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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/TINCR-1-500-257d6493/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TINCR-1-500-257d6493/inputs/seq.fa: 1 curr_seq: _GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACAUGGUGAGAAAGACCUCUGUGACCGUGCCUGCUUCCUCUCGGCUCCAUUAGCUAUGUCGAUAUGUGGUGUGAGCUCCAGCGGUGGCUCUGAGGACUCCCUGCCCUCAUUUCUGUGUAUCUGGCUCUGGCUCAGCACGUCUCUCUGUAUCUGUGUCCUGGUCUCUGUCUCUCUCUGCACACCGCCCCUAUCUGUUUCUUCAUGUCUCCGAGUGUCUCCAUCUCUCUCUCAGUUUCUGUCCACUCAUCUAAGAGGUCGGUGGGAUGAGCAGCCCUGGGCCACUACUGCACUCCCCAUC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1203.531276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.531276 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1468.662109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.662109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.662109 (E_RNA) where: Base-Base interactions energy: -609.802 where: short stacking energy: -609.756 Base-Backbone interact. energy: -0.258 local terms energy: -858.601285 where: bonds (distance) C4'-P energy: -205.135 bonds (distance) P-C4' energy: -187.477 flat angles C4'-P-C4' energy: -192.054 flat angles P-C4'-P energy: -117.087 tors. eta vs tors. theta energy: -156.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1359.928984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.928984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.928984 (E_RNA) where: Base-Base interactions energy: -553.370 where: short stacking energy: -547.188 Base-Backbone interact. energy: -0.159 local terms energy: -806.399228 where: bonds (distance) C4'-P energy: -177.015 bonds (distance) P-C4' energy: -198.814 flat angles C4'-P-C4' energy: -181.045 flat angles P-C4'-P energy: -115.139 tors. eta vs tors. theta energy: -134.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1273.930250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.930250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.930250 (E_RNA) where: Base-Base interactions energy: -513.599 where: short stacking energy: -509.659 Base-Backbone interact. energy: -0.588 local terms energy: -759.743581 where: bonds (distance) C4'-P energy: -179.704 bonds (distance) P-C4' energy: -176.361 flat angles C4'-P-C4' energy: -185.995 flat angles P-C4'-P energy: -100.683 tors. eta vs tors. theta energy: -117.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1222.231073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.231073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.231073 (E_RNA) where: Base-Base interactions energy: -490.706 where: short stacking energy: -489.664 Base-Backbone interact. energy: -0.076 local terms energy: -731.449126 where: bonds (distance) C4'-P energy: -168.656 bonds (distance) P-C4' energy: -178.328 flat angles C4'-P-C4' energy: -169.591 flat angles P-C4'-P energy: -88.299 tors. eta vs tors. theta energy: -126.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1217.121460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.121460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.121460 (E_RNA) where: Base-Base interactions energy: -111.246 where: short stacking energy: -111.246 Base-Backbone interact. energy: -0.000 local terms energy: -1105.875001 where: bonds (distance) C4'-P energy: -260.481 bonds (distance) P-C4' energy: -234.255 flat angles C4'-P-C4' energy: -220.374 flat angles P-C4'-P energy: -243.666 tors. eta vs tors. theta energy: -147.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1210.059133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.059133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.059133 (E_RNA) where: Base-Base interactions energy: -105.415 where: short stacking energy: -105.415 Base-Backbone interact. energy: -0.000 local terms energy: -1104.643366 where: bonds (distance) C4'-P energy: -260.622 bonds (distance) P-C4' energy: -236.875 flat angles C4'-P-C4' energy: -222.071 flat angles P-C4'-P energy: -241.086 tors. eta vs tors. theta energy: -143.989 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1212.985539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.985539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.985539 (E_RNA) where: Base-Base interactions energy: -141.374 where: short stacking energy: -141.374 Base-Backbone interact. energy: -0.000 local terms energy: -1071.610734 where: bonds (distance) C4'-P energy: -246.058 bonds (distance) P-C4' energy: -222.908 flat angles C4'-P-C4' energy: -218.808 flat angles P-C4'-P energy: -236.439 tors. eta vs tors. theta energy: -147.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1214.746204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.746204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.746204 (E_RNA) where: Base-Base interactions energy: -101.995 where: short stacking energy: -101.995 Base-Backbone interact. energy: -0.000 local terms energy: -1112.750386 where: bonds (distance) C4'-P energy: -261.178 bonds (distance) P-C4' energy: -245.882 flat angles C4'-P-C4' energy: -223.220 flat angles P-C4'-P energy: -240.933 tors. eta vs tors. theta energy: -141.538 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1207.194189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.194189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.194189 (E_RNA) where: Base-Base interactions energy: -40.216 where: short stacking energy: -40.216 Base-Backbone interact. energy: -0.000 local terms energy: -1166.978142 where: bonds (distance) C4'-P energy: -291.242 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.671 flat angles P-C4'-P energy: -251.873 tors. eta vs tors. theta energy: -134.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1207.192573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.192573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.192573 (E_RNA) where: Base-Base interactions energy: -40.214 where: short stacking energy: -40.214 Base-Backbone interact. energy: -0.000 local terms energy: -1166.978142 where: bonds (distance) C4'-P energy: -291.242 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.671 flat angles P-C4'-P energy: -251.873 tors. eta vs tors. theta energy: -134.916 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1487.494501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.494501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.494501 (E_RNA) where: Base-Base interactions energy: -642.536 where: short stacking energy: -641.212 Base-Backbone interact. energy: -0.365 local terms energy: -844.593616 where: bonds (distance) C4'-P energy: -189.504 bonds (distance) P-C4' energy: -188.308 flat angles C4'-P-C4' energy: -190.280 flat angles P-C4'-P energy: -119.325 tors. eta vs tors. theta energy: -157.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1416.709830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.709830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.709830 (E_RNA) where: Base-Base interactions energy: -593.810 where: short stacking energy: -591.413 Base-Backbone interact. energy: -0.503 local terms energy: -822.397126 where: bonds (distance) C4'-P energy: -165.001 bonds (distance) P-C4' energy: -197.183 flat angles C4'-P-C4' energy: -174.919 flat angles P-C4'-P energy: -135.041 tors. eta vs tors. theta energy: -150.253 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1360.823821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.823821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.823821 (E_RNA) where: Base-Base interactions energy: -592.741 where: short stacking energy: -576.183 Base-Backbone interact. energy: 1.406 local terms energy: -769.488015 where: bonds (distance) C4'-P energy: -161.832 bonds (distance) P-C4' energy: -188.972 flat angles C4'-P-C4' energy: -176.284 flat angles P-C4'-P energy: -113.637 tors. eta vs tors. theta energy: -128.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1217.651626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.651626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.651626 (E_RNA) where: Base-Base interactions energy: -437.094 where: short stacking energy: -432.596 Base-Backbone interact. energy: -0.446 local terms energy: -780.111239 where: bonds (distance) C4'-P energy: -179.895 bonds (distance) P-C4' energy: -197.587 flat angles C4'-P-C4' energy: -179.639 flat angles P-C4'-P energy: -104.383 tors. eta vs tors. theta energy: -118.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1081.505863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.505863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.505863 (E_RNA) where: Base-Base interactions energy: -416.350 where: short stacking energy: -413.378 Base-Backbone interact. energy: -0.538 local terms energy: -664.617388 where: bonds (distance) C4'-P energy: -152.560 bonds (distance) P-C4' energy: -173.980 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -107.451 tors. eta vs tors. theta energy: -78.178 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1028.772101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.772101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.772101 (E_RNA) where: Base-Base interactions energy: -399.427 where: short stacking energy: -398.069 Base-Backbone interact. energy: -0.550 local terms energy: -628.794883 where: bonds (distance) C4'-P energy: -175.192 bonds (distance) P-C4' energy: -140.749 flat angles C4'-P-C4' energy: -144.267 flat angles P-C4'-P energy: -92.908 tors. eta vs tors. theta energy: -75.677 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -957.195108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.195108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.195108 (E_RNA) where: Base-Base interactions energy: -335.220 where: short stacking energy: -320.647 Base-Backbone interact. energy: 1.090 local terms energy: -623.064908 where: bonds (distance) C4'-P energy: -151.449 bonds (distance) P-C4' energy: -180.918 flat angles C4'-P-C4' energy: -152.706 flat angles P-C4'-P energy: -98.044 tors. eta vs tors. theta energy: -39.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -843.203844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.203844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.203844 (E_RNA) where: Base-Base interactions energy: -307.446 where: short stacking energy: -292.126 Base-Backbone interact. energy: 4.464 local terms energy: -540.221740 where: bonds (distance) C4'-P energy: -154.192 bonds (distance) P-C4' energy: -161.635 flat angles C4'-P-C4' energy: -146.611 flat angles P-C4'-P energy: -69.840 tors. eta vs tors. theta energy: -7.943 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: 3 Temperature: 1.300000 Total energy: -774.378385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.378385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.378385 (E_RNA) where: Base-Base interactions energy: -273.460 where: short stacking energy: -259.471 Base-Backbone interact. energy: 0.189 local terms energy: -501.107813 where: bonds (distance) C4'-P energy: -159.192 bonds (distance) P-C4' energy: -154.902 flat angles C4'-P-C4' energy: -132.093 flat angles P-C4'-P energy: -66.046 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -736.365717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.365717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.365717 (E_RNA) where: Base-Base interactions energy: -248.523 where: short stacking energy: -230.437 Base-Backbone interact. energy: 1.978 local terms energy: -489.820901 where: bonds (distance) C4'-P energy: -127.255 bonds (distance) P-C4' energy: -155.037 flat angles C4'-P-C4' energy: -125.505 flat angles P-C4'-P energy: -74.097 tors. eta vs tors. theta energy: -7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1512.873046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.873046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.873046 (E_RNA) where: Base-Base interactions energy: -649.808 where: short stacking energy: -629.766 Base-Backbone interact. energy: -0.681 local terms energy: -862.384673 where: bonds (distance) C4'-P energy: -189.129 bonds (distance) P-C4' energy: -184.479 flat angles C4'-P-C4' energy: -202.331 flat angles P-C4'-P energy: -121.047 tors. eta vs tors. theta energy: -165.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1432.684701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.684701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.684701 (E_RNA) where: Base-Base interactions energy: -625.445 where: short stacking energy: -597.020 Base-Backbone interact. energy: -0.651 local terms energy: -806.588276 where: bonds (distance) C4'-P energy: -172.436 bonds (distance) P-C4' energy: -186.703 flat angles C4'-P-C4' energy: -198.953 flat angles P-C4'-P energy: -110.146 tors. eta vs tors. theta energy: -138.351 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1338.670892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.670892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.670892 (E_RNA) where: Base-Base interactions energy: -579.797 where: short stacking energy: -536.856 Base-Backbone interact. energy: -0.429 local terms energy: -758.444371 where: bonds (distance) C4'-P energy: -161.684 bonds (distance) P-C4' energy: -175.641 flat angles C4'-P-C4' energy: -189.043 flat angles P-C4'-P energy: -105.519 tors. eta vs tors. theta energy: -126.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1178.739094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.739094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.739094 (E_RNA) where: Base-Base interactions energy: -442.332 where: short stacking energy: -421.585 Base-Backbone interact. energy: -1.845 local terms energy: -734.561748 where: bonds (distance) C4'-P energy: -165.977 bonds (distance) P-C4' energy: -174.166 flat angles C4'-P-C4' energy: -173.619 flat angles P-C4'-P energy: -122.518 tors. eta vs tors. theta energy: -98.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1127.729924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.729924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.729924 (E_RNA) where: Base-Base interactions energy: -442.124 where: short stacking energy: -420.058 Base-Backbone interact. energy: 3.548 local terms energy: -689.153350 where: bonds (distance) C4'-P energy: -166.469 bonds (distance) P-C4' energy: -195.289 flat angles C4'-P-C4' energy: -153.851 flat angles P-C4'-P energy: -92.711 tors. eta vs tors. theta energy: -80.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -975.745313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.745313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.745313 (E_RNA) where: Base-Base interactions energy: -377.805 where: short stacking energy: -332.350 Base-Backbone interact. energy: 2.496 local terms energy: -600.437265 where: bonds (distance) C4'-P energy: -178.899 bonds (distance) P-C4' energy: -167.871 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -82.111 tors. eta vs tors. theta energy: -20.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -899.060929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.060929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.060929 (E_RNA) where: Base-Base interactions energy: -328.716 where: short stacking energy: -324.066 Base-Backbone interact. energy: -1.211 local terms energy: -569.134217 where: bonds (distance) C4'-P energy: -146.431 bonds (distance) P-C4' energy: -165.438 flat angles C4'-P-C4' energy: -150.008 flat angles P-C4'-P energy: -86.965 tors. eta vs tors. theta energy: -20.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -904.176981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.176981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.176981 (E_RNA) where: Base-Base interactions energy: -352.872 where: short stacking energy: -270.267 Base-Backbone interact. energy: 1.259 local terms energy: -552.564179 where: bonds (distance) C4'-P energy: -144.625 bonds (distance) P-C4' energy: -155.482 flat angles C4'-P-C4' energy: -127.169 flat angles P-C4'-P energy: -96.848 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -831.489412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.489412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.489412 (E_RNA) where: Base-Base interactions energy: -297.429 where: short stacking energy: -227.684 Base-Backbone interact. energy: -1.506 local terms energy: -532.554278 where: bonds (distance) C4'-P energy: -148.215 bonds (distance) P-C4' energy: -161.170 flat angles C4'-P-C4' energy: -145.734 flat angles P-C4'-P energy: -84.726 tors. eta vs tors. theta energy: 7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -678.948872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.948872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.948872 (E_RNA) where: Base-Base interactions energy: -199.556 where: short stacking energy: -192.010 Base-Backbone interact. energy: 3.684 local terms energy: -483.077206 where: bonds (distance) C4'-P energy: -146.988 bonds (distance) P-C4' energy: -162.482 flat angles C4'-P-C4' energy: -129.758 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: 25.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1566.426715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.426715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.426715 (E_RNA) where: Base-Base interactions energy: -704.322 where: short stacking energy: -683.141 Base-Backbone interact. energy: -0.764 local terms energy: -861.340870 where: bonds (distance) C4'-P energy: -179.548 bonds (distance) P-C4' energy: -191.160 flat angles C4'-P-C4' energy: -205.506 flat angles P-C4'-P energy: -111.501 tors. eta vs tors. theta energy: -173.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1434.461925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.461925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.461925 (E_RNA) where: Base-Base interactions energy: -643.008 where: short stacking energy: -612.623 Base-Backbone interact. energy: -0.870 local terms energy: -790.583880 where: bonds (distance) C4'-P energy: -151.005 bonds (distance) P-C4' energy: -183.888 flat angles C4'-P-C4' energy: -180.459 flat angles P-C4'-P energy: -113.864 tors. eta vs tors. theta energy: -161.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1325.893587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.893587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.893587 (E_RNA) where: Base-Base interactions energy: -566.119 where: short stacking energy: -531.325 Base-Backbone interact. energy: -0.966 local terms energy: -758.808604 where: bonds (distance) C4'-P energy: -166.672 bonds (distance) P-C4' energy: -189.004 flat angles C4'-P-C4' energy: -191.458 flat angles P-C4'-P energy: -99.892 tors. eta vs tors. theta energy: -111.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1184.383244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.383244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.383244 (E_RNA) where: Base-Base interactions energy: -502.925 where: short stacking energy: -467.942 Base-Backbone interact. energy: 4.266 local terms energy: -685.724651 where: bonds (distance) C4'-P energy: -156.627 bonds (distance) P-C4' energy: -184.481 flat angles C4'-P-C4' energy: -153.902 flat angles P-C4'-P energy: -106.308 tors. eta vs tors. theta energy: -84.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1108.430881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.430881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.430881 (E_RNA) where: Base-Base interactions energy: -450.437 where: short stacking energy: -424.272 Base-Backbone interact. energy: -0.050 local terms energy: -657.944066 where: bonds (distance) C4'-P energy: -169.159 bonds (distance) P-C4' energy: -171.097 flat angles C4'-P-C4' energy: -151.029 flat angles P-C4'-P energy: -97.491 tors. eta vs tors. theta energy: -69.168 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: 5 Temperature: 1.150000 Total energy: -987.619611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.619611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.619611 (E_RNA) where: Base-Base interactions energy: -372.859 where: short stacking energy: -335.376 Base-Backbone interact. energy: 2.422 local terms energy: -617.182839 where: bonds (distance) C4'-P energy: -166.371 bonds (distance) P-C4' energy: -177.513 flat angles C4'-P-C4' energy: -158.093 flat angles P-C4'-P energy: -76.480 tors. eta vs tors. theta energy: -38.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -930.053316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.053316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.053316 (E_RNA) where: Base-Base interactions energy: -332.220 where: short stacking energy: -303.601 Base-Backbone interact. energy: -3.628 local terms energy: -594.205168 where: bonds (distance) C4'-P energy: -168.228 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -132.430 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -37.611 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -852.052370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.052370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.052370 (E_RNA) where: Base-Base interactions energy: -336.161 where: short stacking energy: -264.524 Base-Backbone interact. energy: -2.317 local terms energy: -513.574373 where: bonds (distance) C4'-P energy: -146.309 bonds (distance) P-C4' energy: -151.747 flat angles C4'-P-C4' energy: -120.571 flat angles P-C4'-P energy: -86.704 tors. eta vs tors. theta energy: -8.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -792.575821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.575821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.575821 (E_RNA) where: Base-Base interactions energy: -281.214 where: short stacking energy: -222.283 Base-Backbone interact. energy: -1.742 local terms energy: -509.620484 where: bonds (distance) C4'-P energy: -151.794 bonds (distance) P-C4' energy: -167.973 flat angles C4'-P-C4' energy: -126.895 flat angles P-C4'-P energy: -86.114 tors. eta vs tors. theta energy: 23.155 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: 5 Temperature: 1.350000 Total energy: -714.700500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.700500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.700500 (E_RNA) where: Base-Base interactions energy: -264.773 where: short stacking energy: -210.355 Base-Backbone interact. energy: -1.435 local terms energy: -448.492055 where: bonds (distance) C4'-P energy: -145.163 bonds (distance) P-C4' energy: -135.335 flat angles C4'-P-C4' energy: -119.637 flat angles P-C4'-P energy: -86.257 tors. eta vs tors. theta energy: 37.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1546.363814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.363814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.363814 (E_RNA) where: Base-Base interactions energy: -648.550 where: short stacking energy: -639.993 Base-Backbone interact. energy: 0.256 local terms energy: -898.069528 where: bonds (distance) C4'-P energy: -184.443 bonds (distance) P-C4' energy: -212.138 flat angles C4'-P-C4' energy: -183.058 flat angles P-C4'-P energy: -143.328 tors. eta vs tors. theta energy: -175.102 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: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1478.531454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.531454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.531454 (E_RNA) where: Base-Base interactions energy: -641.872 where: short stacking energy: -613.270 Base-Backbone interact. energy: -2.132 local terms energy: -834.526987 where: bonds (distance) C4'-P energy: -152.905 bonds (distance) P-C4' energy: -198.497 flat angles C4'-P-C4' energy: -189.596 flat angles P-C4'-P energy: -134.118 tors. eta vs tors. theta energy: -159.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1351.469801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.469801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.469801 (E_RNA) where: Base-Base interactions energy: -598.605 where: short stacking energy: -552.469 Base-Backbone interact. energy: 0.897 local terms energy: -753.762433 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -187.660 flat angles C4'-P-C4' energy: -185.967 flat angles P-C4'-P energy: -100.012 tors. eta vs tors. theta energy: -124.888 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1234.123069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.123069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.123069 (E_RNA) where: Base-Base interactions energy: -497.291 where: short stacking energy: -449.658 Base-Backbone interact. energy: -1.791 local terms energy: -735.041135 where: bonds (distance) C4'-P energy: -180.079 bonds (distance) P-C4' energy: -199.076 flat angles C4'-P-C4' energy: -168.264 flat angles P-C4'-P energy: -97.162 tors. eta vs tors. theta energy: -90.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1126.465680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.465680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.465680 (E_RNA) where: Base-Base interactions energy: -489.547 where: short stacking energy: -412.174 Base-Backbone interact. energy: -2.317 local terms energy: -634.602140 where: bonds (distance) C4'-P energy: -165.952 bonds (distance) P-C4' energy: -158.854 flat angles C4'-P-C4' energy: -153.719 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -62.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -983.993898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.993898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.993898 (E_RNA) where: Base-Base interactions energy: -387.618 where: short stacking energy: -357.641 Base-Backbone interact. energy: -2.866 local terms energy: -593.509682 where: bonds (distance) C4'-P energy: -172.705 bonds (distance) P-C4' energy: -158.938 flat angles C4'-P-C4' energy: -149.880 flat angles P-C4'-P energy: -82.202 tors. eta vs tors. theta energy: -29.785 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: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -881.672271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.672271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.672271 (E_RNA) where: Base-Base interactions energy: -315.958 where: short stacking energy: -305.682 Base-Backbone interact. energy: 1.324 local terms energy: -567.037679 where: bonds (distance) C4'-P energy: -149.713 bonds (distance) P-C4' energy: -172.175 flat angles C4'-P-C4' energy: -146.257 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -25.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -911.726614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.726614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.726614 (E_RNA) where: Base-Base interactions energy: -349.569 where: short stacking energy: -278.227 Base-Backbone interact. energy: 3.232 local terms energy: -565.389487 where: bonds (distance) C4'-P energy: -170.869 bonds (distance) P-C4' energy: -170.659 flat angles C4'-P-C4' energy: -121.231 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -10.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -741.509529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.509529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.509529 (E_RNA) where: Base-Base interactions energy: -280.159 where: short stacking energy: -256.202 Base-Backbone interact. energy: -0.249 local terms energy: -461.102106 where: bonds (distance) C4'-P energy: -152.470 bonds (distance) P-C4' energy: -157.913 flat angles C4'-P-C4' energy: -120.689 flat angles P-C4'-P energy: -47.476 tors. eta vs tors. theta energy: 17.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -692.628700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.628700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.628700 (E_RNA) where: Base-Base interactions energy: -214.920 where: short stacking energy: -185.583 Base-Backbone interact. energy: -2.330 local terms energy: -475.378589 where: bonds (distance) C4'-P energy: -150.077 bonds (distance) P-C4' energy: -169.676 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -40.055 tors. eta vs tors. theta energy: 17.976 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1625.402209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.402209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.402209 (E_RNA) where: Base-Base interactions energy: -753.714 where: short stacking energy: -677.453 Base-Backbone interact. energy: -0.898 local terms energy: -870.790336 where: bonds (distance) C4'-P energy: -168.528 bonds (distance) P-C4' energy: -200.978 flat angles C4'-P-C4' energy: -196.502 flat angles P-C4'-P energy: -129.227 tors. eta vs tors. theta energy: -175.556 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: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1499.468506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.468506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.468506 (E_RNA) where: Base-Base interactions energy: -662.038 where: short stacking energy: -632.635 Base-Backbone interact. energy: 1.353 local terms energy: -838.783526 where: bonds (distance) C4'-P energy: -164.222 bonds (distance) P-C4' energy: -189.164 flat angles C4'-P-C4' energy: -198.790 flat angles P-C4'-P energy: -128.442 tors. eta vs tors. theta energy: -158.166 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: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1362.945917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.945917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.945917 (E_RNA) where: Base-Base interactions energy: -601.495 where: short stacking energy: -542.245 Base-Backbone interact. energy: -1.201 local terms energy: -760.249193 where: bonds (distance) C4'-P energy: -170.038 bonds (distance) P-C4' energy: -167.760 flat angles C4'-P-C4' energy: -196.236 flat angles P-C4'-P energy: -111.865 tors. eta vs tors. theta energy: -114.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1234.254777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.254777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.254777 (E_RNA) where: Base-Base interactions energy: -516.162 where: short stacking energy: -457.078 Base-Backbone interact. energy: -1.005 local terms energy: -717.087485 where: bonds (distance) C4'-P energy: -154.688 bonds (distance) P-C4' energy: -185.926 flat angles C4'-P-C4' energy: -177.328 flat angles P-C4'-P energy: -110.996 tors. eta vs tors. theta energy: -88.151 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: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1161.278093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.278093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.278093 (E_RNA) where: Base-Base interactions energy: -494.074 where: short stacking energy: -402.421 Base-Backbone interact. energy: -0.599 local terms energy: -666.604916 where: bonds (distance) C4'-P energy: -172.173 bonds (distance) P-C4' energy: -169.081 flat angles C4'-P-C4' energy: -160.425 flat angles P-C4'-P energy: -100.796 tors. eta vs tors. theta energy: -64.130 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: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1110.648621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.648621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.648621 (E_RNA) where: Base-Base interactions energy: -494.564 where: short stacking energy: -373.252 Base-Backbone interact. energy: 0.862 local terms energy: -616.946352 where: bonds (distance) C4'-P energy: -155.443 bonds (distance) P-C4' energy: -170.916 flat angles C4'-P-C4' energy: -157.030 flat angles P-C4'-P energy: -86.489 tors. eta vs tors. theta energy: -47.069 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -959.915839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.915839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.915839 (E_RNA) where: Base-Base interactions energy: -394.454 where: short stacking energy: -322.212 Base-Backbone interact. energy: 1.829 local terms energy: -567.291176 where: bonds (distance) C4'-P energy: -158.546 bonds (distance) P-C4' energy: -158.377 flat angles C4'-P-C4' energy: -138.876 flat angles P-C4'-P energy: -84.607 tors. eta vs tors. theta energy: -26.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -878.136944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.136944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.136944 (E_RNA) where: Base-Base interactions energy: -383.445 where: short stacking energy: -300.937 Base-Backbone interact. energy: -2.770 local terms energy: -491.921881 where: bonds (distance) C4'-P energy: -131.111 bonds (distance) P-C4' energy: -142.165 flat angles C4'-P-C4' energy: -130.552 flat angles P-C4'-P energy: -77.946 tors. eta vs tors. theta energy: -10.148 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -775.781310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.781310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.781310 (E_RNA) where: Base-Base interactions energy: -302.099 where: short stacking energy: -245.153 Base-Backbone interact. energy: -1.181 local terms energy: -472.501852 where: bonds (distance) C4'-P energy: -137.490 bonds (distance) P-C4' energy: -149.576 flat angles C4'-P-C4' energy: -122.518 flat angles P-C4'-P energy: -70.782 tors. eta vs tors. theta energy: 7.865 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: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -681.027752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.027752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.027752 (E_RNA) where: Base-Base interactions energy: -255.543 where: short stacking energy: -215.593 Base-Backbone interact. energy: 6.349 local terms energy: -431.833028 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -150.394 flat angles C4'-P-C4' energy: -103.491 flat angles P-C4'-P energy: -68.001 tors. eta vs tors. theta energy: 28.007 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: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1690.851652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.851652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.851652 (E_RNA) where: Base-Base interactions energy: -777.044 where: short stacking energy: -707.048 Base-Backbone interact. energy: -0.557 local terms energy: -913.250179 where: bonds (distance) C4'-P energy: -173.478 bonds (distance) P-C4' energy: -188.498 flat angles C4'-P-C4' energy: -205.921 flat angles P-C4'-P energy: -143.474 tors. eta vs tors. theta energy: -201.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1551.226811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.226811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.226811 (E_RNA) where: Base-Base interactions energy: -743.413 where: short stacking energy: -642.839 Base-Backbone interact. energy: -1.372 local terms energy: -806.441767 where: bonds (distance) C4'-P energy: -163.995 bonds (distance) P-C4' energy: -179.120 flat angles C4'-P-C4' energy: -172.514 flat angles P-C4'-P energy: -115.741 tors. eta vs tors. theta energy: -175.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1348.186689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.186689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.186689 (E_RNA) where: Base-Base interactions energy: -595.439 where: short stacking energy: -522.233 Base-Backbone interact. energy: -1.143 local terms energy: -751.604588 where: bonds (distance) C4'-P energy: -160.380 bonds (distance) P-C4' energy: -170.314 flat angles C4'-P-C4' energy: -193.718 flat angles P-C4'-P energy: -115.741 tors. eta vs tors. theta energy: -111.451 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: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1305.709398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.709398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.709398 (E_RNA) where: Base-Base interactions energy: -616.138 where: short stacking energy: -502.218 Base-Backbone interact. energy: -0.753 local terms energy: -688.818789 where: bonds (distance) C4'-P energy: -163.394 bonds (distance) P-C4' energy: -155.606 flat angles C4'-P-C4' energy: -163.779 flat angles P-C4'-P energy: -107.881 tors. eta vs tors. theta energy: -98.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1158.833732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.833732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.833732 (E_RNA) where: Base-Base interactions energy: -524.362 where: short stacking energy: -425.212 Base-Backbone interact. energy: -1.062 local terms energy: -633.409019 where: bonds (distance) C4'-P energy: -162.381 bonds (distance) P-C4' energy: -161.705 flat angles C4'-P-C4' energy: -167.561 flat angles P-C4'-P energy: -95.222 tors. eta vs tors. theta energy: -46.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1150.401681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.401681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.401681 (E_RNA) where: Base-Base interactions energy: -539.864 where: short stacking energy: -391.383 Base-Backbone interact. energy: -3.714 local terms energy: -606.823751 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -154.280 flat angles C4'-P-C4' energy: -157.204 flat angles P-C4'-P energy: -88.567 tors. eta vs tors. theta energy: -59.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -933.423066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.423066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.423066 (E_RNA) where: Base-Base interactions energy: -377.167 where: short stacking energy: -289.737 Base-Backbone interact. energy: -2.650 local terms energy: -553.605582 where: bonds (distance) C4'-P energy: -175.338 bonds (distance) P-C4' energy: -167.664 flat angles C4'-P-C4' energy: -137.607 flat angles P-C4'-P energy: -83.294 tors. eta vs tors. theta energy: 10.298 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: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -889.615470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.615470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.615470 (E_RNA) where: Base-Base interactions energy: -368.801 where: short stacking energy: -287.088 Base-Backbone interact. energy: -2.283 local terms energy: -518.531877 where: bonds (distance) C4'-P energy: -149.030 bonds (distance) P-C4' energy: -150.995 flat angles C4'-P-C4' energy: -139.543 flat angles P-C4'-P energy: -80.139 tors. eta vs tors. theta energy: 1.175 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: 8 Temperature: 1.300000 Total energy: -719.982692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.982692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.982692 (E_RNA) where: Base-Base interactions energy: -248.794 where: short stacking energy: -224.259 Base-Backbone interact. energy: 1.090 local terms energy: -472.277751 where: bonds (distance) C4'-P energy: -146.597 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -121.086 flat angles P-C4'-P energy: -76.742 tors. eta vs tors. theta energy: 24.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -681.100275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.100275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.100275 (E_RNA) where: Base-Base interactions energy: -229.786 where: short stacking energy: -176.694 Base-Backbone interact. energy: -0.273 local terms energy: -451.040645 where: bonds (distance) C4'-P energy: -162.115 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -113.771 flat angles P-C4'-P energy: -76.516 tors. eta vs tors. theta energy: 37.566 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1711.209965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.209965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.209965 (E_RNA) where: Base-Base interactions energy: -839.628 where: short stacking energy: -697.567 Base-Backbone interact. energy: 2.601 local terms energy: -874.183306 where: bonds (distance) C4'-P energy: -187.357 bonds (distance) P-C4' energy: -181.038 flat angles C4'-P-C4' energy: -188.354 flat angles P-C4'-P energy: -133.693 tors. eta vs tors. theta energy: -183.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1606.269950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.269950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.269950 (E_RNA) where: Base-Base interactions energy: -795.976 where: short stacking energy: -648.387 Base-Backbone interact. energy: -0.729 local terms energy: -809.564676 where: bonds (distance) C4'-P energy: -175.112 bonds (distance) P-C4' energy: -199.919 flat angles C4'-P-C4' energy: -195.869 flat angles P-C4'-P energy: -110.317 tors. eta vs tors. theta energy: -128.349 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: 9 Temperature: 1.000000 Total energy: -1470.302823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.302823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.302823 (E_RNA) where: Base-Base interactions energy: -714.283 where: short stacking energy: -539.779 Base-Backbone interact. energy: -2.150 local terms energy: -753.870048 where: bonds (distance) C4'-P energy: -160.117 bonds (distance) P-C4' energy: -199.940 flat angles C4'-P-C4' energy: -185.054 flat angles P-C4'-P energy: -103.672 tors. eta vs tors. theta energy: -105.087 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: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1296.832982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.832982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.832982 (E_RNA) where: Base-Base interactions energy: -586.906 where: short stacking energy: -463.545 Base-Backbone interact. energy: -2.451 local terms energy: -707.475895 where: bonds (distance) C4'-P energy: -152.444 bonds (distance) P-C4' energy: -169.563 flat angles C4'-P-C4' energy: -179.569 flat angles P-C4'-P energy: -125.692 tors. eta vs tors. theta energy: -80.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1201.225081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.225081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.225081 (E_RNA) where: Base-Base interactions energy: -541.391 where: short stacking energy: -417.936 Base-Backbone interact. energy: 0.070 local terms energy: -659.903974 where: bonds (distance) C4'-P energy: -161.193 bonds (distance) P-C4' energy: -181.112 flat angles C4'-P-C4' energy: -164.031 flat angles P-C4'-P energy: -93.858 tors. eta vs tors. theta energy: -59.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1154.135058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.135058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.135058 (E_RNA) where: Base-Base interactions energy: -513.599 where: short stacking energy: -364.753 Base-Backbone interact. energy: 6.391 local terms energy: -646.927110 where: bonds (distance) C4'-P energy: -154.263 bonds (distance) P-C4' energy: -175.218 flat angles C4'-P-C4' energy: -160.840 flat angles P-C4'-P energy: -83.535 tors. eta vs tors. theta energy: -73.070 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: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -937.647806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.647806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.647806 (E_RNA) where: Base-Base interactions energy: -383.300 where: short stacking energy: -314.523 Base-Backbone interact. energy: -1.073 local terms energy: -553.275115 where: bonds (distance) C4'-P energy: -156.477 bonds (distance) P-C4' energy: -145.224 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -87.211 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -881.591959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.591959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.591959 (E_RNA) where: Base-Base interactions energy: -335.919 where: short stacking energy: -254.280 Base-Backbone interact. energy: -1.642 local terms energy: -544.031094 where: bonds (distance) C4'-P energy: -168.449 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -141.007 flat angles P-C4'-P energy: -70.936 tors. eta vs tors. theta energy: -10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -794.690419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.690419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.690419 (E_RNA) where: Base-Base interactions energy: -305.867 where: short stacking energy: -224.573 Base-Backbone interact. energy: 5.462 local terms energy: -494.285036 where: bonds (distance) C4'-P energy: -154.244 bonds (distance) P-C4' energy: -150.777 flat angles C4'-P-C4' energy: -111.999 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: 21.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -674.741209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.741209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.741209 (E_RNA) where: Base-Base interactions energy: -217.176 where: short stacking energy: -197.391 Base-Backbone interact. energy: -1.285 local terms energy: -456.279804 where: bonds (distance) C4'-P energy: -133.241 bonds (distance) P-C4' energy: -163.127 flat angles C4'-P-C4' energy: -139.276 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: 32.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1748.431422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.431422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.431422 (E_RNA) where: Base-Base interactions energy: -873.072 where: short stacking energy: -688.776 Base-Backbone interact. energy: -0.867 local terms energy: -874.492315 where: bonds (distance) C4'-P energy: -190.792 bonds (distance) P-C4' energy: -193.632 flat angles C4'-P-C4' energy: -191.157 flat angles P-C4'-P energy: -133.196 tors. eta vs tors. theta energy: -165.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1567.538394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.538394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.538394 (E_RNA) where: Base-Base interactions energy: -756.138 where: short stacking energy: -617.966 Base-Backbone interact. energy: -0.747 local terms energy: -810.654206 where: bonds (distance) C4'-P energy: -176.246 bonds (distance) P-C4' energy: -169.712 flat angles C4'-P-C4' energy: -192.272 flat angles P-C4'-P energy: -127.498 tors. eta vs tors. theta energy: -144.926 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: 10 Temperature: 1.000000 Total energy: -1527.735863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.735863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.735863 (E_RNA) where: Base-Base interactions energy: -796.340 where: short stacking energy: -513.777 Base-Backbone interact. energy: -0.836 local terms energy: -730.560302 where: bonds (distance) C4'-P energy: -163.527 bonds (distance) P-C4' energy: -197.441 flat angles C4'-P-C4' energy: -162.734 flat angles P-C4'-P energy: -100.786 tors. eta vs tors. theta energy: -106.072 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: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1341.399719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.399719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.399719 (E_RNA) where: Base-Base interactions energy: -633.424 where: short stacking energy: -492.057 Base-Backbone interact. energy: -0.499 local terms energy: -707.476735 where: bonds (distance) C4'-P energy: -178.107 bonds (distance) P-C4' energy: -174.675 flat angles C4'-P-C4' energy: -153.921 flat angles P-C4'-P energy: -102.587 tors. eta vs tors. theta energy: -98.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1286.814971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.814971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.814971 (E_RNA) where: Base-Base interactions energy: -601.030 where: short stacking energy: -429.245 Base-Backbone interact. energy: 0.207 local terms energy: -685.991190 where: bonds (distance) C4'-P energy: -162.370 bonds (distance) P-C4' energy: -179.958 flat angles C4'-P-C4' energy: -154.631 flat angles P-C4'-P energy: -120.914 tors. eta vs tors. theta energy: -68.118 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: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1171.840254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.840254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.840254 (E_RNA) where: Base-Base interactions energy: -536.280 where: short stacking energy: -369.458 Base-Backbone interact. energy: 0.332 local terms energy: -635.892210 where: bonds (distance) C4'-P energy: -156.159 bonds (distance) P-C4' energy: -171.883 flat angles C4'-P-C4' energy: -165.936 flat angles P-C4'-P energy: -96.130 tors. eta vs tors. theta energy: -45.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1039.563773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.563773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.563773 (E_RNA) where: Base-Base interactions energy: -437.242 where: short stacking energy: -309.357 Base-Backbone interact. energy: -1.488 local terms energy: -600.833432 where: bonds (distance) C4'-P energy: -145.232 bonds (distance) P-C4' energy: -164.188 flat angles C4'-P-C4' energy: -158.158 flat angles P-C4'-P energy: -98.410 tors. eta vs tors. theta energy: -34.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -862.921322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.921322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.921322 (E_RNA) where: Base-Base interactions energy: -333.430 where: short stacking energy: -290.161 Base-Backbone interact. energy: 1.920 local terms energy: -531.411108 where: bonds (distance) C4'-P energy: -136.963 bonds (distance) P-C4' energy: -157.115 flat angles C4'-P-C4' energy: -130.671 flat angles P-C4'-P energy: -89.892 tors. eta vs tors. theta energy: -16.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -897.147726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.147726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.147726 (E_RNA) where: Base-Base interactions energy: -369.457 where: short stacking energy: -273.484 Base-Backbone interact. energy: -2.897 local terms energy: -524.793792 where: bonds (distance) C4'-P energy: -165.907 bonds (distance) P-C4' energy: -155.024 flat angles C4'-P-C4' energy: -132.640 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -13.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -678.815445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.815445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.815445 (E_RNA) where: Base-Base interactions energy: -242.025 where: short stacking energy: -211.051 Base-Backbone interact. energy: -2.168 local terms energy: -434.622770 where: bonds (distance) C4'-P energy: -150.644 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -120.496 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: 24.848 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: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1733.491020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.491020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.491020 (E_RNA) where: Base-Base interactions energy: -881.691 where: short stacking energy: -687.331 Base-Backbone interact. energy: -4.315 local terms energy: -847.484801 where: bonds (distance) C4'-P energy: -168.607 bonds (distance) P-C4' energy: -190.181 flat angles C4'-P-C4' energy: -191.053 flat angles P-C4'-P energy: -135.036 tors. eta vs tors. theta energy: -162.608 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1608.593924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.593924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.593924 (E_RNA) where: Base-Base interactions energy: -762.780 where: short stacking energy: -623.509 Base-Backbone interact. energy: 0.417 local terms energy: -846.230567 where: bonds (distance) C4'-P energy: -183.378 bonds (distance) P-C4' energy: -184.914 flat angles C4'-P-C4' energy: -195.213 flat angles P-C4'-P energy: -112.305 tors. eta vs tors. theta energy: -170.420 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: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1598.354047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.354047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.354047 (E_RNA) where: Base-Base interactions energy: -819.790 where: short stacking energy: -595.696 Base-Backbone interact. energy: 1.218 local terms energy: -779.781125 where: bonds (distance) C4'-P energy: -159.596 bonds (distance) P-C4' energy: -171.635 flat angles C4'-P-C4' energy: -204.072 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -146.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1377.695066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.695066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.695066 (E_RNA) where: Base-Base interactions energy: -652.773 where: short stacking energy: -501.845 Base-Backbone interact. energy: -0.112 local terms energy: -724.809892 where: bonds (distance) C4'-P energy: -171.464 bonds (distance) P-C4' energy: -187.163 flat angles C4'-P-C4' energy: -164.399 flat angles P-C4'-P energy: -91.544 tors. eta vs tors. theta energy: -110.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1362.482559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.482559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.482559 (E_RNA) where: Base-Base interactions energy: -666.638 where: short stacking energy: -459.552 Base-Backbone interact. energy: -2.551 local terms energy: -693.293322 where: bonds (distance) C4'-P energy: -170.186 bonds (distance) P-C4' energy: -180.567 flat angles C4'-P-C4' energy: -169.221 flat angles P-C4'-P energy: -100.904 tors. eta vs tors. theta energy: -72.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1084.627118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.627118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.627118 (E_RNA) where: Base-Base interactions energy: -452.682 where: short stacking energy: -358.007 Base-Backbone interact. energy: -1.244 local terms energy: -630.700979 where: bonds (distance) C4'-P energy: -169.937 bonds (distance) P-C4' energy: -171.626 flat angles C4'-P-C4' energy: -158.544 flat angles P-C4'-P energy: -88.250 tors. eta vs tors. theta energy: -42.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1081.355691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.355691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.355691 (E_RNA) where: Base-Base interactions energy: -500.629 where: short stacking energy: -345.935 Base-Backbone interact. energy: -4.047 local terms energy: -576.679525 where: bonds (distance) C4'-P energy: -153.975 bonds (distance) P-C4' energy: -159.180 flat angles C4'-P-C4' energy: -143.008 flat angles P-C4'-P energy: -111.874 tors. eta vs tors. theta energy: -8.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -860.982263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.982263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.982263 (E_RNA) where: Base-Base interactions energy: -329.126 where: short stacking energy: -253.500 Base-Backbone interact. energy: 2.641 local terms energy: -534.496914 where: bonds (distance) C4'-P energy: -134.249 bonds (distance) P-C4' energy: -177.697 flat angles C4'-P-C4' energy: -160.073 flat angles P-C4'-P energy: -85.402 tors. eta vs tors. theta energy: 22.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -901.282907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.282907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.282907 (E_RNA) where: Base-Base interactions energy: -369.182 where: short stacking energy: -280.073 Base-Backbone interact. energy: -0.442 local terms energy: -531.659420 where: bonds (distance) C4'-P energy: -152.937 bonds (distance) P-C4' energy: -132.870 flat angles C4'-P-C4' energy: -141.721 flat angles P-C4'-P energy: -91.143 tors. eta vs tors. theta energy: -12.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -690.857682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.857682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.857682 (E_RNA) where: Base-Base interactions energy: -255.047 where: short stacking energy: -190.090 Base-Backbone interact. energy: -0.879 local terms energy: -434.932041 where: bonds (distance) C4'-P energy: -128.561 bonds (distance) P-C4' energy: -154.397 flat angles C4'-P-C4' energy: -135.453 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: 31.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1781.818395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.818395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.818395 (E_RNA) where: Base-Base interactions energy: -907.423 where: short stacking energy: -711.638 Base-Backbone interact. energy: -0.404 local terms energy: -873.991099 where: bonds (distance) C4'-P energy: -186.451 bonds (distance) P-C4' energy: -174.565 flat angles C4'-P-C4' energy: -206.167 flat angles P-C4'-P energy: -114.097 tors. eta vs tors. theta energy: -192.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1671.538590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.538590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.538590 (E_RNA) where: Base-Base interactions energy: -868.465 where: short stacking energy: -624.565 Base-Backbone interact. energy: -1.119 local terms energy: -801.955352 where: bonds (distance) C4'-P energy: -147.629 bonds (distance) P-C4' energy: -192.770 flat angles C4'-P-C4' energy: -190.883 flat angles P-C4'-P energy: -109.639 tors. eta vs tors. theta energy: -161.034 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: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1631.506553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.506553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.506553 (E_RNA) where: Base-Base interactions energy: -845.190 where: short stacking energy: -599.484 Base-Backbone interact. energy: 0.004 local terms energy: -786.320543 where: bonds (distance) C4'-P energy: -188.604 bonds (distance) P-C4' energy: -176.851 flat angles C4'-P-C4' energy: -179.399 flat angles P-C4'-P energy: -117.441 tors. eta vs tors. theta energy: -124.025 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: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1456.702982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.702982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.702982 (E_RNA) where: Base-Base interactions energy: -737.045 where: short stacking energy: -540.343 Base-Backbone interact. energy: -1.354 local terms energy: -718.303901 where: bonds (distance) C4'-P energy: -163.631 bonds (distance) P-C4' energy: -169.054 flat angles C4'-P-C4' energy: -182.988 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -112.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1416.420584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.420584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.420584 (E_RNA) where: Base-Base interactions energy: -756.521 where: short stacking energy: -487.875 Base-Backbone interact. energy: -0.916 local terms energy: -658.983213 where: bonds (distance) C4'-P energy: -146.344 bonds (distance) P-C4' energy: -163.267 flat angles C4'-P-C4' energy: -170.123 flat angles P-C4'-P energy: -98.391 tors. eta vs tors. theta energy: -80.859 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: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1141.028469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.028469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.028469 (E_RNA) where: Base-Base interactions energy: -533.758 where: short stacking energy: -336.145 Base-Backbone interact. energy: 3.855 local terms energy: -611.125128 where: bonds (distance) C4'-P energy: -154.050 bonds (distance) P-C4' energy: -166.615 flat angles C4'-P-C4' energy: -145.230 flat angles P-C4'-P energy: -96.943 tors. eta vs tors. theta energy: -48.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1012.910292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.910292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.910292 (E_RNA) where: Base-Base interactions energy: -437.123 where: short stacking energy: -314.894 Base-Backbone interact. energy: -0.400 local terms energy: -575.386868 where: bonds (distance) C4'-P energy: -148.349 bonds (distance) P-C4' energy: -166.457 flat angles C4'-P-C4' energy: -147.887 flat angles P-C4'-P energy: -79.884 tors. eta vs tors. theta energy: -32.810 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: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -865.139881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.139881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.139881 (E_RNA) where: Base-Base interactions energy: -344.092 where: short stacking energy: -259.059 Base-Backbone interact. energy: -1.632 local terms energy: -519.416146 where: bonds (distance) C4'-P energy: -158.327 bonds (distance) P-C4' energy: -153.384 flat angles C4'-P-C4' energy: -137.637 flat angles P-C4'-P energy: -80.058 tors. eta vs tors. theta energy: 9.990 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: 12 Temperature: 1.300000 Total energy: -848.284874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.284874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.284874 (E_RNA) where: Base-Base interactions energy: -358.636 where: short stacking energy: -245.184 Base-Backbone interact. energy: 2.999 local terms energy: -492.647985 where: bonds (distance) C4'-P energy: -140.906 bonds (distance) P-C4' energy: -161.639 flat angles C4'-P-C4' energy: -124.568 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: -8.876 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: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -711.958964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.958964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.958964 (E_RNA) where: Base-Base interactions energy: -266.607 where: short stacking energy: -192.855 Base-Backbone interact. energy: 1.939 local terms energy: -447.290829 where: bonds (distance) C4'-P energy: -131.460 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -137.360 flat angles P-C4'-P energy: -65.573 tors. eta vs tors. theta energy: 31.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1821.540496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.540496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.540496 (E_RNA) where: Base-Base interactions energy: -930.789 where: short stacking energy: -701.662 Base-Backbone interact. energy: -0.475 local terms energy: -890.276749 where: bonds (distance) C4'-P energy: -180.820 bonds (distance) P-C4' energy: -199.954 flat angles C4'-P-C4' energy: -208.305 flat angles P-C4'-P energy: -123.281 tors. eta vs tors. theta energy: -177.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1642.460152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.460152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.460152 (E_RNA) where: Base-Base interactions energy: -848.649 where: short stacking energy: -611.102 Base-Backbone interact. energy: -0.555 local terms energy: -793.255405 where: bonds (distance) C4'-P energy: -170.099 bonds (distance) P-C4' energy: -186.842 flat angles C4'-P-C4' energy: -181.426 flat angles P-C4'-P energy: -117.651 tors. eta vs tors. theta energy: -137.237 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1597.469679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.469679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.469679 (E_RNA) where: Base-Base interactions energy: -836.954 where: short stacking energy: -574.563 Base-Backbone interact. energy: -2.204 local terms energy: -758.311957 where: bonds (distance) C4'-P energy: -180.274 bonds (distance) P-C4' energy: -178.554 flat angles C4'-P-C4' energy: -178.305 flat angles P-C4'-P energy: -95.142 tors. eta vs tors. theta energy: -126.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1500.085018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.085018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.085018 (E_RNA) where: Base-Base interactions energy: -784.360 where: short stacking energy: -521.969 Base-Backbone interact. energy: 0.039 local terms energy: -715.764541 where: bonds (distance) C4'-P energy: -156.976 bonds (distance) P-C4' energy: -174.382 flat angles C4'-P-C4' energy: -171.189 flat angles P-C4'-P energy: -99.514 tors. eta vs tors. theta energy: -113.705 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: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1513.049206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.049206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.049206 (E_RNA) where: Base-Base interactions energy: -819.614 where: short stacking energy: -533.984 Base-Backbone interact. energy: -1.902 local terms energy: -691.532447 where: bonds (distance) C4'-P energy: -131.230 bonds (distance) P-C4' energy: -181.353 flat angles C4'-P-C4' energy: -171.781 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -110.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1109.590621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.590621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.590621 (E_RNA) where: Base-Base interactions energy: -477.300 where: short stacking energy: -349.181 Base-Backbone interact. energy: -2.255 local terms energy: -630.034666 where: bonds (distance) C4'-P energy: -169.305 bonds (distance) P-C4' energy: -168.138 flat angles C4'-P-C4' energy: -139.073 flat angles P-C4'-P energy: -102.320 tors. eta vs tors. theta energy: -51.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1042.712104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.712104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.712104 (E_RNA) where: Base-Base interactions energy: -469.780 where: short stacking energy: -327.213 Base-Backbone interact. energy: 1.084 local terms energy: -574.015292 where: bonds (distance) C4'-P energy: -157.346 bonds (distance) P-C4' energy: -152.009 flat angles C4'-P-C4' energy: -144.136 flat angles P-C4'-P energy: -87.389 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: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -885.339466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.339466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.339466 (E_RNA) where: Base-Base interactions energy: -347.889 where: short stacking energy: -269.746 Base-Backbone interact. energy: -2.250 local terms energy: -535.200559 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -169.873 flat angles C4'-P-C4' energy: -153.206 flat angles P-C4'-P energy: -88.052 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -890.168095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.168095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.168095 (E_RNA) where: Base-Base interactions energy: -385.493 where: short stacking energy: -242.978 Base-Backbone interact. energy: 2.701 local terms energy: -507.376159 where: bonds (distance) C4'-P energy: -149.735 bonds (distance) P-C4' energy: -164.983 flat angles C4'-P-C4' energy: -119.792 flat angles P-C4'-P energy: -70.498 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -739.376993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.376993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.376993 (E_RNA) where: Base-Base interactions energy: -295.338 where: short stacking energy: -228.873 Base-Backbone interact. energy: 8.055 local terms energy: -452.094044 where: bonds (distance) C4'-P energy: -116.239 bonds (distance) P-C4' energy: -150.068 flat angles C4'-P-C4' energy: -144.771 flat angles P-C4'-P energy: -65.126 tors. eta vs tors. theta energy: 24.110 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: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1819.623853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.623853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.623853 (E_RNA) where: Base-Base interactions energy: -944.001 where: short stacking energy: -722.259 Base-Backbone interact. energy: 1.921 local terms energy: -877.544646 where: bonds (distance) C4'-P energy: -196.563 bonds (distance) P-C4' energy: -182.161 flat angles C4'-P-C4' energy: -185.694 flat angles P-C4'-P energy: -125.706 tors. eta vs tors. theta energy: -187.420 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: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1695.992912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.992912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.992912 (E_RNA) where: Base-Base interactions energy: -903.093 where: short stacking energy: -653.876 Base-Backbone interact. energy: -0.972 local terms energy: -791.927627 where: bonds (distance) C4'-P energy: -165.700 bonds (distance) P-C4' energy: -165.715 flat angles C4'-P-C4' energy: -182.972 flat angles P-C4'-P energy: -114.664 tors. eta vs tors. theta energy: -162.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1557.927699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.927699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.927699 (E_RNA) where: Base-Base interactions energy: -807.060 where: short stacking energy: -517.133 Base-Backbone interact. energy: -0.819 local terms energy: -750.049292 where: bonds (distance) C4'-P energy: -168.439 bonds (distance) P-C4' energy: -183.294 flat angles C4'-P-C4' energy: -173.917 flat angles P-C4'-P energy: -117.064 tors. eta vs tors. theta energy: -107.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1481.337806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.337806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.337806 (E_RNA) where: Base-Base interactions energy: -772.713 where: short stacking energy: -486.293 Base-Backbone interact. energy: -2.280 local terms energy: -706.344530 where: bonds (distance) C4'-P energy: -151.630 bonds (distance) P-C4' energy: -173.225 flat angles C4'-P-C4' energy: -176.821 flat angles P-C4'-P energy: -113.372 tors. eta vs tors. theta energy: -91.297 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: 14 Temperature: 1.100000 Total energy: -1439.448984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.448984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.448984 (E_RNA) where: Base-Base interactions energy: -723.562 where: short stacking energy: -463.133 Base-Backbone interact. energy: -0.968 local terms energy: -714.918925 where: bonds (distance) C4'-P energy: -169.227 bonds (distance) P-C4' energy: -163.958 flat angles C4'-P-C4' energy: -179.705 flat angles P-C4'-P energy: -109.623 tors. eta vs tors. theta energy: -92.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1191.667332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.667332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.667332 (E_RNA) where: Base-Base interactions energy: -575.247 where: short stacking energy: -408.166 Base-Backbone interact. energy: 1.682 local terms energy: -618.102091 where: bonds (distance) C4'-P energy: -160.526 bonds (distance) P-C4' energy: -165.838 flat angles C4'-P-C4' energy: -142.059 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -63.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -977.692494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.692494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.692494 (E_RNA) where: Base-Base interactions energy: -396.880 where: short stacking energy: -264.693 Base-Backbone interact. energy: 5.034 local terms energy: -585.846760 where: bonds (distance) C4'-P energy: -165.175 bonds (distance) P-C4' energy: -152.693 flat angles C4'-P-C4' energy: -148.567 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -9.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -935.398367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.398367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.398367 (E_RNA) where: Base-Base interactions energy: -403.869 where: short stacking energy: -300.541 Base-Backbone interact. energy: 4.217 local terms energy: -535.746778 where: bonds (distance) C4'-P energy: -135.334 bonds (distance) P-C4' energy: -152.235 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -90.303 tors. eta vs tors. theta energy: -23.429 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: 14 Temperature: 1.300000 Total energy: -987.420978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.420978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.420978 (E_RNA) where: Base-Base interactions energy: -448.946 where: short stacking energy: -296.683 Base-Backbone interact. energy: 6.040 local terms energy: -544.515620 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -153.194 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -10.470 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: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -778.879896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.879896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.879896 (E_RNA) where: Base-Base interactions energy: -288.082 where: short stacking energy: -235.405 Base-Backbone interact. energy: 5.023 local terms energy: -495.820815 where: bonds (distance) C4'-P energy: -138.599 bonds (distance) P-C4' energy: -165.473 flat angles C4'-P-C4' energy: -114.114 flat angles P-C4'-P energy: -76.943 tors. eta vs tors. theta energy: -0.693 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: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1823.453055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.453055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.453055 (E_RNA) where: Base-Base interactions energy: -946.053 where: short stacking energy: -675.882 Base-Backbone interact. energy: -1.607 local terms energy: -875.792955 where: bonds (distance) C4'-P energy: -192.743 bonds (distance) P-C4' energy: -188.942 flat angles C4'-P-C4' energy: -191.728 flat angles P-C4'-P energy: -112.018 tors. eta vs tors. theta energy: -190.362 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1690.919585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.919585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.919585 (E_RNA) where: Base-Base interactions energy: -877.661 where: short stacking energy: -609.096 Base-Backbone interact. energy: -2.045 local terms energy: -811.213194 where: bonds (distance) C4'-P energy: -184.088 bonds (distance) P-C4' energy: -190.082 flat angles C4'-P-C4' energy: -178.015 flat angles P-C4'-P energy: -120.011 tors. eta vs tors. theta energy: -139.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1621.380665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.380665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.380665 (E_RNA) where: Base-Base interactions energy: -845.857 where: short stacking energy: -545.000 Base-Backbone interact. energy: -3.429 local terms energy: -772.094595 where: bonds (distance) C4'-P energy: -182.227 bonds (distance) P-C4' energy: -195.505 flat angles C4'-P-C4' energy: -188.096 flat angles P-C4'-P energy: -97.792 tors. eta vs tors. theta energy: -108.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1663.227074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.227074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.227074 (E_RNA) where: Base-Base interactions energy: -877.063 where: short stacking energy: -531.266 Base-Backbone interact. energy: -1.646 local terms energy: -784.517320 where: bonds (distance) C4'-P energy: -176.724 bonds (distance) P-C4' energy: -178.220 flat angles C4'-P-C4' energy: -193.548 flat angles P-C4'-P energy: -127.098 tors. eta vs tors. theta energy: -108.928 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: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1340.108001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.108001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.108001 (E_RNA) where: Base-Base interactions energy: -675.320 where: short stacking energy: -413.447 Base-Backbone interact. energy: 0.121 local terms energy: -664.908783 where: bonds (distance) C4'-P energy: -164.059 bonds (distance) P-C4' energy: -160.253 flat angles C4'-P-C4' energy: -160.003 flat angles P-C4'-P energy: -115.937 tors. eta vs tors. theta energy: -64.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1231.851994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.851994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.851994 (E_RNA) where: Base-Base interactions energy: -577.277 where: short stacking energy: -414.205 Base-Backbone interact. energy: -3.173 local terms energy: -651.401842 where: bonds (distance) C4'-P energy: -174.508 bonds (distance) P-C4' energy: -182.934 flat angles C4'-P-C4' energy: -143.730 flat angles P-C4'-P energy: -82.053 tors. eta vs tors. theta energy: -68.178 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: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -993.114401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.114401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.114401 (E_RNA) where: Base-Base interactions energy: -455.032 where: short stacking energy: -294.563 Base-Backbone interact. energy: 6.507 local terms energy: -544.588991 where: bonds (distance) C4'-P energy: -166.420 bonds (distance) P-C4' energy: -157.420 flat angles C4'-P-C4' energy: -143.929 flat angles P-C4'-P energy: -77.878 tors. eta vs tors. theta energy: 1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1031.758139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.758139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.758139 (E_RNA) where: Base-Base interactions energy: -478.228 where: short stacking energy: -312.631 Base-Backbone interact. energy: 2.570 local terms energy: -556.099966 where: bonds (distance) C4'-P energy: -121.007 bonds (distance) P-C4' energy: -175.006 flat angles C4'-P-C4' energy: -146.166 flat angles P-C4'-P energy: -81.395 tors. eta vs tors. theta energy: -32.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -839.503493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.503493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.503493 (E_RNA) where: Base-Base interactions energy: -371.154 where: short stacking energy: -233.229 Base-Backbone interact. energy: 7.161 local terms energy: -475.510812 where: bonds (distance) C4'-P energy: -151.391 bonds (distance) P-C4' energy: -145.858 flat angles C4'-P-C4' energy: -121.514 flat angles P-C4'-P energy: -90.883 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: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -830.417896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.417896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.417896 (E_RNA) where: Base-Base interactions energy: -358.496 where: short stacking energy: -221.483 Base-Backbone interact. energy: 3.467 local terms energy: -475.388528 where: bonds (distance) C4'-P energy: -144.844 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -124.989 flat angles P-C4'-P energy: -82.338 tors. eta vs tors. theta energy: 28.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1878.771738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.771738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.771738 (E_RNA) where: Base-Base interactions energy: -1031.871 where: short stacking energy: -707.028 Base-Backbone interact. energy: -0.808 local terms energy: -846.092839 where: bonds (distance) C4'-P energy: -192.451 bonds (distance) P-C4' energy: -168.009 flat angles C4'-P-C4' energy: -204.232 flat angles P-C4'-P energy: -94.696 tors. eta vs tors. theta energy: -186.705 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: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1669.049293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.049293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.049293 (E_RNA) where: Base-Base interactions energy: -880.344 where: short stacking energy: -614.862 Base-Backbone interact. energy: 4.084 local terms energy: -792.789536 where: bonds (distance) C4'-P energy: -171.409 bonds (distance) P-C4' energy: -180.430 flat angles C4'-P-C4' energy: -190.708 flat angles P-C4'-P energy: -109.759 tors. eta vs tors. theta energy: -140.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1790.151596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.151596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.151596 (E_RNA) where: Base-Base interactions energy: -1028.658 where: short stacking energy: -593.517 Base-Backbone interact. energy: 0.520 local terms energy: -762.013201 where: bonds (distance) C4'-P energy: -167.209 bonds (distance) P-C4' energy: -176.970 flat angles C4'-P-C4' energy: -166.259 flat angles P-C4'-P energy: -120.241 tors. eta vs tors. theta energy: -131.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1497.063249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.063249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.063249 (E_RNA) where: Base-Base interactions energy: -782.406 where: short stacking energy: -501.779 Base-Backbone interact. energy: -1.681 local terms energy: -712.976373 where: bonds (distance) C4'-P energy: -160.912 bonds (distance) P-C4' energy: -180.197 flat angles C4'-P-C4' energy: -170.243 flat angles P-C4'-P energy: -112.569 tors. eta vs tors. theta energy: -89.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1294.910276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.910276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.910276 (E_RNA) where: Base-Base interactions energy: -609.607 where: short stacking energy: -440.753 Base-Backbone interact. energy: 1.031 local terms energy: -686.333789 where: bonds (distance) C4'-P energy: -183.480 bonds (distance) P-C4' energy: -167.149 flat angles C4'-P-C4' energy: -158.610 flat angles P-C4'-P energy: -101.775 tors. eta vs tors. theta energy: -75.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1254.771506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.771506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.771506 (E_RNA) where: Base-Base interactions energy: -616.035 where: short stacking energy: -418.634 Base-Backbone interact. energy: 2.473 local terms energy: -641.209435 where: bonds (distance) C4'-P energy: -150.031 bonds (distance) P-C4' energy: -172.438 flat angles C4'-P-C4' energy: -164.229 flat angles P-C4'-P energy: -101.702 tors. eta vs tors. theta energy: -52.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1107.092910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.092910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.092910 (E_RNA) where: Base-Base interactions energy: -588.242 where: short stacking energy: -316.771 Base-Backbone interact. energy: -1.277 local terms energy: -517.573329 where: bonds (distance) C4'-P energy: -161.972 bonds (distance) P-C4' energy: -158.014 flat angles C4'-P-C4' energy: -130.155 flat angles P-C4'-P energy: -63.611 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -976.055298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.055298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.055298 (E_RNA) where: Base-Base interactions energy: -428.177 where: short stacking energy: -312.884 Base-Backbone interact. energy: -3.852 local terms energy: -544.026246 where: bonds (distance) C4'-P energy: -138.070 bonds (distance) P-C4' energy: -178.763 flat angles C4'-P-C4' energy: -135.421 flat angles P-C4'-P energy: -69.777 tors. eta vs tors. theta energy: -21.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -854.261114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.261114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.261114 (E_RNA) where: Base-Base interactions energy: -360.210 where: short stacking energy: -226.248 Base-Backbone interact. energy: -0.020 local terms energy: -494.030256 where: bonds (distance) C4'-P energy: -154.006 bonds (distance) P-C4' energy: -158.245 flat angles C4'-P-C4' energy: -124.100 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: 34.568 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: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -773.982793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.982793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.982793 (E_RNA) where: Base-Base interactions energy: -315.226 where: short stacking energy: -204.163 Base-Backbone interact. energy: 1.825 local terms energy: -460.582386 where: bonds (distance) C4'-P energy: -137.910 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -143.513 flat angles P-C4'-P energy: -57.704 tors. eta vs tors. theta energy: 29.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1910.624068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.624068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.624068 (E_RNA) where: Base-Base interactions energy: -1013.269 where: short stacking energy: -730.015 Base-Backbone interact. energy: -1.739 local terms energy: -895.616783 where: bonds (distance) C4'-P energy: -180.745 bonds (distance) P-C4' energy: -197.743 flat angles C4'-P-C4' energy: -201.568 flat angles P-C4'-P energy: -131.966 tors. eta vs tors. theta energy: -183.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1956.339632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.339632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.339632 (E_RNA) where: Base-Base interactions energy: -1123.545 where: short stacking energy: -631.865 Base-Backbone interact. energy: 1.379 local terms energy: -834.173780 where: bonds (distance) C4'-P energy: -186.157 bonds (distance) P-C4' energy: -187.440 flat angles C4'-P-C4' energy: -199.659 flat angles P-C4'-P energy: -118.963 tors. eta vs tors. theta energy: -141.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1591.287337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.287337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.287337 (E_RNA) where: Base-Base interactions energy: -824.323 where: short stacking energy: -531.483 Base-Backbone interact. energy: -2.299 local terms energy: -764.666054 where: bonds (distance) C4'-P energy: -174.386 bonds (distance) P-C4' energy: -173.737 flat angles C4'-P-C4' energy: -182.369 flat angles P-C4'-P energy: -112.424 tors. eta vs tors. theta energy: -121.749 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: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1498.101348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.101348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.101348 (E_RNA) where: Base-Base interactions energy: -772.684 where: short stacking energy: -523.614 Base-Backbone interact. energy: -1.814 local terms energy: -723.603278 where: bonds (distance) C4'-P energy: -153.163 bonds (distance) P-C4' energy: -177.042 flat angles C4'-P-C4' energy: -172.703 flat angles P-C4'-P energy: -110.171 tors. eta vs tors. theta energy: -110.525 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: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1262.349605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.349605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.349605 (E_RNA) where: Base-Base interactions energy: -595.735 where: short stacking energy: -442.631 Base-Backbone interact. energy: -1.927 local terms energy: -664.687238 where: bonds (distance) C4'-P energy: -163.714 bonds (distance) P-C4' energy: -162.209 flat angles C4'-P-C4' energy: -177.167 flat angles P-C4'-P energy: -103.110 tors. eta vs tors. theta energy: -58.487 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: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1225.039009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.039009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.039009 (E_RNA) where: Base-Base interactions energy: -618.923 where: short stacking energy: -404.418 Base-Backbone interact. energy: -2.183 local terms energy: -603.932537 where: bonds (distance) C4'-P energy: -158.082 bonds (distance) P-C4' energy: -166.772 flat angles C4'-P-C4' energy: -144.768 flat angles P-C4'-P energy: -95.586 tors. eta vs tors. theta energy: -38.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1225.519441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.519441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.519441 (E_RNA) where: Base-Base interactions energy: -641.425 where: short stacking energy: -367.325 Base-Backbone interact. energy: -1.300 local terms energy: -582.794587 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -181.635 flat angles C4'-P-C4' energy: -152.751 flat angles P-C4'-P energy: -86.779 tors. eta vs tors. theta energy: -20.008 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: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -999.608825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.608825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.608825 (E_RNA) where: Base-Base interactions energy: -486.239 where: short stacking energy: -282.346 Base-Backbone interact. energy: -1.250 local terms energy: -512.120339 where: bonds (distance) C4'-P energy: -150.778 bonds (distance) P-C4' energy: -169.856 flat angles C4'-P-C4' energy: -134.734 flat angles P-C4'-P energy: -66.605 tors. eta vs tors. theta energy: 9.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -896.440078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.440078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.440078 (E_RNA) where: Base-Base interactions energy: -368.349 where: short stacking energy: -268.983 Base-Backbone interact. energy: 6.938 local terms energy: -535.029331 where: bonds (distance) C4'-P energy: -161.208 bonds (distance) P-C4' energy: -140.710 flat angles C4'-P-C4' energy: -139.106 flat angles P-C4'-P energy: -89.577 tors. eta vs tors. theta energy: -4.427 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: 17 Temperature: 1.350000 Total energy: -787.141460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.141460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.141460 (E_RNA) where: Base-Base interactions energy: -341.020 where: short stacking energy: -204.315 Base-Backbone interact. energy: 0.306 local terms energy: -446.428104 where: bonds (distance) C4'-P energy: -150.416 bonds (distance) P-C4' energy: -160.366 flat angles C4'-P-C4' energy: -102.955 flat angles P-C4'-P energy: -72.473 tors. eta vs tors. theta energy: 39.782 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: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2141.748275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.748275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.748275 (E_RNA) where: Base-Base interactions energy: -1248.326 where: short stacking energy: -721.542 Base-Backbone interact. energy: -0.507 local terms energy: -892.915190 where: bonds (distance) C4'-P energy: -186.965 bonds (distance) P-C4' energy: -194.629 flat angles C4'-P-C4' energy: -195.981 flat angles P-C4'-P energy: -140.485 tors. eta vs tors. theta energy: -174.855 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: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1784.591222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.591222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.591222 (E_RNA) where: Base-Base interactions energy: -921.906 where: short stacking energy: -631.975 Base-Backbone interact. energy: 1.047 local terms energy: -863.732315 where: bonds (distance) C4'-P energy: -189.440 bonds (distance) P-C4' energy: -180.376 flat angles C4'-P-C4' energy: -202.904 flat angles P-C4'-P energy: -129.972 tors. eta vs tors. theta energy: -161.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1684.520706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.520706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.520706 (E_RNA) where: Base-Base interactions energy: -945.602 where: short stacking energy: -586.456 Base-Backbone interact. energy: -2.377 local terms energy: -736.541666 where: bonds (distance) C4'-P energy: -168.510 bonds (distance) P-C4' energy: -175.841 flat angles C4'-P-C4' energy: -160.462 flat angles P-C4'-P energy: -102.825 tors. eta vs tors. theta energy: -128.904 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: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1563.626124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.626124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.626124 (E_RNA) where: Base-Base interactions energy: -811.606 where: short stacking energy: -529.154 Base-Backbone interact. energy: -3.315 local terms energy: -748.705225 where: bonds (distance) C4'-P energy: -170.305 bonds (distance) P-C4' energy: -183.232 flat angles C4'-P-C4' energy: -166.500 flat angles P-C4'-P energy: -110.850 tors. eta vs tors. theta energy: -117.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1355.665339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.665339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.665339 (E_RNA) where: Base-Base interactions energy: -671.926 where: short stacking energy: -484.547 Base-Backbone interact. energy: -2.387 local terms energy: -681.353028 where: bonds (distance) C4'-P energy: -162.980 bonds (distance) P-C4' energy: -160.070 flat angles C4'-P-C4' energy: -170.993 flat angles P-C4'-P energy: -87.485 tors. eta vs tors. theta energy: -99.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1272.726888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.726888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.726888 (E_RNA) where: Base-Base interactions energy: -649.155 where: short stacking energy: -396.805 Base-Backbone interact. energy: -2.902 local terms energy: -620.669502 where: bonds (distance) C4'-P energy: -157.011 bonds (distance) P-C4' energy: -167.584 flat angles C4'-P-C4' energy: -162.986 flat angles P-C4'-P energy: -76.861 tors. eta vs tors. theta energy: -56.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1204.985981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.985981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.985981 (E_RNA) where: Base-Base interactions energy: -607.125 where: short stacking energy: -350.277 Base-Backbone interact. energy: -4.126 local terms energy: -593.734305 where: bonds (distance) C4'-P energy: -156.732 bonds (distance) P-C4' energy: -152.629 flat angles C4'-P-C4' energy: -152.732 flat angles P-C4'-P energy: -93.404 tors. eta vs tors. theta energy: -38.237 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: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -985.669190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.669190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.669190 (E_RNA) where: Base-Base interactions energy: -472.385 where: short stacking energy: -285.477 Base-Backbone interact. energy: 2.833 local terms energy: -516.117340 where: bonds (distance) C4'-P energy: -151.875 bonds (distance) P-C4' energy: -142.901 flat angles C4'-P-C4' energy: -142.400 flat angles P-C4'-P energy: -86.748 tors. eta vs tors. theta energy: 7.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -824.952421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.952421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.952421 (E_RNA) where: Base-Base interactions energy: -345.582 where: short stacking energy: -236.989 Base-Backbone interact. energy: 4.114 local terms energy: -483.483549 where: bonds (distance) C4'-P energy: -127.240 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -146.938 flat angles P-C4'-P energy: -67.587 tors. eta vs tors. theta energy: 9.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -881.850893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.850893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.850893 (E_RNA) where: Base-Base interactions energy: -457.872 where: short stacking energy: -245.917 Base-Backbone interact. energy: -3.008 local terms energy: -420.970486 where: bonds (distance) C4'-P energy: -125.362 bonds (distance) P-C4' energy: -146.813 flat angles C4'-P-C4' energy: -113.561 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: 14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2177.320262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.320262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.320262 (E_RNA) where: Base-Base interactions energy: -1301.160 where: short stacking energy: -761.743 Base-Backbone interact. energy: -5.067 local terms energy: -871.093369 where: bonds (distance) C4'-P energy: -172.522 bonds (distance) P-C4' energy: -182.897 flat angles C4'-P-C4' energy: -192.324 flat angles P-C4'-P energy: -131.463 tors. eta vs tors. theta energy: -191.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1818.522903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.522903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.522903 (E_RNA) where: Base-Base interactions energy: -997.442 where: short stacking energy: -638.748 Base-Backbone interact. energy: -4.595 local terms energy: -816.485507 where: bonds (distance) C4'-P energy: -170.766 bonds (distance) P-C4' energy: -179.657 flat angles C4'-P-C4' energy: -194.129 flat angles P-C4'-P energy: -120.063 tors. eta vs tors. theta energy: -151.870 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: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1677.100468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.100468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.100468 (E_RNA) where: Base-Base interactions energy: -910.977 where: short stacking energy: -586.584 Base-Backbone interact. energy: -2.907 local terms energy: -763.216752 where: bonds (distance) C4'-P energy: -177.966 bonds (distance) P-C4' energy: -188.259 flat angles C4'-P-C4' energy: -179.387 flat angles P-C4'-P energy: -95.955 tors. eta vs tors. theta energy: -121.651 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1610.756691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.756691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.756691 (E_RNA) where: Base-Base interactions energy: -848.186 where: short stacking energy: -543.334 Base-Backbone interact. energy: -0.911 local terms energy: -761.659643 where: bonds (distance) C4'-P energy: -175.535 bonds (distance) P-C4' energy: -188.264 flat angles C4'-P-C4' energy: -176.415 flat angles P-C4'-P energy: -105.494 tors. eta vs tors. theta energy: -115.952 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: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1260.370963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.370963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.370963 (E_RNA) where: Base-Base interactions energy: -619.027 where: short stacking energy: -442.833 Base-Backbone interact. energy: 6.477 local terms energy: -647.820712 where: bonds (distance) C4'-P energy: -165.469 bonds (distance) P-C4' energy: -152.543 flat angles C4'-P-C4' energy: -167.423 flat angles P-C4'-P energy: -90.708 tors. eta vs tors. theta energy: -71.678 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: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1363.397486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.397486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.397486 (E_RNA) where: Base-Base interactions energy: -701.598 where: short stacking energy: -433.739 Base-Backbone interact. energy: -0.453 local terms energy: -661.346985 where: bonds (distance) C4'-P energy: -156.230 bonds (distance) P-C4' energy: -164.185 flat angles C4'-P-C4' energy: -159.285 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -86.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1185.284720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.284720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.284720 (E_RNA) where: Base-Base interactions energy: -617.834 where: short stacking energy: -341.419 Base-Backbone interact. energy: -0.233 local terms energy: -567.218043 where: bonds (distance) C4'-P energy: -157.050 bonds (distance) P-C4' energy: -141.012 flat angles C4'-P-C4' energy: -145.159 flat angles P-C4'-P energy: -91.011 tors. eta vs tors. theta energy: -32.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1079.364396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.364396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.364396 (E_RNA) where: Base-Base interactions energy: -502.808 where: short stacking energy: -328.280 Base-Backbone interact. energy: 0.879 local terms energy: -577.435072 where: bonds (distance) C4'-P energy: -157.193 bonds (distance) P-C4' energy: -153.608 flat angles C4'-P-C4' energy: -173.820 flat angles P-C4'-P energy: -72.473 tors. eta vs tors. theta energy: -20.341 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: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -843.585478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.585478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.585478 (E_RNA) where: Base-Base interactions energy: -357.453 where: short stacking energy: -258.134 Base-Backbone interact. energy: 0.606 local terms energy: -486.738179 where: bonds (distance) C4'-P energy: -136.550 bonds (distance) P-C4' energy: -154.491 flat angles C4'-P-C4' energy: -134.055 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: 8.235 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: 19 Temperature: 1.350000 Total energy: -874.504766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.504766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.504766 (E_RNA) where: Base-Base interactions energy: -415.371 where: short stacking energy: -245.788 Base-Backbone interact. energy: 0.944 local terms energy: -460.077382 where: bonds (distance) C4'-P energy: -132.557 bonds (distance) P-C4' energy: -151.427 flat angles C4'-P-C4' energy: -105.032 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: 17.540 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: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2230.048576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.048576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.048576 (E_RNA) where: Base-Base interactions energy: -1335.121 where: short stacking energy: -773.255 Base-Backbone interact. energy: -2.786 local terms energy: -892.141389 where: bonds (distance) C4'-P energy: -175.766 bonds (distance) P-C4' energy: -180.799 flat angles C4'-P-C4' energy: -200.443 flat angles P-C4'-P energy: -117.618 tors. eta vs tors. theta energy: -217.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1893.023539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.023539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.023539 (E_RNA) where: Base-Base interactions energy: -1049.341 where: short stacking energy: -621.105 Base-Backbone interact. energy: -1.170 local terms energy: -842.512822 where: bonds (distance) C4'-P energy: -183.919 bonds (distance) P-C4' energy: -200.477 flat angles C4'-P-C4' energy: -183.099 flat angles P-C4'-P energy: -117.754 tors. eta vs tors. theta energy: -157.265 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: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1662.331924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.331924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.331924 (E_RNA) where: Base-Base interactions energy: -911.335 where: short stacking energy: -567.988 Base-Backbone interact. energy: -1.830 local terms energy: -749.167371 where: bonds (distance) C4'-P energy: -168.472 bonds (distance) P-C4' energy: -169.392 flat angles C4'-P-C4' energy: -166.290 flat angles P-C4'-P energy: -119.817 tors. eta vs tors. theta energy: -125.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1557.037173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.037173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.037173 (E_RNA) where: Base-Base interactions energy: -812.039 where: short stacking energy: -499.776 Base-Backbone interact. energy: -2.784 local terms energy: -742.214084 where: bonds (distance) C4'-P energy: -165.720 bonds (distance) P-C4' energy: -183.311 flat angles C4'-P-C4' energy: -180.784 flat angles P-C4'-P energy: -101.605 tors. eta vs tors. theta energy: -110.794 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: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1420.713613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.713613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.713613 (E_RNA) where: Base-Base interactions energy: -730.727 where: short stacking energy: -459.787 Base-Backbone interact. energy: -1.119 local terms energy: -688.867191 where: bonds (distance) C4'-P energy: -175.140 bonds (distance) P-C4' energy: -167.699 flat angles C4'-P-C4' energy: -165.249 flat angles P-C4'-P energy: -108.790 tors. eta vs tors. theta energy: -71.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1220.548024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.548024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.548024 (E_RNA) where: Base-Base interactions energy: -576.691 where: short stacking energy: -389.251 Base-Backbone interact. energy: -0.807 local terms energy: -643.049818 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -176.602 flat angles C4'-P-C4' energy: -171.075 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -71.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1220.071973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.071973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.071973 (E_RNA) where: Base-Base interactions energy: -632.448 where: short stacking energy: -397.295 Base-Backbone interact. energy: 3.425 local terms energy: -591.048841 where: bonds (distance) C4'-P energy: -155.542 bonds (distance) P-C4' energy: -157.323 flat angles C4'-P-C4' energy: -122.412 flat angles P-C4'-P energy: -93.565 tors. eta vs tors. theta energy: -62.208 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: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -992.671727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.671727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.671727 (E_RNA) where: Base-Base interactions energy: -469.058 where: short stacking energy: -292.994 Base-Backbone interact. energy: -7.285 local terms energy: -516.328306 where: bonds (distance) C4'-P energy: -152.858 bonds (distance) P-C4' energy: -138.760 flat angles C4'-P-C4' energy: -135.347 flat angles P-C4'-P energy: -96.111 tors. eta vs tors. theta energy: 6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -919.225556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.225556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.225556 (E_RNA) where: Base-Base interactions energy: -389.944 where: short stacking energy: -234.336 Base-Backbone interact. energy: 0.859 local terms energy: -530.140929 where: bonds (distance) C4'-P energy: -157.671 bonds (distance) P-C4' energy: -125.248 flat angles C4'-P-C4' energy: -160.294 flat angles P-C4'-P energy: -93.766 tors. eta vs tors. theta energy: 6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -781.438082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.438082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.438082 (E_RNA) where: Base-Base interactions energy: -327.131 where: short stacking energy: -213.972 Base-Backbone interact. energy: -2.036 local terms energy: -452.270219 where: bonds (distance) C4'-P energy: -122.199 bonds (distance) P-C4' energy: -171.163 flat angles C4'-P-C4' energy: -123.575 flat angles P-C4'-P energy: -69.409 tors. eta vs tors. theta energy: 34.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2256.558208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.558208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.558208 (E_RNA) where: Base-Base interactions energy: -1345.920 where: short stacking energy: -764.523 Base-Backbone interact. energy: -4.347 local terms energy: -906.291037 where: bonds (distance) C4'-P energy: -182.769 bonds (distance) P-C4' energy: -192.354 flat angles C4'-P-C4' energy: -200.861 flat angles P-C4'-P energy: -125.897 tors. eta vs tors. theta energy: -204.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1972.854096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.854096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.854096 (E_RNA) where: Base-Base interactions energy: -1143.287 where: short stacking energy: -651.649 Base-Backbone interact. energy: 1.660 local terms energy: -831.227260 where: bonds (distance) C4'-P energy: -179.348 bonds (distance) P-C4' energy: -203.482 flat angles C4'-P-C4' energy: -186.278 flat angles P-C4'-P energy: -107.032 tors. eta vs tors. theta energy: -155.087 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: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1713.903870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.903870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.903870 (E_RNA) where: Base-Base interactions energy: -944.367 where: short stacking energy: -586.958 Base-Backbone interact. energy: 0.292 local terms energy: -769.829016 where: bonds (distance) C4'-P energy: -171.357 bonds (distance) P-C4' energy: -180.240 flat angles C4'-P-C4' energy: -175.203 flat angles P-C4'-P energy: -106.663 tors. eta vs tors. theta energy: -136.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1604.695955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.695955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.695955 (E_RNA) where: Base-Base interactions energy: -861.468 where: short stacking energy: -487.071 Base-Backbone interact. energy: 2.856 local terms energy: -746.084400 where: bonds (distance) C4'-P energy: -151.693 bonds (distance) P-C4' energy: -160.638 flat angles C4'-P-C4' energy: -194.140 flat angles P-C4'-P energy: -115.335 tors. eta vs tors. theta energy: -124.278 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: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1433.403529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.403529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.403529 (E_RNA) where: Base-Base interactions energy: -755.122 where: short stacking energy: -444.962 Base-Backbone interact. energy: 4.345 local terms energy: -682.626231 where: bonds (distance) C4'-P energy: -165.121 bonds (distance) P-C4' energy: -171.984 flat angles C4'-P-C4' energy: -147.375 flat angles P-C4'-P energy: -103.422 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1315.881874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.881874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.881874 (E_RNA) where: Base-Base interactions energy: -666.898 where: short stacking energy: -417.344 Base-Backbone interact. energy: -2.685 local terms energy: -646.298949 where: bonds (distance) C4'-P energy: -148.859 bonds (distance) P-C4' energy: -173.102 flat angles C4'-P-C4' energy: -161.893 flat angles P-C4'-P energy: -89.031 tors. eta vs tors. theta energy: -73.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1181.204563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.204563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.204563 (E_RNA) where: Base-Base interactions energy: -554.240 where: short stacking energy: -365.465 Base-Backbone interact. energy: -2.536 local terms energy: -624.428859 where: bonds (distance) C4'-P energy: -156.220 bonds (distance) P-C4' energy: -171.588 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -98.244 tors. eta vs tors. theta energy: -49.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1005.438527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.438527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.438527 (E_RNA) where: Base-Base interactions energy: -490.988 where: short stacking energy: -296.526 Base-Backbone interact. energy: -2.524 local terms energy: -511.926324 where: bonds (distance) C4'-P energy: -150.442 bonds (distance) P-C4' energy: -170.277 flat angles C4'-P-C4' energy: -122.623 flat angles P-C4'-P energy: -74.660 tors. eta vs tors. theta energy: 6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -898.521449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.521449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.521449 (E_RNA) where: Base-Base interactions energy: -385.213 where: short stacking energy: -250.931 Base-Backbone interact. energy: 1.873 local terms energy: -515.180661 where: bonds (distance) C4'-P energy: -160.405 bonds (distance) P-C4' energy: -154.070 flat angles C4'-P-C4' energy: -119.870 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: 3.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -777.660803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.660803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.660803 (E_RNA) where: Base-Base interactions energy: -324.627 where: short stacking energy: -221.584 Base-Backbone interact. energy: -2.603 local terms energy: -450.430928 where: bonds (distance) C4'-P energy: -139.753 bonds (distance) P-C4' energy: -134.252 flat angles C4'-P-C4' energy: -130.158 flat angles P-C4'-P energy: -76.354 tors. eta vs tors. theta energy: 30.086 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: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2294.938700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.938700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.938700 (E_RNA) where: Base-Base interactions energy: -1400.311 where: short stacking energy: -775.406 Base-Backbone interact. energy: -5.068 local terms energy: -889.559648 where: bonds (distance) C4'-P energy: -181.551 bonds (distance) P-C4' energy: -186.814 flat angles C4'-P-C4' energy: -188.566 flat angles P-C4'-P energy: -133.368 tors. eta vs tors. theta energy: -199.261 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: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2017.046140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.046140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.046140 (E_RNA) where: Base-Base interactions energy: -1191.967 where: short stacking energy: -648.975 Base-Backbone interact. energy: 1.525 local terms energy: -826.603568 where: bonds (distance) C4'-P energy: -173.854 bonds (distance) P-C4' energy: -177.491 flat angles C4'-P-C4' energy: -186.226 flat angles P-C4'-P energy: -126.586 tors. eta vs tors. theta energy: -162.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1755.435141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.435141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.435141 (E_RNA) where: Base-Base interactions energy: -956.373 where: short stacking energy: -643.386 Base-Backbone interact. energy: -1.217 local terms energy: -797.844595 where: bonds (distance) C4'-P energy: -172.868 bonds (distance) P-C4' energy: -179.149 flat angles C4'-P-C4' energy: -178.082 flat angles P-C4'-P energy: -110.206 tors. eta vs tors. theta energy: -157.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1625.502736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.502736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.502736 (E_RNA) where: Base-Base interactions energy: -911.436 where: short stacking energy: -574.475 Base-Backbone interact. energy: 0.567 local terms energy: -714.633486 where: bonds (distance) C4'-P energy: -164.190 bonds (distance) P-C4' energy: -147.244 flat angles C4'-P-C4' energy: -171.378 flat angles P-C4'-P energy: -107.564 tors. eta vs tors. theta energy: -124.258 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: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1499.380272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.380272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.380272 (E_RNA) where: Base-Base interactions energy: -814.113 where: short stacking energy: -488.239 Base-Backbone interact. energy: -4.082 local terms energy: -681.185511 where: bonds (distance) C4'-P energy: -153.089 bonds (distance) P-C4' energy: -169.198 flat angles C4'-P-C4' energy: -145.997 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -103.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1408.952009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.952009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.952009 (E_RNA) where: Base-Base interactions energy: -740.337 where: short stacking energy: -404.430 Base-Backbone interact. energy: 2.505 local terms energy: -671.120172 where: bonds (distance) C4'-P energy: -173.708 bonds (distance) P-C4' energy: -166.024 flat angles C4'-P-C4' energy: -153.085 flat angles P-C4'-P energy: -99.776 tors. eta vs tors. theta energy: -78.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1165.319301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.319301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.319301 (E_RNA) where: Base-Base interactions energy: -566.177 where: short stacking energy: -406.665 Base-Backbone interact. energy: 1.383 local terms energy: -600.525375 where: bonds (distance) C4'-P energy: -156.886 bonds (distance) P-C4' energy: -164.072 flat angles C4'-P-C4' energy: -148.040 flat angles P-C4'-P energy: -79.125 tors. eta vs tors. theta energy: -52.402 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: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1066.344871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.344871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.344871 (E_RNA) where: Base-Base interactions energy: -500.485 where: short stacking energy: -303.217 Base-Backbone interact. energy: -5.871 local terms energy: -559.989040 where: bonds (distance) C4'-P energy: -151.289 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -144.565 flat angles P-C4'-P energy: -96.119 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: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -889.295765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.295765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.295765 (E_RNA) where: Base-Base interactions energy: -397.422 where: short stacking energy: -294.465 Base-Backbone interact. energy: 4.787 local terms energy: -496.661008 where: bonds (distance) C4'-P energy: -123.038 bonds (distance) P-C4' energy: -149.604 flat angles C4'-P-C4' energy: -152.298 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -8.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -710.049364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.049364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.049364 (E_RNA) where: Base-Base interactions energy: -244.968 where: short stacking energy: -214.672 Base-Backbone interact. energy: -1.807 local terms energy: -463.273467 where: bonds (distance) C4'-P energy: -131.556 bonds (distance) P-C4' energy: -163.446 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -69.909 tors. eta vs tors. theta energy: 28.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2316.337016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.337016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.337016 (E_RNA) where: Base-Base interactions energy: -1454.029 where: short stacking energy: -748.100 Base-Backbone interact. energy: -3.019 local terms energy: -859.288669 where: bonds (distance) C4'-P energy: -161.401 bonds (distance) P-C4' energy: -185.087 flat angles C4'-P-C4' energy: -198.622 flat angles P-C4'-P energy: -124.088 tors. eta vs tors. theta energy: -190.091 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: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2047.369965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.369965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.369965 (E_RNA) where: Base-Base interactions energy: -1191.396 where: short stacking energy: -695.802 Base-Backbone interact. energy: -3.178 local terms energy: -852.795606 where: bonds (distance) C4'-P energy: -176.548 bonds (distance) P-C4' energy: -170.665 flat angles C4'-P-C4' energy: -192.134 flat angles P-C4'-P energy: -141.709 tors. eta vs tors. theta energy: -171.738 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: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1735.951231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.951231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.951231 (E_RNA) where: Base-Base interactions energy: -916.164 where: short stacking energy: -599.326 Base-Backbone interact. energy: -1.930 local terms energy: -817.857036 where: bonds (distance) C4'-P energy: -171.573 bonds (distance) P-C4' energy: -185.916 flat angles C4'-P-C4' energy: -184.405 flat angles P-C4'-P energy: -121.123 tors. eta vs tors. theta energy: -154.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1610.891486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.891486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.891486 (E_RNA) where: Base-Base interactions energy: -845.483 where: short stacking energy: -512.865 Base-Backbone interact. energy: -0.492 local terms energy: -764.917090 where: bonds (distance) C4'-P energy: -177.149 bonds (distance) P-C4' energy: -177.802 flat angles C4'-P-C4' energy: -189.601 flat angles P-C4'-P energy: -102.554 tors. eta vs tors. theta energy: -117.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1445.795482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.795482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.795482 (E_RNA) where: Base-Base interactions energy: -748.438 where: short stacking energy: -424.887 Base-Backbone interact. energy: -1.859 local terms energy: -695.499022 where: bonds (distance) C4'-P energy: -159.388 bonds (distance) P-C4' energy: -169.487 flat angles C4'-P-C4' energy: -170.932 flat angles P-C4'-P energy: -122.612 tors. eta vs tors. theta energy: -73.079 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: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1420.329542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.329542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.329542 (E_RNA) where: Base-Base interactions energy: -746.627 where: short stacking energy: -465.294 Base-Backbone interact. energy: -4.946 local terms energy: -668.756548 where: bonds (distance) C4'-P energy: -155.438 bonds (distance) P-C4' energy: -174.680 flat angles C4'-P-C4' energy: -155.830 flat angles P-C4'-P energy: -86.190 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: 7, replica: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1112.573187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.573187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.573187 (E_RNA) where: Base-Base interactions energy: -538.003 where: short stacking energy: -367.281 Base-Backbone interact. energy: 1.419 local terms energy: -575.989173 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -145.762 flat angles C4'-P-C4' energy: -165.710 flat angles P-C4'-P energy: -78.171 tors. eta vs tors. theta energy: -42.006 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: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1091.918449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.918449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.918449 (E_RNA) where: Base-Base interactions energy: -513.503 where: short stacking energy: -312.480 Base-Backbone interact. energy: -2.127 local terms energy: -576.287729 where: bonds (distance) C4'-P energy: -140.060 bonds (distance) P-C4' energy: -173.592 flat angles C4'-P-C4' energy: -161.962 flat angles P-C4'-P energy: -95.390 tors. eta vs tors. theta energy: -5.284 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: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -927.938411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.938411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.938411 (E_RNA) where: Base-Base interactions energy: -408.903 where: short stacking energy: -273.134 Base-Backbone interact. energy: 0.644 local terms energy: -519.679495 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -168.584 flat angles C4'-P-C4' energy: -136.348 flat angles P-C4'-P energy: -77.222 tors. eta vs tors. theta energy: -10.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -651.865000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.865000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.865000 (E_RNA) where: Base-Base interactions energy: -216.962 where: short stacking energy: -169.594 Base-Backbone interact. energy: -3.308 local terms energy: -431.595382 where: bonds (distance) C4'-P energy: -137.114 bonds (distance) P-C4' energy: -141.196 flat angles C4'-P-C4' energy: -105.663 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: 26.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2449.693002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.693002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.693002 (E_RNA) where: Base-Base interactions energy: -1527.145 where: short stacking energy: -818.096 Base-Backbone interact. energy: -2.716 local terms energy: -919.832010 where: bonds (distance) C4'-P energy: -181.652 bonds (distance) P-C4' energy: -179.014 flat angles C4'-P-C4' energy: -212.631 flat angles P-C4'-P energy: -124.701 tors. eta vs tors. theta energy: -221.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2120.323137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.323137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.323137 (E_RNA) where: Base-Base interactions energy: -1291.072 where: short stacking energy: -717.773 Base-Backbone interact. energy: -3.406 local terms energy: -825.844983 where: bonds (distance) C4'-P energy: -175.958 bonds (distance) P-C4' energy: -165.825 flat angles C4'-P-C4' energy: -182.419 flat angles P-C4'-P energy: -121.008 tors. eta vs tors. theta energy: -180.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1819.953458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.953458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.953458 (E_RNA) where: Base-Base interactions energy: -1039.305 where: short stacking energy: -581.164 Base-Backbone interact. energy: -2.389 local terms energy: -778.259164 where: bonds (distance) C4'-P energy: -169.724 bonds (distance) P-C4' energy: -174.628 flat angles C4'-P-C4' energy: -196.535 flat angles P-C4'-P energy: -109.977 tors. eta vs tors. theta energy: -127.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1591.859596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.859596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.859596 (E_RNA) where: Base-Base interactions energy: -862.445 where: short stacking energy: -556.883 Base-Backbone interact. energy: -0.359 local terms energy: -729.056399 where: bonds (distance) C4'-P energy: -159.816 bonds (distance) P-C4' energy: -167.117 flat angles C4'-P-C4' energy: -160.916 flat angles P-C4'-P energy: -126.133 tors. eta vs tors. theta energy: -115.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1556.393201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.393201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.393201 (E_RNA) where: Base-Base interactions energy: -846.050 where: short stacking energy: -487.399 Base-Backbone interact. energy: -1.673 local terms energy: -708.670184 where: bonds (distance) C4'-P energy: -182.139 bonds (distance) P-C4' energy: -175.121 flat angles C4'-P-C4' energy: -150.099 flat angles P-C4'-P energy: -98.046 tors. eta vs tors. theta energy: -103.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1405.813464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.813464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.813464 (E_RNA) where: Base-Base interactions energy: -738.553 where: short stacking energy: -403.509 Base-Backbone interact. energy: -0.518 local terms energy: -666.742090 where: bonds (distance) C4'-P energy: -168.611 bonds (distance) P-C4' energy: -170.092 flat angles C4'-P-C4' energy: -192.314 flat angles P-C4'-P energy: -92.192 tors. eta vs tors. theta energy: -43.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1286.722512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.722512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.722512 (E_RNA) where: Base-Base interactions energy: -701.768 where: short stacking energy: -392.219 Base-Backbone interact. energy: -1.125 local terms energy: -583.829684 where: bonds (distance) C4'-P energy: -139.491 bonds (distance) P-C4' energy: -152.188 flat angles C4'-P-C4' energy: -165.309 flat angles P-C4'-P energy: -86.827 tors. eta vs tors. theta energy: -40.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1014.151464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.151464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.151464 (E_RNA) where: Base-Base interactions energy: -471.266 where: short stacking energy: -291.298 Base-Backbone interact. energy: -2.955 local terms energy: -539.929638 where: bonds (distance) C4'-P energy: -155.210 bonds (distance) P-C4' energy: -152.652 flat angles C4'-P-C4' energy: -133.426 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -27.909 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: 24 Temperature: 1.300000 Total energy: -995.676695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.676695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.676695 (E_RNA) where: Base-Base interactions energy: -444.338 where: short stacking energy: -307.003 Base-Backbone interact. energy: -4.888 local terms energy: -546.450873 where: bonds (distance) C4'-P energy: -149.413 bonds (distance) P-C4' energy: -163.153 flat angles C4'-P-C4' energy: -143.739 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: -22.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -695.518754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.518754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.518754 (E_RNA) where: Base-Base interactions energy: -231.718 where: short stacking energy: -194.874 Base-Backbone interact. energy: -2.170 local terms energy: -461.630656 where: bonds (distance) C4'-P energy: -139.655 bonds (distance) P-C4' energy: -165.135 flat angles C4'-P-C4' energy: -129.929 flat angles P-C4'-P energy: -66.157 tors. eta vs tors. theta energy: 39.245 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: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2423.535440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.535440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.535440 (E_RNA) where: Base-Base interactions energy: -1511.942 where: short stacking energy: -814.989 Base-Backbone interact. energy: 0.532 local terms energy: -912.125452 where: bonds (distance) C4'-P energy: -168.079 bonds (distance) P-C4' energy: -185.325 flat angles C4'-P-C4' energy: -203.261 flat angles P-C4'-P energy: -122.827 tors. eta vs tors. theta energy: -232.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2182.712937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.712937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.712937 (E_RNA) where: Base-Base interactions energy: -1314.015 where: short stacking energy: -694.874 Base-Backbone interact. energy: -3.268 local terms energy: -865.430477 where: bonds (distance) C4'-P energy: -180.851 bonds (distance) P-C4' energy: -188.711 flat angles C4'-P-C4' energy: -193.749 flat angles P-C4'-P energy: -122.332 tors. eta vs tors. theta energy: -179.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1907.726538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.726538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.726538 (E_RNA) where: Base-Base interactions energy: -1115.228 where: short stacking energy: -639.002 Base-Backbone interact. energy: -0.224 local terms energy: -792.274724 where: bonds (distance) C4'-P energy: -168.971 bonds (distance) P-C4' energy: -174.957 flat angles C4'-P-C4' energy: -185.943 flat angles P-C4'-P energy: -114.994 tors. eta vs tors. theta energy: -147.409 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: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1768.278400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.278400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.278400 (E_RNA) where: Base-Base interactions energy: -1029.268 where: short stacking energy: -560.774 Base-Backbone interact. energy: -3.758 local terms energy: -735.253141 where: bonds (distance) C4'-P energy: -149.968 bonds (distance) P-C4' energy: -189.883 flat angles C4'-P-C4' energy: -185.095 flat angles P-C4'-P energy: -97.760 tors. eta vs tors. theta energy: -112.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1483.392115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.392115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.392115 (E_RNA) where: Base-Base interactions energy: -777.504 where: short stacking energy: -494.609 Base-Backbone interact. energy: -2.725 local terms energy: -703.162623 where: bonds (distance) C4'-P energy: -155.116 bonds (distance) P-C4' energy: -169.897 flat angles C4'-P-C4' energy: -173.038 flat angles P-C4'-P energy: -105.616 tors. eta vs tors. theta energy: -99.496 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: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1471.088855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.088855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.088855 (E_RNA) where: Base-Base interactions energy: -817.713 where: short stacking energy: -458.569 Base-Backbone interact. energy: -3.562 local terms energy: -649.814223 where: bonds (distance) C4'-P energy: -150.671 bonds (distance) P-C4' energy: -164.320 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -105.673 tors. eta vs tors. theta energy: -73.172 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1272.085227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.085227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.085227 (E_RNA) where: Base-Base interactions energy: -662.341 where: short stacking energy: -374.590 Base-Backbone interact. energy: -3.465 local terms energy: -606.279786 where: bonds (distance) C4'-P energy: -158.344 bonds (distance) P-C4' energy: -163.614 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -104.236 tors. eta vs tors. theta energy: -48.315 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: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1124.747245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.747245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.747245 (E_RNA) where: Base-Base interactions energy: -552.538 where: short stacking energy: -316.116 Base-Backbone interact. energy: 5.067 local terms energy: -577.276147 where: bonds (distance) C4'-P energy: -167.650 bonds (distance) P-C4' energy: -169.917 flat angles C4'-P-C4' energy: -143.989 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -27.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -809.240850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.240850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.240850 (E_RNA) where: Base-Base interactions energy: -341.307 where: short stacking energy: -236.745 Base-Backbone interact. energy: 3.057 local terms energy: -470.990085 where: bonds (distance) C4'-P energy: -136.587 bonds (distance) P-C4' energy: -158.160 flat angles C4'-P-C4' energy: -128.552 flat angles P-C4'-P energy: -67.919 tors. eta vs tors. theta energy: 20.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -700.527466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.527466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.527466 (E_RNA) where: Base-Base interactions energy: -279.004 where: short stacking energy: -234.813 Base-Backbone interact. energy: 2.539 local terms energy: -424.062469 where: bonds (distance) C4'-P energy: -143.742 bonds (distance) P-C4' energy: -152.832 flat angles C4'-P-C4' energy: -91.999 flat angles P-C4'-P energy: -68.200 tors. eta vs tors. theta energy: 32.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2428.427450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.427450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.427450 (E_RNA) where: Base-Base interactions energy: -1523.025 where: short stacking energy: -768.174 Base-Backbone interact. energy: -3.789 local terms energy: -901.613855 where: bonds (distance) C4'-P energy: -177.063 bonds (distance) P-C4' energy: -183.250 flat angles C4'-P-C4' energy: -201.478 flat angles P-C4'-P energy: -128.666 tors. eta vs tors. theta energy: -211.157 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: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2186.469593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.469593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.469593 (E_RNA) where: Base-Base interactions energy: -1312.507 where: short stacking energy: -728.922 Base-Backbone interact. energy: -3.501 local terms energy: -870.462377 where: bonds (distance) C4'-P energy: -177.524 bonds (distance) P-C4' energy: -178.958 flat angles C4'-P-C4' energy: -183.545 flat angles P-C4'-P energy: -122.475 tors. eta vs tors. theta energy: -207.961 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: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2030.003244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.003244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.003244 (E_RNA) where: Base-Base interactions energy: -1180.870 where: short stacking energy: -658.781 Base-Backbone interact. energy: -3.666 local terms energy: -845.467095 where: bonds (distance) C4'-P energy: -194.806 bonds (distance) P-C4' energy: -185.157 flat angles C4'-P-C4' energy: -179.881 flat angles P-C4'-P energy: -121.401 tors. eta vs tors. theta energy: -164.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1853.523297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.523297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.523297 (E_RNA) where: Base-Base interactions energy: -1086.084 where: short stacking energy: -615.402 Base-Backbone interact. energy: -2.782 local terms energy: -764.657369 where: bonds (distance) C4'-P energy: -160.751 bonds (distance) P-C4' energy: -170.872 flat angles C4'-P-C4' energy: -184.298 flat angles P-C4'-P energy: -111.499 tors. eta vs tors. theta energy: -137.237 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: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1527.482038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.482038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.482038 (E_RNA) where: Base-Base interactions energy: -828.267 where: short stacking energy: -483.861 Base-Backbone interact. energy: 0.279 local terms energy: -699.493185 where: bonds (distance) C4'-P energy: -169.086 bonds (distance) P-C4' energy: -151.474 flat angles C4'-P-C4' energy: -167.403 flat angles P-C4'-P energy: -107.396 tors. eta vs tors. theta energy: -104.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1600.102108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.102108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.102108 (E_RNA) where: Base-Base interactions energy: -915.549 where: short stacking energy: -512.670 Base-Backbone interact. energy: -0.781 local terms energy: -683.771882 where: bonds (distance) C4'-P energy: -153.653 bonds (distance) P-C4' energy: -163.944 flat angles C4'-P-C4' energy: -177.220 flat angles P-C4'-P energy: -98.800 tors. eta vs tors. theta energy: -90.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1364.045963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.045963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.045963 (E_RNA) where: Base-Base interactions energy: -762.743 where: short stacking energy: -430.441 Base-Backbone interact. energy: 0.539 local terms energy: -601.841751 where: bonds (distance) C4'-P energy: -141.566 bonds (distance) P-C4' energy: -143.936 flat angles C4'-P-C4' energy: -146.525 flat angles P-C4'-P energy: -105.520 tors. eta vs tors. theta energy: -64.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1140.721805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.721805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.721805 (E_RNA) where: Base-Base interactions energy: -553.470 where: short stacking energy: -327.642 Base-Backbone interact. energy: -1.671 local terms energy: -585.580748 where: bonds (distance) C4'-P energy: -145.662 bonds (distance) P-C4' energy: -164.079 flat angles C4'-P-C4' energy: -161.903 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -44.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -878.187668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.187668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.187668 (E_RNA) where: Base-Base interactions energy: -389.368 where: short stacking energy: -266.143 Base-Backbone interact. energy: 9.458 local terms energy: -498.278097 where: bonds (distance) C4'-P energy: -144.891 bonds (distance) P-C4' energy: -158.458 flat angles C4'-P-C4' energy: -122.865 flat angles P-C4'-P energy: -83.812 tors. eta vs tors. theta energy: 11.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -765.860771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.860771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.860771 (E_RNA) where: Base-Base interactions energy: -327.230 where: short stacking energy: -224.004 Base-Backbone interact. energy: 4.382 local terms energy: -443.012246 where: bonds (distance) C4'-P energy: -140.526 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -111.353 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: 18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2488.177469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.177469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.177469 (E_RNA) where: Base-Base interactions energy: -1585.762 where: short stacking energy: -815.581 Base-Backbone interact. energy: -0.343 local terms energy: -902.072080 where: bonds (distance) C4'-P energy: -173.438 bonds (distance) P-C4' energy: -183.667 flat angles C4'-P-C4' energy: -202.959 flat angles P-C4'-P energy: -131.925 tors. eta vs tors. theta energy: -210.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2217.885146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.885146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.885146 (E_RNA) where: Base-Base interactions energy: -1363.162 where: short stacking energy: -704.181 Base-Backbone interact. energy: 1.307 local terms energy: -856.030530 where: bonds (distance) C4'-P energy: -169.394 bonds (distance) P-C4' energy: -171.945 flat angles C4'-P-C4' energy: -198.427 flat angles P-C4'-P energy: -130.441 tors. eta vs tors. theta energy: -185.824 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: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1947.323457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.323457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.323457 (E_RNA) where: Base-Base interactions energy: -1150.144 where: short stacking energy: -669.596 Base-Backbone interact. energy: -3.391 local terms energy: -793.788013 where: bonds (distance) C4'-P energy: -156.892 bonds (distance) P-C4' energy: -165.460 flat angles C4'-P-C4' energy: -188.021 flat angles P-C4'-P energy: -120.221 tors. eta vs tors. theta energy: -163.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1854.490783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.490783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.490783 (E_RNA) where: Base-Base interactions energy: -1074.006 where: short stacking energy: -579.244 Base-Backbone interact. energy: -0.650 local terms energy: -779.834807 where: bonds (distance) C4'-P energy: -182.113 bonds (distance) P-C4' energy: -171.635 flat angles C4'-P-C4' energy: -176.055 flat angles P-C4'-P energy: -121.235 tors. eta vs tors. theta energy: -128.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1480.838622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.838622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.838622 (E_RNA) where: Base-Base interactions energy: -788.031 where: short stacking energy: -480.793 Base-Backbone interact. energy: 0.252 local terms energy: -693.059505 where: bonds (distance) C4'-P energy: -157.420 bonds (distance) P-C4' energy: -182.435 flat angles C4'-P-C4' energy: -160.088 flat angles P-C4'-P energy: -104.554 tors. eta vs tors. theta energy: -88.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1529.774749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.774749 (E_RNA) where: Base-Base interactions energy: -853.600 where: short stacking energy: -463.627 Base-Backbone interact. energy: 2.392 local terms energy: -678.566610 where: bonds (distance) C4'-P energy: -165.601 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -175.671 flat angles P-C4'-P energy: -100.723 tors. eta vs tors. theta energy: -92.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1349.041504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.041504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.041504 (E_RNA) where: Base-Base interactions energy: -764.943 where: short stacking energy: -421.630 Base-Backbone interact. energy: 6.674 local terms energy: -590.772150 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -165.644 flat angles C4'-P-C4' energy: -142.448 flat angles P-C4'-P energy: -85.507 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: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1147.436231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.436231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.436231 (E_RNA) where: Base-Base interactions energy: -563.755 where: short stacking energy: -336.686 Base-Backbone interact. energy: -0.556 local terms energy: -583.124857 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -170.674 flat angles C4'-P-C4' energy: -171.082 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -34.284 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: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -912.677731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.677731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.677731 (E_RNA) where: Base-Base interactions energy: -395.752 where: short stacking energy: -254.697 Base-Backbone interact. energy: -2.600 local terms energy: -514.326558 where: bonds (distance) C4'-P energy: -140.135 bonds (distance) P-C4' energy: -167.863 flat angles C4'-P-C4' energy: -150.895 flat angles P-C4'-P energy: -67.154 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -847.162985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.162985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.162985 (E_RNA) where: Base-Base interactions energy: -383.373 where: short stacking energy: -266.924 Base-Backbone interact. energy: 6.484 local terms energy: -470.273859 where: bonds (distance) C4'-P energy: -150.194 bonds (distance) P-C4' energy: -133.729 flat angles C4'-P-C4' energy: -127.860 flat angles P-C4'-P energy: -52.296 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2452.466973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.466973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.466973 (E_RNA) where: Base-Base interactions energy: -1539.097 where: short stacking energy: -806.319 Base-Backbone interact. energy: -3.483 local terms energy: -909.886957 where: bonds (distance) C4'-P energy: -179.626 bonds (distance) P-C4' energy: -200.147 flat angles C4'-P-C4' energy: -198.295 flat angles P-C4'-P energy: -123.925 tors. eta vs tors. theta energy: -207.894 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: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2241.918278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.918278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.918278 (E_RNA) where: Base-Base interactions energy: -1387.951 where: short stacking energy: -732.809 Base-Backbone interact. energy: 0.823 local terms energy: -854.789830 where: bonds (distance) C4'-P energy: -173.125 bonds (distance) P-C4' energy: -180.171 flat angles C4'-P-C4' energy: -178.986 flat angles P-C4'-P energy: -126.530 tors. eta vs tors. theta energy: -195.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2010.973551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.973551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.973551 (E_RNA) where: Base-Base interactions energy: -1214.886 where: short stacking energy: -641.744 Base-Backbone interact. energy: -4.833 local terms energy: -791.254885 where: bonds (distance) C4'-P energy: -161.988 bonds (distance) P-C4' energy: -179.696 flat angles C4'-P-C4' energy: -181.937 flat angles P-C4'-P energy: -113.353 tors. eta vs tors. theta energy: -154.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1890.144848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.144848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.144848 (E_RNA) where: Base-Base interactions energy: -1109.237 where: short stacking energy: -614.354 Base-Backbone interact. energy: -1.530 local terms energy: -779.378634 where: bonds (distance) C4'-P energy: -162.826 bonds (distance) P-C4' energy: -188.150 flat angles C4'-P-C4' energy: -181.731 flat angles P-C4'-P energy: -104.338 tors. eta vs tors. theta energy: -142.334 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: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1521.836255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.836255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.836255 (E_RNA) where: Base-Base interactions energy: -817.329 where: short stacking energy: -487.946 Base-Backbone interact. energy: -2.537 local terms energy: -701.969574 where: bonds (distance) C4'-P energy: -186.081 bonds (distance) P-C4' energy: -167.902 flat angles C4'-P-C4' energy: -159.956 flat angles P-C4'-P energy: -91.461 tors. eta vs tors. theta energy: -96.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1547.816850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.816850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.816850 (E_RNA) where: Base-Base interactions energy: -887.829 where: short stacking energy: -457.794 Base-Backbone interact. energy: -4.036 local terms energy: -655.952334 where: bonds (distance) C4'-P energy: -157.612 bonds (distance) P-C4' energy: -162.744 flat angles C4'-P-C4' energy: -159.482 flat angles P-C4'-P energy: -95.297 tors. eta vs tors. theta energy: -80.818 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: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1306.060643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.060643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.060643 (E_RNA) where: Base-Base interactions energy: -705.046 where: short stacking energy: -394.199 Base-Backbone interact. energy: -2.319 local terms energy: -598.695535 where: bonds (distance) C4'-P energy: -154.489 bonds (distance) P-C4' energy: -170.883 flat angles C4'-P-C4' energy: -134.180 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -53.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1179.876252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.876252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.876252 (E_RNA) where: Base-Base interactions energy: -620.543 where: short stacking energy: -369.989 Base-Backbone interact. energy: 3.701 local terms energy: -563.034300 where: bonds (distance) C4'-P energy: -143.270 bonds (distance) P-C4' energy: -161.078 flat angles C4'-P-C4' energy: -143.085 flat angles P-C4'-P energy: -83.690 tors. eta vs tors. theta energy: -31.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -978.374608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.374608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.374608 (E_RNA) where: Base-Base interactions energy: -514.790 where: short stacking energy: -313.104 Base-Backbone interact. energy: 0.311 local terms energy: -463.895234 where: bonds (distance) C4'-P energy: -123.901 bonds (distance) P-C4' energy: -156.509 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -46.735 tors. eta vs tors. theta energy: 2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -821.783130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.783130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.783130 (E_RNA) where: Base-Base interactions energy: -344.705 where: short stacking energy: -270.909 Base-Backbone interact. energy: 2.974 local terms energy: -480.052522 where: bonds (distance) C4'-P energy: -143.342 bonds (distance) P-C4' energy: -156.420 flat angles C4'-P-C4' energy: -125.152 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: 7.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2473.560983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.560983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.560983 (E_RNA) where: Base-Base interactions energy: -1573.879 where: short stacking energy: -836.478 Base-Backbone interact. energy: -3.698 local terms energy: -895.983590 where: bonds (distance) C4'-P energy: -166.707 bonds (distance) P-C4' energy: -173.033 flat angles C4'-P-C4' energy: -202.704 flat angles P-C4'-P energy: -131.311 tors. eta vs tors. theta energy: -222.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2231.669925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.669925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.669925 (E_RNA) where: Base-Base interactions energy: -1358.288 where: short stacking energy: -745.333 Base-Backbone interact. energy: -1.655 local terms energy: -871.726830 where: bonds (distance) C4'-P energy: -187.099 bonds (distance) P-C4' energy: -186.673 flat angles C4'-P-C4' energy: -185.608 flat angles P-C4'-P energy: -107.628 tors. eta vs tors. theta energy: -204.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2015.437151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.437151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.437151 (E_RNA) where: Base-Base interactions energy: -1215.747 where: short stacking energy: -663.186 Base-Backbone interact. energy: 2.050 local terms energy: -801.740685 where: bonds (distance) C4'-P energy: -153.991 bonds (distance) P-C4' energy: -184.017 flat angles C4'-P-C4' energy: -195.276 flat angles P-C4'-P energy: -107.272 tors. eta vs tors. theta energy: -161.184 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: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1875.741110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.741110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.741110 (E_RNA) where: Base-Base interactions energy: -1118.010 where: short stacking energy: -588.853 Base-Backbone interact. energy: 1.893 local terms energy: -759.624027 where: bonds (distance) C4'-P energy: -180.296 bonds (distance) P-C4' energy: -175.268 flat angles C4'-P-C4' energy: -173.873 flat angles P-C4'-P energy: -112.659 tors. eta vs tors. theta energy: -117.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1551.916582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.916582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.916582 (E_RNA) where: Base-Base interactions energy: -864.270 where: short stacking energy: -508.686 Base-Backbone interact. energy: -1.643 local terms energy: -686.003160 where: bonds (distance) C4'-P energy: -148.420 bonds (distance) P-C4' energy: -154.726 flat angles C4'-P-C4' energy: -163.802 flat angles P-C4'-P energy: -119.234 tors. eta vs tors. theta energy: -99.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1584.585752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.585752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.585752 (E_RNA) where: Base-Base interactions energy: -895.537 where: short stacking energy: -463.363 Base-Backbone interact. energy: -3.169 local terms energy: -685.879526 where: bonds (distance) C4'-P energy: -163.653 bonds (distance) P-C4' energy: -156.645 flat angles C4'-P-C4' energy: -166.917 flat angles P-C4'-P energy: -103.266 tors. eta vs tors. theta energy: -95.399 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: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1261.080782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.080782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.080782 (E_RNA) where: Base-Base interactions energy: -676.098 where: short stacking energy: -395.721 Base-Backbone interact. energy: 4.348 local terms energy: -589.330347 where: bonds (distance) C4'-P energy: -124.831 bonds (distance) P-C4' energy: -170.854 flat angles C4'-P-C4' energy: -159.785 flat angles P-C4'-P energy: -91.528 tors. eta vs tors. theta energy: -42.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1245.393983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.393983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.393983 (E_RNA) where: Base-Base interactions energy: -672.737 where: short stacking energy: -344.531 Base-Backbone interact. energy: 0.084 local terms energy: -572.741203 where: bonds (distance) C4'-P energy: -129.019 bonds (distance) P-C4' energy: -159.822 flat angles C4'-P-C4' energy: -146.465 flat angles P-C4'-P energy: -98.282 tors. eta vs tors. theta energy: -39.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1022.903485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.903485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.903485 (E_RNA) where: Base-Base interactions energy: -533.426 where: short stacking energy: -279.699 Base-Backbone interact. energy: -0.033 local terms energy: -489.444867 where: bonds (distance) C4'-P energy: -128.565 bonds (distance) P-C4' energy: -164.474 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -60.013 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: 2 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -755.478812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.478812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.478812 (E_RNA) where: Base-Base interactions energy: -332.507 where: short stacking energy: -229.636 Base-Backbone interact. energy: -4.947 local terms energy: -418.024605 where: bonds (distance) C4'-P energy: -143.886 bonds (distance) P-C4' energy: -150.812 flat angles C4'-P-C4' energy: -88.576 flat angles P-C4'-P energy: -42.472 tors. eta vs tors. theta energy: 7.722 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: 30 Temperature: 0.900000 Total energy: -2480.554862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.554862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.554862 (E_RNA) where: Base-Base interactions energy: -1580.387 where: short stacking energy: -790.780 Base-Backbone interact. energy: -5.285 local terms energy: -894.882757 where: bonds (distance) C4'-P energy: -177.853 bonds (distance) P-C4' energy: -195.814 flat angles C4'-P-C4' energy: -185.333 flat angles P-C4'-P energy: -131.690 tors. eta vs tors. theta energy: -204.192 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: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2270.923282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.923282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.923282 (E_RNA) where: Base-Base interactions energy: -1409.875 where: short stacking energy: -743.804 Base-Backbone interact. energy: -3.110 local terms energy: -857.938233 where: bonds (distance) C4'-P energy: -179.168 bonds (distance) P-C4' energy: -173.731 flat angles C4'-P-C4' energy: -195.448 flat angles P-C4'-P energy: -108.818 tors. eta vs tors. theta energy: -200.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2008.957668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.957668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.957668 (E_RNA) where: Base-Base interactions energy: -1180.461 where: short stacking energy: -649.412 Base-Backbone interact. energy: 4.839 local terms energy: -833.335347 where: bonds (distance) C4'-P energy: -203.431 bonds (distance) P-C4' energy: -173.503 flat angles C4'-P-C4' energy: -188.647 flat angles P-C4'-P energy: -112.433 tors. eta vs tors. theta energy: -155.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1868.648109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.648109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.648109 (E_RNA) where: Base-Base interactions energy: -1111.827 where: short stacking energy: -614.517 Base-Backbone interact. energy: -1.937 local terms energy: -754.884822 where: bonds (distance) C4'-P energy: -155.855 bonds (distance) P-C4' energy: -159.419 flat angles C4'-P-C4' energy: -170.651 flat angles P-C4'-P energy: -108.215 tors. eta vs tors. theta energy: -160.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1653.927592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.927592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.927592 (E_RNA) where: Base-Base interactions energy: -935.186 where: short stacking energy: -526.300 Base-Backbone interact. energy: 0.685 local terms energy: -719.426716 where: bonds (distance) C4'-P energy: -150.931 bonds (distance) P-C4' energy: -190.677 flat angles C4'-P-C4' energy: -160.409 flat angles P-C4'-P energy: -119.560 tors. eta vs tors. theta energy: -97.850 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: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1501.828915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.828915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.828915 (E_RNA) where: Base-Base interactions energy: -808.571 where: short stacking energy: -434.875 Base-Backbone interact. energy: 2.141 local terms energy: -695.398497 where: bonds (distance) C4'-P energy: -180.504 bonds (distance) P-C4' energy: -159.907 flat angles C4'-P-C4' energy: -152.972 flat angles P-C4'-P energy: -117.546 tors. eta vs tors. theta energy: -84.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1309.747150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.747150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.747150 (E_RNA) where: Base-Base interactions energy: -691.150 where: short stacking energy: -378.040 Base-Backbone interact. energy: -0.224 local terms energy: -618.372735 where: bonds (distance) C4'-P energy: -157.628 bonds (distance) P-C4' energy: -171.235 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -93.633 tors. eta vs tors. theta energy: -38.884 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: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1265.657315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.657315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.657315 (E_RNA) where: Base-Base interactions energy: -718.637 where: short stacking energy: -395.616 Base-Backbone interact. energy: -2.218 local terms energy: -544.802006 where: bonds (distance) C4'-P energy: -156.015 bonds (distance) P-C4' energy: -149.111 flat angles C4'-P-C4' energy: -132.901 flat angles P-C4'-P energy: -77.794 tors. eta vs tors. theta energy: -28.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -943.572466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.572466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.572466 (E_RNA) where: Base-Base interactions energy: -446.365 where: short stacking energy: -247.350 Base-Backbone interact. energy: 6.577 local terms energy: -503.784883 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -149.944 flat angles C4'-P-C4' energy: -149.800 flat angles P-C4'-P energy: -84.084 tors. eta vs tors. theta energy: 6.054 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: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -790.580768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.580768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.580768 (E_RNA) where: Base-Base interactions energy: -315.626 where: short stacking energy: -212.628 Base-Backbone interact. energy: -0.055 local terms energy: -474.899323 where: bonds (distance) C4'-P energy: -146.141 bonds (distance) P-C4' energy: -134.179 flat angles C4'-P-C4' energy: -135.049 flat angles P-C4'-P energy: -84.141 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: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2485.931894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.931894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.931894 (E_RNA) where: Base-Base interactions energy: -1604.031 where: short stacking energy: -837.542 Base-Backbone interact. energy: -3.194 local terms energy: -878.707101 where: bonds (distance) C4'-P energy: -155.886 bonds (distance) P-C4' energy: -191.478 flat angles C4'-P-C4' energy: -191.367 flat angles P-C4'-P energy: -130.735 tors. eta vs tors. theta energy: -209.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2316.926431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.926431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.926431 (E_RNA) where: Base-Base interactions energy: -1412.213 where: short stacking energy: -750.942 Base-Backbone interact. energy: -3.859 local terms energy: -900.854981 where: bonds (distance) C4'-P energy: -180.416 bonds (distance) P-C4' energy: -184.354 flat angles C4'-P-C4' energy: -192.521 flat angles P-C4'-P energy: -122.385 tors. eta vs tors. theta energy: -221.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2079.431784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.431784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.431784 (E_RNA) where: Base-Base interactions energy: -1250.539 where: short stacking energy: -673.190 Base-Backbone interact. energy: -2.034 local terms energy: -826.858538 where: bonds (distance) C4'-P energy: -183.741 bonds (distance) P-C4' energy: -174.290 flat angles C4'-P-C4' energy: -187.503 flat angles P-C4'-P energy: -117.665 tors. eta vs tors. theta energy: -163.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1963.277167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.277167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.277167 (E_RNA) where: Base-Base interactions energy: -1174.709 where: short stacking energy: -649.496 Base-Backbone interact. energy: -2.670 local terms energy: -785.897779 where: bonds (distance) C4'-P energy: -181.922 bonds (distance) P-C4' energy: -162.638 flat angles C4'-P-C4' energy: -188.806 flat angles P-C4'-P energy: -100.035 tors. eta vs tors. theta energy: -152.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1649.184496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.184496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.184496 (E_RNA) where: Base-Base interactions energy: -994.828 where: short stacking energy: -524.754 Base-Backbone interact. energy: 0.336 local terms energy: -654.692571 where: bonds (distance) C4'-P energy: -170.673 bonds (distance) P-C4' energy: -165.068 flat angles C4'-P-C4' energy: -138.250 flat angles P-C4'-P energy: -97.161 tors. eta vs tors. theta energy: -83.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1483.761737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.761737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.761737 (E_RNA) where: Base-Base interactions energy: -781.733 where: short stacking energy: -460.616 Base-Backbone interact. energy: 1.015 local terms energy: -703.044208 where: bonds (distance) C4'-P energy: -170.368 bonds (distance) P-C4' energy: -165.512 flat angles C4'-P-C4' energy: -174.394 flat angles P-C4'-P energy: -106.017 tors. eta vs tors. theta energy: -86.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1304.189019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.189019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.189019 (E_RNA) where: Base-Base interactions energy: -683.779 where: short stacking energy: -374.183 Base-Backbone interact. energy: -3.428 local terms energy: -616.981769 where: bonds (distance) C4'-P energy: -169.937 bonds (distance) P-C4' energy: -156.570 flat angles C4'-P-C4' energy: -162.592 flat angles P-C4'-P energy: -95.763 tors. eta vs tors. theta energy: -32.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1216.446328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.446328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.446328 (E_RNA) where: Base-Base interactions energy: -634.478 where: short stacking energy: -357.686 Base-Backbone interact. energy: -1.661 local terms energy: -580.307715 where: bonds (distance) C4'-P energy: -135.716 bonds (distance) P-C4' energy: -178.851 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -73.226 tors. eta vs tors. theta energy: -46.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1057.188815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.188815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.188815 (E_RNA) where: Base-Base interactions energy: -556.422 where: short stacking energy: -309.422 Base-Backbone interact. energy: 1.248 local terms energy: -502.014482 where: bonds (distance) C4'-P energy: -130.051 bonds (distance) P-C4' energy: -145.159 flat angles C4'-P-C4' energy: -142.211 flat angles P-C4'-P energy: -70.563 tors. eta vs tors. theta energy: -14.031 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: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -706.475753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.475753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.475753 (E_RNA) where: Base-Base interactions energy: -274.835 where: short stacking energy: -222.949 Base-Backbone interact. energy: 3.327 local terms energy: -434.967336 where: bonds (distance) C4'-P energy: -137.185 bonds (distance) P-C4' energy: -138.931 flat angles C4'-P-C4' energy: -121.518 flat angles P-C4'-P energy: -71.797 tors. eta vs tors. theta energy: 34.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2497.579576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.579576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.579576 (E_RNA) where: Base-Base interactions energy: -1612.175 where: short stacking energy: -813.307 Base-Backbone interact. energy: -0.761 local terms energy: -884.643965 where: bonds (distance) C4'-P energy: -177.687 bonds (distance) P-C4' energy: -185.800 flat angles C4'-P-C4' energy: -201.752 flat angles P-C4'-P energy: -115.386 tors. eta vs tors. theta energy: -204.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2291.169304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.169304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.169304 (E_RNA) where: Base-Base interactions energy: -1412.944 where: short stacking energy: -728.346 Base-Backbone interact. energy: -1.108 local terms energy: -877.117316 where: bonds (distance) C4'-P energy: -159.589 bonds (distance) P-C4' energy: -202.114 flat angles C4'-P-C4' energy: -185.465 flat angles P-C4'-P energy: -123.095 tors. eta vs tors. theta energy: -206.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2158.888552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.888552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.888552 (E_RNA) where: Base-Base interactions energy: -1348.375 where: short stacking energy: -705.547 Base-Backbone interact. energy: 3.830 local terms energy: -814.343321 where: bonds (distance) C4'-P energy: -156.899 bonds (distance) P-C4' energy: -179.298 flat angles C4'-P-C4' energy: -164.129 flat angles P-C4'-P energy: -129.401 tors. eta vs tors. theta energy: -184.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1869.763757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.763757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.763757 (E_RNA) where: Base-Base interactions energy: -1076.698 where: short stacking energy: -598.886 Base-Backbone interact. energy: -1.157 local terms energy: -791.907997 where: bonds (distance) C4'-P energy: -165.556 bonds (distance) P-C4' energy: -174.737 flat angles C4'-P-C4' energy: -177.991 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -150.112 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: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1740.988946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.988946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.988946 (E_RNA) where: Base-Base interactions energy: -1015.200 where: short stacking energy: -560.778 Base-Backbone interact. energy: -1.282 local terms energy: -724.507396 where: bonds (distance) C4'-P energy: -143.101 bonds (distance) P-C4' energy: -179.441 flat angles C4'-P-C4' energy: -187.336 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -108.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1509.179532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.179532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.179532 (E_RNA) where: Base-Base interactions energy: -825.161 where: short stacking energy: -480.228 Base-Backbone interact. energy: -0.479 local terms energy: -683.539200 where: bonds (distance) C4'-P energy: -166.393 bonds (distance) P-C4' energy: -160.650 flat angles C4'-P-C4' energy: -154.995 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -93.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1449.410219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.410219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.410219 (E_RNA) where: Base-Base interactions energy: -810.936 where: short stacking energy: -454.049 Base-Backbone interact. energy: -2.243 local terms energy: -636.231469 where: bonds (distance) C4'-P energy: -147.419 bonds (distance) P-C4' energy: -187.137 flat angles C4'-P-C4' energy: -142.350 flat angles P-C4'-P energy: -82.815 tors. eta vs tors. theta energy: -76.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1170.416113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.416113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.416113 (E_RNA) where: Base-Base interactions energy: -658.658 where: short stacking energy: -373.723 Base-Backbone interact. energy: 2.649 local terms energy: -514.407282 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -139.335 flat angles C4'-P-C4' energy: -119.890 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -31.618 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: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1054.933002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.933002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.933002 (E_RNA) where: Base-Base interactions energy: -535.926 where: short stacking energy: -282.160 Base-Backbone interact. energy: -0.422 local terms energy: -518.585372 where: bonds (distance) C4'-P energy: -145.476 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -141.140 flat angles P-C4'-P energy: -85.259 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -662.820193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.820193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.820193 (E_RNA) where: Base-Base interactions energy: -246.787 where: short stacking energy: -169.472 Base-Backbone interact. energy: 13.182 local terms energy: -429.215187 where: bonds (distance) C4'-P energy: -154.647 bonds (distance) P-C4' energy: -141.219 flat angles C4'-P-C4' energy: -106.448 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: 42.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2557.062223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.062223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.062223 (E_RNA) where: Base-Base interactions energy: -1618.208 where: short stacking energy: -798.422 Base-Backbone interact. energy: -4.509 local terms energy: -934.344939 where: bonds (distance) C4'-P energy: -190.576 bonds (distance) P-C4' energy: -197.573 flat angles C4'-P-C4' energy: -198.609 flat angles P-C4'-P energy: -127.326 tors. eta vs tors. theta energy: -220.261 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: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2274.202501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.202501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.202501 (E_RNA) where: Base-Base interactions energy: -1389.331 where: short stacking energy: -778.487 Base-Backbone interact. energy: 1.518 local terms energy: -886.389614 where: bonds (distance) C4'-P energy: -162.628 bonds (distance) P-C4' energy: -195.887 flat angles C4'-P-C4' energy: -198.704 flat angles P-C4'-P energy: -119.175 tors. eta vs tors. theta energy: -209.995 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: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2158.133625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.133625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.133625 (E_RNA) where: Base-Base interactions energy: -1353.408 where: short stacking energy: -690.466 Base-Backbone interact. energy: 2.695 local terms energy: -807.421169 where: bonds (distance) C4'-P energy: -162.620 bonds (distance) P-C4' energy: -170.330 flat angles C4'-P-C4' energy: -180.414 flat angles P-C4'-P energy: -111.671 tors. eta vs tors. theta energy: -182.386 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: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1910.695783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.695783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.695783 (E_RNA) where: Base-Base interactions energy: -1169.327 where: short stacking energy: -650.143 Base-Backbone interact. energy: -2.755 local terms energy: -738.614280 where: bonds (distance) C4'-P energy: -149.716 bonds (distance) P-C4' energy: -152.759 flat angles C4'-P-C4' energy: -173.549 flat angles P-C4'-P energy: -121.754 tors. eta vs tors. theta energy: -140.836 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: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1787.464287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.464287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.464287 (E_RNA) where: Base-Base interactions energy: -1084.470 where: short stacking energy: -555.307 Base-Backbone interact. energy: -5.864 local terms energy: -697.129813 where: bonds (distance) C4'-P energy: -157.956 bonds (distance) P-C4' energy: -153.272 flat angles C4'-P-C4' energy: -151.265 flat angles P-C4'-P energy: -100.047 tors. eta vs tors. theta energy: -134.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1576.319055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.319055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.319055 (E_RNA) where: Base-Base interactions energy: -897.861 where: short stacking energy: -530.167 Base-Backbone interact. energy: -4.294 local terms energy: -674.163440 where: bonds (distance) C4'-P energy: -153.502 bonds (distance) P-C4' energy: -155.055 flat angles C4'-P-C4' energy: -153.304 flat angles P-C4'-P energy: -101.096 tors. eta vs tors. theta energy: -111.207 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1381.997405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.997405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.997405 (E_RNA) where: Base-Base interactions energy: -820.268 where: short stacking energy: -429.876 Base-Backbone interact. energy: 2.337 local terms energy: -564.066825 where: bonds (distance) C4'-P energy: -118.719 bonds (distance) P-C4' energy: -167.160 flat angles C4'-P-C4' energy: -160.641 flat angles P-C4'-P energy: -57.888 tors. eta vs tors. theta energy: -59.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1176.696703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.696703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.696703 (E_RNA) where: Base-Base interactions energy: -607.419 where: short stacking energy: -336.730 Base-Backbone interact. energy: 1.818 local terms energy: -571.095642 where: bonds (distance) C4'-P energy: -167.818 bonds (distance) P-C4' energy: -149.884 flat angles C4'-P-C4' energy: -134.167 flat angles P-C4'-P energy: -92.117 tors. eta vs tors. theta energy: -27.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -984.542621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.542621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.542621 (E_RNA) where: Base-Base interactions energy: -511.129 where: short stacking energy: -305.063 Base-Backbone interact. energy: 3.970 local terms energy: -477.384336 where: bonds (distance) C4'-P energy: -147.506 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -121.451 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: 2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -735.960919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.960919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.960919 (E_RNA) where: Base-Base interactions energy: -264.310 where: short stacking energy: -205.782 Base-Backbone interact. energy: 7.580 local terms energy: -479.231076 where: bonds (distance) C4'-P energy: -155.196 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -138.639 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: 42.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2567.704432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.704432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.704432 (E_RNA) where: Base-Base interactions energy: -1636.972 where: short stacking energy: -804.296 Base-Backbone interact. energy: -3.016 local terms energy: -927.716680 where: bonds (distance) C4'-P energy: -172.210 bonds (distance) P-C4' energy: -202.045 flat angles C4'-P-C4' energy: -195.891 flat angles P-C4'-P energy: -144.372 tors. eta vs tors. theta energy: -213.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2306.880751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.880751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.880751 (E_RNA) where: Base-Base interactions energy: -1411.473 where: short stacking energy: -770.498 Base-Backbone interact. energy: -3.399 local terms energy: -892.008488 where: bonds (distance) C4'-P energy: -175.557 bonds (distance) P-C4' energy: -194.334 flat angles C4'-P-C4' energy: -187.101 flat angles P-C4'-P energy: -126.212 tors. eta vs tors. theta energy: -208.805 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: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2173.165963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.165963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.165963 (E_RNA) where: Base-Base interactions energy: -1387.851 where: short stacking energy: -700.382 Base-Backbone interact. energy: 1.088 local terms energy: -786.403736 where: bonds (distance) C4'-P energy: -169.295 bonds (distance) P-C4' energy: -170.163 flat angles C4'-P-C4' energy: -168.796 flat angles P-C4'-P energy: -116.781 tors. eta vs tors. theta energy: -161.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1968.380762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.380762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.380762 (E_RNA) where: Base-Base interactions energy: -1202.911 where: short stacking energy: -671.028 Base-Backbone interact. energy: 1.206 local terms energy: -766.675885 where: bonds (distance) C4'-P energy: -171.743 bonds (distance) P-C4' energy: -162.640 flat angles C4'-P-C4' energy: -178.357 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -165.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1750.317157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.317157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.317157 (E_RNA) where: Base-Base interactions energy: -1012.861 where: short stacking energy: -522.328 Base-Backbone interact. energy: -4.175 local terms energy: -733.281170 where: bonds (distance) C4'-P energy: -165.347 bonds (distance) P-C4' energy: -184.920 flat angles C4'-P-C4' energy: -165.578 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -112.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1564.098458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.098458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.098458 (E_RNA) where: Base-Base interactions energy: -842.468 where: short stacking energy: -461.051 Base-Backbone interact. energy: 0.089 local terms energy: -721.719121 where: bonds (distance) C4'-P energy: -159.161 bonds (distance) P-C4' energy: -187.511 flat angles C4'-P-C4' energy: -164.156 flat angles P-C4'-P energy: -109.659 tors. eta vs tors. theta energy: -101.232 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: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1405.432185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.432185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.432185 (E_RNA) where: Base-Base interactions energy: -784.739 where: short stacking energy: -424.513 Base-Backbone interact. energy: 0.817 local terms energy: -621.510801 where: bonds (distance) C4'-P energy: -144.100 bonds (distance) P-C4' energy: -152.432 flat angles C4'-P-C4' energy: -147.144 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -77.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1268.511838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.511838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.511838 (E_RNA) where: Base-Base interactions energy: -716.822 where: short stacking energy: -376.751 Base-Backbone interact. energy: 5.003 local terms energy: -556.693316 where: bonds (distance) C4'-P energy: -163.145 bonds (distance) P-C4' energy: -150.441 flat angles C4'-P-C4' energy: -137.238 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -37.622 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: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -964.920355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.920355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.920355 (E_RNA) where: Base-Base interactions energy: -517.931 where: short stacking energy: -286.992 Base-Backbone interact. energy: 4.995 local terms energy: -451.984185 where: bonds (distance) C4'-P energy: -143.508 bonds (distance) P-C4' energy: -130.366 flat angles C4'-P-C4' energy: -107.546 flat angles P-C4'-P energy: -48.950 tors. eta vs tors. theta energy: -21.614 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: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -740.004553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.004553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.004553 (E_RNA) where: Base-Base interactions energy: -281.416 where: short stacking energy: -184.857 Base-Backbone interact. energy: 3.706 local terms energy: -462.294136 where: bonds (distance) C4'-P energy: -158.325 bonds (distance) P-C4' energy: -155.079 flat angles C4'-P-C4' energy: -117.041 flat angles P-C4'-P energy: -72.520 tors. eta vs tors. theta energy: 40.670 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: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2561.090326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.090326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.090326 (E_RNA) where: Base-Base interactions energy: -1634.421 where: short stacking energy: -788.155 Base-Backbone interact. energy: -5.245 local terms energy: -921.424014 where: bonds (distance) C4'-P energy: -190.708 bonds (distance) P-C4' energy: -189.781 flat angles C4'-P-C4' energy: -193.101 flat angles P-C4'-P energy: -134.098 tors. eta vs tors. theta energy: -213.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2304.112164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.112164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.112164 (E_RNA) where: Base-Base interactions energy: -1387.569 where: short stacking energy: -742.852 Base-Backbone interact. energy: -3.702 local terms energy: -912.840543 where: bonds (distance) C4'-P energy: -176.636 bonds (distance) P-C4' energy: -190.398 flat angles C4'-P-C4' energy: -198.802 flat angles P-C4'-P energy: -129.826 tors. eta vs tors. theta energy: -217.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2239.078703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.078703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.078703 (E_RNA) where: Base-Base interactions energy: -1417.297 where: short stacking energy: -717.704 Base-Backbone interact. energy: -3.117 local terms energy: -818.664603 where: bonds (distance) C4'-P energy: -161.834 bonds (distance) P-C4' energy: -172.067 flat angles C4'-P-C4' energy: -165.754 flat angles P-C4'-P energy: -126.753 tors. eta vs tors. theta energy: -192.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1987.956148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.956148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.956148 (E_RNA) where: Base-Base interactions energy: -1210.563 where: short stacking energy: -623.450 Base-Backbone interact. energy: -5.411 local terms energy: -771.982470 where: bonds (distance) C4'-P energy: -173.671 bonds (distance) P-C4' energy: -169.759 flat angles C4'-P-C4' energy: -175.814 flat angles P-C4'-P energy: -100.319 tors. eta vs tors. theta energy: -152.420 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: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1769.343152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.343152 (E_RNA) where: Base-Base interactions energy: -1033.946 where: short stacking energy: -511.738 Base-Backbone interact. energy: -1.925 local terms energy: -733.471662 where: bonds (distance) C4'-P energy: -167.543 bonds (distance) P-C4' energy: -171.485 flat angles C4'-P-C4' energy: -170.069 flat angles P-C4'-P energy: -106.254 tors. eta vs tors. theta energy: -118.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1625.403489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.403489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.403489 (E_RNA) where: Base-Base interactions energy: -935.934 where: short stacking energy: -499.818 Base-Backbone interact. energy: -0.217 local terms energy: -689.252102 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -164.729 flat angles C4'-P-C4' energy: -156.636 flat angles P-C4'-P energy: -108.246 tors. eta vs tors. theta energy: -113.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1398.039821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.039821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.039821 (E_RNA) where: Base-Base interactions energy: -800.644 where: short stacking energy: -416.858 Base-Backbone interact. energy: 6.478 local terms energy: -603.874299 where: bonds (distance) C4'-P energy: -149.010 bonds (distance) P-C4' energy: -169.227 flat angles C4'-P-C4' energy: -161.641 flat angles P-C4'-P energy: -68.025 tors. eta vs tors. theta energy: -55.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1290.012474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.012474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.012474 (E_RNA) where: Base-Base interactions energy: -748.511 where: short stacking energy: -402.826 Base-Backbone interact. energy: 1.856 local terms energy: -543.358064 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -149.991 flat angles C4'-P-C4' energy: -146.995 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -36.383 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: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1016.490094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.490094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.490094 (E_RNA) where: Base-Base interactions energy: -505.326 where: short stacking energy: -279.346 Base-Backbone interact. energy: 1.121 local terms energy: -512.285190 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -167.988 flat angles C4'-P-C4' energy: -121.857 flat angles P-C4'-P energy: -63.470 tors. eta vs tors. theta energy: -16.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -670.018773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.018773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.018773 (E_RNA) where: Base-Base interactions energy: -211.142 where: short stacking energy: -177.510 Base-Backbone interact. energy: 1.886 local terms energy: -460.762981 where: bonds (distance) C4'-P energy: -158.550 bonds (distance) P-C4' energy: -139.531 flat angles C4'-P-C4' energy: -115.019 flat angles P-C4'-P energy: -76.600 tors. eta vs tors. theta energy: 28.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2585.374854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.374854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.374854 (E_RNA) where: Base-Base interactions energy: -1664.289 where: short stacking energy: -825.970 Base-Backbone interact. energy: -2.033 local terms energy: -919.053056 where: bonds (distance) C4'-P energy: -171.289 bonds (distance) P-C4' energy: -186.010 flat angles C4'-P-C4' energy: -201.543 flat angles P-C4'-P energy: -148.633 tors. eta vs tors. theta energy: -211.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2303.238917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.238917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.238917 (E_RNA) where: Base-Base interactions energy: -1426.843 where: short stacking energy: -760.462 Base-Backbone interact. energy: -3.397 local terms energy: -872.999470 where: bonds (distance) C4'-P energy: -174.375 bonds (distance) P-C4' energy: -173.603 flat angles C4'-P-C4' energy: -206.855 flat angles P-C4'-P energy: -117.056 tors. eta vs tors. theta energy: -201.112 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: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2294.584078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.584078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.584078 (E_RNA) where: Base-Base interactions energy: -1432.016 where: short stacking energy: -741.134 Base-Backbone interact. energy: -2.768 local terms energy: -859.800909 where: bonds (distance) C4'-P energy: -164.517 bonds (distance) P-C4' energy: -177.621 flat angles C4'-P-C4' energy: -194.918 flat angles P-C4'-P energy: -125.271 tors. eta vs tors. theta energy: -197.474 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: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1929.183149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.183149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.183149 (E_RNA) where: Base-Base interactions energy: -1169.971 where: short stacking energy: -630.899 Base-Backbone interact. energy: 0.443 local terms energy: -759.655286 where: bonds (distance) C4'-P energy: -165.564 bonds (distance) P-C4' energy: -173.633 flat angles C4'-P-C4' energy: -171.249 flat angles P-C4'-P energy: -107.338 tors. eta vs tors. theta energy: -141.872 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: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1776.285053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.285053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.285053 (E_RNA) where: Base-Base interactions energy: -1052.493 where: short stacking energy: -531.689 Base-Backbone interact. energy: -0.323 local terms energy: -723.469011 where: bonds (distance) C4'-P energy: -148.587 bonds (distance) P-C4' energy: -176.448 flat angles C4'-P-C4' energy: -182.461 flat angles P-C4'-P energy: -113.128 tors. eta vs tors. theta energy: -102.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1676.930236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.930236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.930236 (E_RNA) where: Base-Base interactions energy: -977.881 where: short stacking energy: -525.025 Base-Backbone interact. energy: -1.558 local terms energy: -697.491945 where: bonds (distance) C4'-P energy: -130.702 bonds (distance) P-C4' energy: -161.779 flat angles C4'-P-C4' energy: -173.153 flat angles P-C4'-P energy: -109.243 tors. eta vs tors. theta energy: -122.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1418.409262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.409262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.409262 (E_RNA) where: Base-Base interactions energy: -805.512 where: short stacking energy: -441.000 Base-Backbone interact. energy: 5.443 local terms energy: -618.340101 where: bonds (distance) C4'-P energy: -170.737 bonds (distance) P-C4' energy: -170.046 flat angles C4'-P-C4' energy: -141.067 flat angles P-C4'-P energy: -79.318 tors. eta vs tors. theta energy: -57.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1285.004333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.004333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.004333 (E_RNA) where: Base-Base interactions energy: -701.420 where: short stacking energy: -375.411 Base-Backbone interact. energy: 1.838 local terms energy: -585.421713 where: bonds (distance) C4'-P energy: -144.647 bonds (distance) P-C4' energy: -169.781 flat angles C4'-P-C4' energy: -150.223 flat angles P-C4'-P energy: -78.941 tors. eta vs tors. theta energy: -41.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1066.265887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.265887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.265887 (E_RNA) where: Base-Base interactions energy: -534.506 where: short stacking energy: -304.527 Base-Backbone interact. energy: -2.787 local terms energy: -528.972637 where: bonds (distance) C4'-P energy: -141.711 bonds (distance) P-C4' energy: -159.861 flat angles C4'-P-C4' energy: -137.150 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -11.764 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: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -696.337835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.337835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.337835 (E_RNA) where: Base-Base interactions energy: -272.157 where: short stacking energy: -218.412 Base-Backbone interact. energy: -1.082 local terms energy: -423.099706 where: bonds (distance) C4'-P energy: -138.648 bonds (distance) P-C4' energy: -115.622 flat angles C4'-P-C4' energy: -115.915 flat angles P-C4'-P energy: -79.452 tors. eta vs tors. theta energy: 26.538 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: 37 Temperature: 0.900000 Total energy: -2527.066115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.066115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.066115 (E_RNA) where: Base-Base interactions energy: -1621.177 where: short stacking energy: -790.393 Base-Backbone interact. energy: -1.564 local terms energy: -904.325886 where: bonds (distance) C4'-P energy: -172.661 bonds (distance) P-C4' energy: -193.188 flat angles C4'-P-C4' energy: -197.569 flat angles P-C4'-P energy: -123.684 tors. eta vs tors. theta energy: -217.224 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: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2488.493082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.493082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.493082 (E_RNA) where: Base-Base interactions energy: -1608.533 where: short stacking energy: -788.613 Base-Backbone interact. energy: -5.741 local terms energy: -874.218811 where: bonds (distance) C4'-P energy: -170.416 bonds (distance) P-C4' energy: -171.770 flat angles C4'-P-C4' energy: -195.066 flat angles P-C4'-P energy: -121.266 tors. eta vs tors. theta energy: -215.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2237.146389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.146389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.146389 (E_RNA) where: Base-Base interactions energy: -1349.245 where: short stacking energy: -716.866 Base-Backbone interact. energy: 0.460 local terms energy: -888.361804 where: bonds (distance) C4'-P energy: -173.412 bonds (distance) P-C4' energy: -191.214 flat angles C4'-P-C4' energy: -199.280 flat angles P-C4'-P energy: -125.376 tors. eta vs tors. theta energy: -199.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1935.458537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.458537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.458537 (E_RNA) where: Base-Base interactions energy: -1184.924 where: short stacking energy: -617.985 Base-Backbone interact. energy: 0.929 local terms energy: -751.464166 where: bonds (distance) C4'-P energy: -148.820 bonds (distance) P-C4' energy: -167.354 flat angles C4'-P-C4' energy: -176.478 flat angles P-C4'-P energy: -115.350 tors. eta vs tors. theta energy: -143.463 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: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1752.903470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.903470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.903470 (E_RNA) where: Base-Base interactions energy: -1025.566 where: short stacking energy: -549.347 Base-Backbone interact. energy: -1.321 local terms energy: -726.016708 where: bonds (distance) C4'-P energy: -131.453 bonds (distance) P-C4' energy: -186.984 flat angles C4'-P-C4' energy: -179.129 flat angles P-C4'-P energy: -105.723 tors. eta vs tors. theta energy: -122.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1576.639140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.639140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.639140 (E_RNA) where: Base-Base interactions energy: -908.697 where: short stacking energy: -504.415 Base-Backbone interact. energy: -2.784 local terms energy: -665.158470 where: bonds (distance) C4'-P energy: -153.922 bonds (distance) P-C4' energy: -162.120 flat angles C4'-P-C4' energy: -150.378 flat angles P-C4'-P energy: -95.916 tors. eta vs tors. theta energy: -102.822 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: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1522.516293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.516293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.516293 (E_RNA) where: Base-Base interactions energy: -902.908 where: short stacking energy: -452.771 Base-Backbone interact. energy: 2.291 local terms energy: -621.899056 where: bonds (distance) C4'-P energy: -143.746 bonds (distance) P-C4' energy: -168.782 flat angles C4'-P-C4' energy: -151.928 flat angles P-C4'-P energy: -78.242 tors. eta vs tors. theta energy: -79.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1362.288620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.288620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.288620 (E_RNA) where: Base-Base interactions energy: -785.003 where: short stacking energy: -402.804 Base-Backbone interact. energy: -0.268 local terms energy: -577.016927 where: bonds (distance) C4'-P energy: -153.790 bonds (distance) P-C4' energy: -133.727 flat angles C4'-P-C4' energy: -148.657 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -53.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1047.629613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.629613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.629613 (E_RNA) where: Base-Base interactions energy: -534.643 where: short stacking energy: -286.696 Base-Backbone interact. energy: 5.115 local terms energy: -518.101210 where: bonds (distance) C4'-P energy: -143.056 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -143.196 flat angles P-C4'-P energy: -82.678 tors. eta vs tors. theta energy: 7.894 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: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -652.470634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.470634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.470634 (E_RNA) where: Base-Base interactions energy: -203.385 where: short stacking energy: -174.940 Base-Backbone interact. energy: 5.020 local terms energy: -454.105600 where: bonds (distance) C4'-P energy: -134.067 bonds (distance) P-C4' energy: -160.906 flat angles C4'-P-C4' energy: -117.354 flat angles P-C4'-P energy: -90.200 tors. eta vs tors. theta energy: 48.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2644.247729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.247729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.247729 (E_RNA) where: Base-Base interactions energy: -1709.470 where: short stacking energy: -827.148 Base-Backbone interact. energy: -1.809 local terms energy: -932.968139 where: bonds (distance) C4'-P energy: -183.472 bonds (distance) P-C4' energy: -186.216 flat angles C4'-P-C4' energy: -197.706 flat angles P-C4'-P energy: -135.259 tors. eta vs tors. theta energy: -230.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2432.910992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.910992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.910992 (E_RNA) where: Base-Base interactions energy: -1556.534 where: short stacking energy: -740.888 Base-Backbone interact. energy: -7.721 local terms energy: -868.656350 where: bonds (distance) C4'-P energy: -171.956 bonds (distance) P-C4' energy: -185.695 flat angles C4'-P-C4' energy: -187.614 flat angles P-C4'-P energy: -119.044 tors. eta vs tors. theta energy: -204.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2181.808479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.808479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.808479 (E_RNA) where: Base-Base interactions energy: -1343.705 where: short stacking energy: -699.713 Base-Backbone interact. energy: -1.001 local terms energy: -837.102429 where: bonds (distance) C4'-P energy: -166.825 bonds (distance) P-C4' energy: -172.543 flat angles C4'-P-C4' energy: -196.165 flat angles P-C4'-P energy: -115.271 tors. eta vs tors. theta energy: -186.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1979.366539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.366539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.366539 (E_RNA) where: Base-Base interactions energy: -1203.855 where: short stacking energy: -638.126 Base-Backbone interact. energy: -1.048 local terms energy: -774.463558 where: bonds (distance) C4'-P energy: -169.335 bonds (distance) P-C4' energy: -178.227 flat angles C4'-P-C4' energy: -172.066 flat angles P-C4'-P energy: -108.266 tors. eta vs tors. theta energy: -146.570 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: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1685.437053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.437053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.437053 (E_RNA) where: Base-Base interactions energy: -958.651 where: short stacking energy: -507.776 Base-Backbone interact. energy: 0.172 local terms energy: -726.957371 where: bonds (distance) C4'-P energy: -168.366 bonds (distance) P-C4' energy: -164.914 flat angles C4'-P-C4' energy: -172.344 flat angles P-C4'-P energy: -122.795 tors. eta vs tors. theta energy: -98.538 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: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1605.778335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.778335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.778335 (E_RNA) where: Base-Base interactions energy: -928.648 where: short stacking energy: -493.845 Base-Backbone interact. energy: 0.061 local terms energy: -677.191334 where: bonds (distance) C4'-P energy: -157.466 bonds (distance) P-C4' energy: -153.689 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -109.419 tors. eta vs tors. theta energy: -112.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1510.483203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.483203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.483203 (E_RNA) where: Base-Base interactions energy: -865.905 where: short stacking energy: -443.365 Base-Backbone interact. energy: -1.157 local terms energy: -643.421021 where: bonds (distance) C4'-P energy: -165.895 bonds (distance) P-C4' energy: -167.609 flat angles C4'-P-C4' energy: -151.117 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -67.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1475.352799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.352799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.352799 (E_RNA) where: Base-Base interactions energy: -841.198 where: short stacking energy: -426.178 Base-Backbone interact. energy: -1.704 local terms energy: -632.450922 where: bonds (distance) C4'-P energy: -154.884 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -151.748 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -80.403 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: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1020.732026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.732026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.732026 (E_RNA) where: Base-Base interactions energy: -545.150 where: short stacking energy: -279.126 Base-Backbone interact. energy: 4.470 local terms energy: -480.051343 where: bonds (distance) C4'-P energy: -128.989 bonds (distance) P-C4' energy: -142.578 flat angles C4'-P-C4' energy: -138.011 flat angles P-C4'-P energy: -65.845 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: 10, replica: 2 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -684.773379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.773379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.773379 (E_RNA) where: Base-Base interactions energy: -225.192 where: short stacking energy: -185.311 Base-Backbone interact. energy: -2.196 local terms energy: -457.386248 where: bonds (distance) C4'-P energy: -143.331 bonds (distance) P-C4' energy: -152.238 flat angles C4'-P-C4' energy: -116.376 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: 21.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2628.696243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.696243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.696243 (E_RNA) where: Base-Base interactions energy: -1707.632 where: short stacking energy: -806.718 Base-Backbone interact. energy: -3.829 local terms energy: -917.235240 where: bonds (distance) C4'-P energy: -183.591 bonds (distance) P-C4' energy: -185.541 flat angles C4'-P-C4' energy: -199.920 flat angles P-C4'-P energy: -130.584 tors. eta vs tors. theta energy: -217.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2424.066827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.066827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.066827 (E_RNA) where: Base-Base interactions energy: -1568.570 where: short stacking energy: -729.537 Base-Backbone interact. energy: 1.449 local terms energy: -856.945485 where: bonds (distance) C4'-P energy: -172.917 bonds (distance) P-C4' energy: -178.800 flat angles C4'-P-C4' energy: -198.073 flat angles P-C4'-P energy: -114.163 tors. eta vs tors. theta energy: -192.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2181.258903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.258903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.258903 (E_RNA) where: Base-Base interactions energy: -1320.377 where: short stacking energy: -695.651 Base-Backbone interact. energy: 2.881 local terms energy: -863.763002 where: bonds (distance) C4'-P energy: -198.508 bonds (distance) P-C4' energy: -184.575 flat angles C4'-P-C4' energy: -187.888 flat angles P-C4'-P energy: -102.341 tors. eta vs tors. theta energy: -190.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1981.056125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.056125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.056125 (E_RNA) where: Base-Base interactions energy: -1219.946 where: short stacking energy: -608.164 Base-Backbone interact. energy: -3.751 local terms energy: -757.359309 where: bonds (distance) C4'-P energy: -172.420 bonds (distance) P-C4' energy: -156.616 flat angles C4'-P-C4' energy: -174.457 flat angles P-C4'-P energy: -117.162 tors. eta vs tors. theta energy: -136.704 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: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1657.081586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.081586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.081586 (E_RNA) where: Base-Base interactions energy: -963.092 where: short stacking energy: -508.306 Base-Backbone interact. energy: 0.482 local terms energy: -694.471770 where: bonds (distance) C4'-P energy: -154.165 bonds (distance) P-C4' energy: -180.304 flat angles C4'-P-C4' energy: -148.738 flat angles P-C4'-P energy: -97.796 tors. eta vs tors. theta energy: -113.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1635.349860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.349860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.349860 (E_RNA) where: Base-Base interactions energy: -931.553 where: short stacking energy: -476.732 Base-Backbone interact. energy: -1.837 local terms energy: -701.959950 where: bonds (distance) C4'-P energy: -144.342 bonds (distance) P-C4' energy: -171.749 flat angles C4'-P-C4' energy: -174.645 flat angles P-C4'-P energy: -111.841 tors. eta vs tors. theta energy: -99.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1481.605032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.605032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.605032 (E_RNA) where: Base-Base interactions energy: -823.405 where: short stacking energy: -453.424 Base-Backbone interact. energy: -0.498 local terms energy: -657.701915 where: bonds (distance) C4'-P energy: -151.144 bonds (distance) P-C4' energy: -160.433 flat angles C4'-P-C4' energy: -159.376 flat angles P-C4'-P energy: -96.958 tors. eta vs tors. theta energy: -89.791 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: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1467.478349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.478349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.478349 (E_RNA) where: Base-Base interactions energy: -850.851 where: short stacking energy: -404.951 Base-Backbone interact. energy: -3.581 local terms energy: -613.046276 where: bonds (distance) C4'-P energy: -143.190 bonds (distance) P-C4' energy: -156.727 flat angles C4'-P-C4' energy: -144.062 flat angles P-C4'-P energy: -94.995 tors. eta vs tors. theta energy: -74.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -998.574375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.574375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.574375 (E_RNA) where: Base-Base interactions energy: -505.267 where: short stacking energy: -296.380 Base-Backbone interact. energy: 5.689 local terms energy: -498.996339 where: bonds (distance) C4'-P energy: -121.004 bonds (distance) P-C4' energy: -151.131 flat angles C4'-P-C4' energy: -152.002 flat angles P-C4'-P energy: -75.061 tors. eta vs tors. theta energy: 0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -677.944704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.944704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.944704 (E_RNA) where: Base-Base interactions energy: -205.472 where: short stacking energy: -184.531 Base-Backbone interact. energy: 2.463 local terms energy: -474.934938 where: bonds (distance) C4'-P energy: -153.353 bonds (distance) P-C4' energy: -153.493 flat angles C4'-P-C4' energy: -124.924 flat angles P-C4'-P energy: -83.715 tors. eta vs tors. theta energy: 40.551 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: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2651.965898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.965898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.965898 (E_RNA) where: Base-Base interactions energy: -1773.096 where: short stacking energy: -812.241 Base-Backbone interact. energy: -3.018 local terms energy: -875.852526 where: bonds (distance) C4'-P energy: -177.662 bonds (distance) P-C4' energy: -160.229 flat angles C4'-P-C4' energy: -195.317 flat angles P-C4'-P energy: -129.044 tors. eta vs tors. theta energy: -213.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2450.286164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.286164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.286164 (E_RNA) where: Base-Base interactions energy: -1597.748 where: short stacking energy: -741.212 Base-Backbone interact. energy: 2.921 local terms energy: -855.459234 where: bonds (distance) C4'-P energy: -188.134 bonds (distance) P-C4' energy: -154.652 flat angles C4'-P-C4' energy: -179.313 flat angles P-C4'-P energy: -140.919 tors. eta vs tors. theta energy: -192.441 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: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2195.105021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.105021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.105021 (E_RNA) where: Base-Base interactions energy: -1336.569 where: short stacking energy: -708.473 Base-Backbone interact. energy: -4.295 local terms energy: -854.240943 where: bonds (distance) C4'-P energy: -173.678 bonds (distance) P-C4' energy: -186.010 flat angles C4'-P-C4' energy: -176.301 flat angles P-C4'-P energy: -129.080 tors. eta vs tors. theta energy: -189.173 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: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2004.899481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.899481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.899481 (E_RNA) where: Base-Base interactions energy: -1214.228 where: short stacking energy: -610.910 Base-Backbone interact. energy: -2.531 local terms energy: -788.139982 where: bonds (distance) C4'-P energy: -165.250 bonds (distance) P-C4' energy: -169.049 flat angles C4'-P-C4' energy: -188.115 flat angles P-C4'-P energy: -117.820 tors. eta vs tors. theta energy: -147.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1750.461207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.461207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.461207 (E_RNA) where: Base-Base interactions energy: -1038.056 where: short stacking energy: -538.480 Base-Backbone interact. energy: -1.123 local terms energy: -711.282189 where: bonds (distance) C4'-P energy: -166.709 bonds (distance) P-C4' energy: -178.955 flat angles C4'-P-C4' energy: -161.504 flat angles P-C4'-P energy: -95.539 tors. eta vs tors. theta energy: -108.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1590.276331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.276331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.276331 (E_RNA) where: Base-Base interactions energy: -908.789 where: short stacking energy: -476.019 Base-Backbone interact. energy: -1.921 local terms energy: -679.566508 where: bonds (distance) C4'-P energy: -150.781 bonds (distance) P-C4' energy: -177.806 flat angles C4'-P-C4' energy: -158.977 flat angles P-C4'-P energy: -108.028 tors. eta vs tors. theta energy: -83.975 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: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1540.484269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.484269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.484269 (E_RNA) where: Base-Base interactions energy: -940.395 where: short stacking energy: -451.280 Base-Backbone interact. energy: -1.357 local terms energy: -598.732252 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -170.860 flat angles C4'-P-C4' energy: -166.092 flat angles P-C4'-P energy: -69.984 tors. eta vs tors. theta energy: -56.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1312.864094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.864094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.864094 (E_RNA) where: Base-Base interactions energy: -715.658 where: short stacking energy: -416.226 Base-Backbone interact. energy: 4.253 local terms energy: -601.459345 where: bonds (distance) C4'-P energy: -146.469 bonds (distance) P-C4' energy: -175.614 flat angles C4'-P-C4' energy: -136.224 flat angles P-C4'-P energy: -87.686 tors. eta vs tors. theta energy: -55.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1080.599224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.599224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.599224 (E_RNA) where: Base-Base interactions energy: -536.225 where: short stacking energy: -318.972 Base-Backbone interact. energy: 4.660 local terms energy: -549.034050 where: bonds (distance) C4'-P energy: -148.014 bonds (distance) P-C4' energy: -166.831 flat angles C4'-P-C4' energy: -130.883 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -12.470 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: 10, replica: 2 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -688.298363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.298363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.298363 (E_RNA) where: Base-Base interactions energy: -234.535 where: short stacking energy: -172.076 Base-Backbone interact. energy: -1.645 local terms energy: -452.117946 where: bonds (distance) C4'-P energy: -148.734 bonds (distance) P-C4' energy: -143.390 flat angles C4'-P-C4' energy: -146.836 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: 38.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2686.826735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.826735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.826735 (E_RNA) where: Base-Base interactions energy: -1793.678 where: short stacking energy: -830.708 Base-Backbone interact. energy: -1.215 local terms energy: -891.934106 where: bonds (distance) C4'-P energy: -186.086 bonds (distance) P-C4' energy: -184.676 flat angles C4'-P-C4' energy: -185.091 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -224.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2448.040550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.040550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.040550 (E_RNA) where: Base-Base interactions energy: -1591.587 where: short stacking energy: -764.190 Base-Backbone interact. energy: -2.954 local terms energy: -853.500088 where: bonds (distance) C4'-P energy: -167.196 bonds (distance) P-C4' energy: -178.363 flat angles C4'-P-C4' energy: -201.974 flat angles P-C4'-P energy: -119.594 tors. eta vs tors. theta energy: -186.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2219.890927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.890927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.890927 (E_RNA) where: Base-Base interactions energy: -1373.682 where: short stacking energy: -706.004 Base-Backbone interact. energy: 1.973 local terms energy: -848.181453 where: bonds (distance) C4'-P energy: -185.746 bonds (distance) P-C4' energy: -169.547 flat angles C4'-P-C4' energy: -184.417 flat angles P-C4'-P energy: -121.795 tors. eta vs tors. theta energy: -186.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1993.709634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.709634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.709634 (E_RNA) where: Base-Base interactions energy: -1216.733 where: short stacking energy: -659.716 Base-Backbone interact. energy: -4.332 local terms energy: -772.644400 where: bonds (distance) C4'-P energy: -155.510 bonds (distance) P-C4' energy: -159.482 flat angles C4'-P-C4' energy: -175.747 flat angles P-C4'-P energy: -123.594 tors. eta vs tors. theta energy: -158.311 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: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1860.865425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.865425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.865425 (E_RNA) where: Base-Base interactions energy: -1096.256 where: short stacking energy: -572.742 Base-Backbone interact. energy: 1.839 local terms energy: -766.448360 where: bonds (distance) C4'-P energy: -159.586 bonds (distance) P-C4' energy: -179.124 flat angles C4'-P-C4' energy: -168.855 flat angles P-C4'-P energy: -110.081 tors. eta vs tors. theta energy: -148.801 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: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1658.248140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.248140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.248140 (E_RNA) where: Base-Base interactions energy: -962.378 where: short stacking energy: -487.296 Base-Backbone interact. energy: 5.380 local terms energy: -701.250637 where: bonds (distance) C4'-P energy: -168.337 bonds (distance) P-C4' energy: -181.360 flat angles C4'-P-C4' energy: -168.554 flat angles P-C4'-P energy: -92.466 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: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1604.196616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.196616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.196616 (E_RNA) where: Base-Base interactions energy: -921.709 where: short stacking energy: -489.798 Base-Backbone interact. energy: -3.366 local terms energy: -679.121422 where: bonds (distance) C4'-P energy: -164.940 bonds (distance) P-C4' energy: -149.091 flat angles C4'-P-C4' energy: -163.447 flat angles P-C4'-P energy: -104.058 tors. eta vs tors. theta energy: -97.586 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: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1280.032040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.032040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.032040 (E_RNA) where: Base-Base interactions energy: -688.709 where: short stacking energy: -379.387 Base-Backbone interact. energy: 3.232 local terms energy: -594.555156 where: bonds (distance) C4'-P energy: -160.060 bonds (distance) P-C4' energy: -157.529 flat angles C4'-P-C4' energy: -138.357 flat angles P-C4'-P energy: -100.279 tors. eta vs tors. theta energy: -38.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -954.646759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.646759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.646759 (E_RNA) where: Base-Base interactions energy: -437.899 where: short stacking energy: -256.205 Base-Backbone interact. energy: -2.476 local terms energy: -514.271259 where: bonds (distance) C4'-P energy: -159.042 bonds (distance) P-C4' energy: -157.116 flat angles C4'-P-C4' energy: -131.084 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: -9.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -686.563846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.563846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.563846 (E_RNA) where: Base-Base interactions energy: -257.462 where: short stacking energy: -170.237 Base-Backbone interact. energy: 11.140 local terms energy: -440.242132 where: bonds (distance) C4'-P energy: -159.151 bonds (distance) P-C4' energy: -148.379 flat angles C4'-P-C4' energy: -113.882 flat angles P-C4'-P energy: -73.296 tors. eta vs tors. theta energy: 54.465 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: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2711.521795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.521795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.521795 (E_RNA) where: Base-Base interactions energy: -1792.752 where: short stacking energy: -822.007 Base-Backbone interact. energy: -5.410 local terms energy: -913.359913 where: bonds (distance) C4'-P energy: -170.376 bonds (distance) P-C4' energy: -183.140 flat angles C4'-P-C4' energy: -201.936 flat angles P-C4'-P energy: -131.878 tors. eta vs tors. theta energy: -226.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2526.064036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.064036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.064036 (E_RNA) where: Base-Base interactions energy: -1611.742 where: short stacking energy: -739.812 Base-Backbone interact. energy: -5.571 local terms energy: -908.750778 where: bonds (distance) C4'-P energy: -171.177 bonds (distance) P-C4' energy: -191.403 flat angles C4'-P-C4' energy: -207.000 flat angles P-C4'-P energy: -129.069 tors. eta vs tors. theta energy: -210.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2208.515135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.515135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.515135 (E_RNA) where: Base-Base interactions energy: -1361.131 where: short stacking energy: -702.054 Base-Backbone interact. energy: -1.727 local terms energy: -845.657400 where: bonds (distance) C4'-P energy: -167.041 bonds (distance) P-C4' energy: -165.778 flat angles C4'-P-C4' energy: -208.542 flat angles P-C4'-P energy: -114.891 tors. eta vs tors. theta energy: -189.405 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: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1987.354144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.354144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.354144 (E_RNA) where: Base-Base interactions energy: -1204.297 where: short stacking energy: -628.766 Base-Backbone interact. energy: 2.506 local terms energy: -785.562425 where: bonds (distance) C4'-P energy: -167.136 bonds (distance) P-C4' energy: -157.778 flat angles C4'-P-C4' energy: -176.277 flat angles P-C4'-P energy: -132.988 tors. eta vs tors. theta energy: -151.383 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: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1883.347983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.347983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.347983 (E_RNA) where: Base-Base interactions energy: -1172.359 where: short stacking energy: -561.469 Base-Backbone interact. energy: 2.797 local terms energy: -713.786077 where: bonds (distance) C4'-P energy: -169.273 bonds (distance) P-C4' energy: -168.675 flat angles C4'-P-C4' energy: -171.211 flat angles P-C4'-P energy: -102.340 tors. eta vs tors. theta energy: -102.287 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: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1726.948194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.948194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.948194 (E_RNA) where: Base-Base interactions energy: -1044.060 where: short stacking energy: -538.193 Base-Backbone interact. energy: 4.452 local terms energy: -687.340720 where: bonds (distance) C4'-P energy: -169.652 bonds (distance) P-C4' energy: -161.503 flat angles C4'-P-C4' energy: -132.268 flat angles P-C4'-P energy: -105.233 tors. eta vs tors. theta energy: -118.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1561.885458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.885458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.885458 (E_RNA) where: Base-Base interactions energy: -908.328 where: short stacking energy: -460.127 Base-Backbone interact. energy: 4.136 local terms energy: -657.694253 where: bonds (distance) C4'-P energy: -145.662 bonds (distance) P-C4' energy: -160.916 flat angles C4'-P-C4' energy: -157.062 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -94.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1219.642783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.642783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.642783 (E_RNA) where: Base-Base interactions energy: -645.496 where: short stacking energy: -372.136 Base-Backbone interact. energy: 5.334 local terms energy: -579.480478 where: bonds (distance) C4'-P energy: -144.268 bonds (distance) P-C4' energy: -171.248 flat angles C4'-P-C4' energy: -144.222 flat angles P-C4'-P energy: -83.241 tors. eta vs tors. theta energy: -36.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -967.478839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.478839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.478839 (E_RNA) where: Base-Base interactions energy: -450.466 where: short stacking energy: -304.776 Base-Backbone interact. energy: 1.287 local terms energy: -518.300392 where: bonds (distance) C4'-P energy: -132.000 bonds (distance) P-C4' energy: -143.577 flat angles C4'-P-C4' energy: -136.275 flat angles P-C4'-P energy: -100.524 tors. eta vs tors. theta energy: -5.924 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: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -679.960031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.960031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.960031 (E_RNA) where: Base-Base interactions energy: -248.099 where: short stacking energy: -192.084 Base-Backbone interact. energy: 3.115 local terms energy: -434.976548 where: bonds (distance) C4'-P energy: -149.806 bonds (distance) P-C4' energy: -143.654 flat angles C4'-P-C4' energy: -113.272 flat angles P-C4'-P energy: -73.169 tors. eta vs tors. theta energy: 44.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2739.325425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.325425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.325425 (E_RNA) where: Base-Base interactions energy: -1820.570 where: short stacking energy: -846.428 Base-Backbone interact. energy: -0.289 local terms energy: -918.466351 where: bonds (distance) C4'-P energy: -160.871 bonds (distance) P-C4' energy: -188.460 flat angles C4'-P-C4' energy: -198.655 flat angles P-C4'-P energy: -134.729 tors. eta vs tors. theta energy: -235.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2479.604771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.604771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.604771 (E_RNA) where: Base-Base interactions energy: -1608.297 where: short stacking energy: -758.345 Base-Backbone interact. energy: -1.310 local terms energy: -869.996989 where: bonds (distance) C4'-P energy: -167.534 bonds (distance) P-C4' energy: -184.296 flat angles C4'-P-C4' energy: -193.932 flat angles P-C4'-P energy: -135.097 tors. eta vs tors. theta energy: -189.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2230.902059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.902059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.902059 (E_RNA) where: Base-Base interactions energy: -1379.990 where: short stacking energy: -735.655 Base-Backbone interact. energy: -2.335 local terms energy: -848.577135 where: bonds (distance) C4'-P energy: -172.150 bonds (distance) P-C4' energy: -204.743 flat angles C4'-P-C4' energy: -167.365 flat angles P-C4'-P energy: -111.903 tors. eta vs tors. theta energy: -192.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2071.265710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.265710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.265710 (E_RNA) where: Base-Base interactions energy: -1292.143 where: short stacking energy: -607.934 Base-Backbone interact. energy: -4.556 local terms energy: -774.566595 where: bonds (distance) C4'-P energy: -174.310 bonds (distance) P-C4' energy: -168.204 flat angles C4'-P-C4' energy: -184.297 flat angles P-C4'-P energy: -118.335 tors. eta vs tors. theta energy: -129.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1930.840520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.840520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.840520 (E_RNA) where: Base-Base interactions energy: -1177.875 where: short stacking energy: -583.816 Base-Backbone interact. energy: -2.662 local terms energy: -750.303369 where: bonds (distance) C4'-P energy: -165.651 bonds (distance) P-C4' energy: -165.388 flat angles C4'-P-C4' energy: -174.520 flat angles P-C4'-P energy: -94.875 tors. eta vs tors. theta energy: -149.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1724.627654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.627654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.627654 (E_RNA) where: Base-Base interactions energy: -1041.219 where: short stacking energy: -531.985 Base-Backbone interact. energy: -2.384 local terms energy: -681.025190 where: bonds (distance) C4'-P energy: -162.436 bonds (distance) P-C4' energy: -168.470 flat angles C4'-P-C4' energy: -155.912 flat angles P-C4'-P energy: -79.753 tors. eta vs tors. theta energy: -114.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1584.084769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.084769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.084769 (E_RNA) where: Base-Base interactions energy: -910.065 where: short stacking energy: -421.926 Base-Backbone interact. energy: -0.441 local terms energy: -673.579261 where: bonds (distance) C4'-P energy: -178.233 bonds (distance) P-C4' energy: -161.480 flat angles C4'-P-C4' energy: -159.547 flat angles P-C4'-P energy: -116.388 tors. eta vs tors. theta energy: -57.931 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: 43 Temperature: 1.250000 Total energy: -1246.037216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.037216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.037216 (E_RNA) where: Base-Base interactions energy: -665.606 where: short stacking energy: -372.067 Base-Backbone interact. energy: -1.098 local terms energy: -579.333105 where: bonds (distance) C4'-P energy: -118.025 bonds (distance) P-C4' energy: -163.025 flat angles C4'-P-C4' energy: -143.941 flat angles P-C4'-P energy: -95.088 tors. eta vs tors. theta energy: -59.253 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: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1013.694670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.694670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.694670 (E_RNA) where: Base-Base interactions energy: -518.382 where: short stacking energy: -310.702 Base-Backbone interact. energy: -2.340 local terms energy: -492.971978 where: bonds (distance) C4'-P energy: -162.518 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -129.500 flat angles P-C4'-P energy: -40.015 tors. eta vs tors. theta energy: -4.008 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: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -711.197320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.197320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.197320 (E_RNA) where: Base-Base interactions energy: -293.703 where: short stacking energy: -205.886 Base-Backbone interact. energy: 10.216 local terms energy: -427.710175 where: bonds (distance) C4'-P energy: -145.566 bonds (distance) P-C4' energy: -122.362 flat angles C4'-P-C4' energy: -115.940 flat angles P-C4'-P energy: -72.468 tors. eta vs tors. theta energy: 28.627 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: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2767.243934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.243934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.243934 (E_RNA) where: Base-Base interactions energy: -1827.357 where: short stacking energy: -860.560 Base-Backbone interact. energy: -1.928 local terms energy: -937.959130 where: bonds (distance) C4'-P energy: -191.521 bonds (distance) P-C4' energy: -180.466 flat angles C4'-P-C4' energy: -204.856 flat angles P-C4'-P energy: -113.555 tors. eta vs tors. theta energy: -247.561 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: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2513.430364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.430364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.430364 (E_RNA) where: Base-Base interactions energy: -1635.400 where: short stacking energy: -781.525 Base-Backbone interact. energy: -6.775 local terms energy: -871.255584 where: bonds (distance) C4'-P energy: -168.285 bonds (distance) P-C4' energy: -191.782 flat angles C4'-P-C4' energy: -190.015 flat angles P-C4'-P energy: -120.797 tors. eta vs tors. theta energy: -200.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2212.476792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.476792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.476792 (E_RNA) where: Base-Base interactions energy: -1390.072 where: short stacking energy: -729.346 Base-Backbone interact. energy: -1.986 local terms energy: -820.418742 where: bonds (distance) C4'-P energy: -155.165 bonds (distance) P-C4' energy: -168.487 flat angles C4'-P-C4' energy: -193.655 flat angles P-C4'-P energy: -110.968 tors. eta vs tors. theta energy: -192.144 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: 9 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2061.884315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.884315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.884315 (E_RNA) where: Base-Base interactions energy: -1301.146 where: short stacking energy: -619.792 Base-Backbone interact. energy: -1.770 local terms energy: -758.968085 where: bonds (distance) C4'-P energy: -157.540 bonds (distance) P-C4' energy: -164.246 flat angles C4'-P-C4' energy: -182.791 flat angles P-C4'-P energy: -116.211 tors. eta vs tors. theta energy: -138.180 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: 44 Temperature: 1.100000 Total energy: -1892.863935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.863935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.863935 (E_RNA) where: Base-Base interactions energy: -1145.394 where: short stacking energy: -585.122 Base-Backbone interact. energy: -2.556 local terms energy: -744.914196 where: bonds (distance) C4'-P energy: -168.287 bonds (distance) P-C4' energy: -161.738 flat angles C4'-P-C4' energy: -173.110 flat angles P-C4'-P energy: -117.365 tors. eta vs tors. theta energy: -124.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1698.458440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.458440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.458440 (E_RNA) where: Base-Base interactions energy: -1021.449 where: short stacking energy: -533.093 Base-Backbone interact. energy: -1.855 local terms energy: -675.154593 where: bonds (distance) C4'-P energy: -146.519 bonds (distance) P-C4' energy: -164.047 flat angles C4'-P-C4' energy: -167.682 flat angles P-C4'-P energy: -97.920 tors. eta vs tors. theta energy: -98.987 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: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1646.608720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.608720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.608720 (E_RNA) where: Base-Base interactions energy: -998.187 where: short stacking energy: -506.310 Base-Backbone interact. energy: 3.199 local terms energy: -651.620706 where: bonds (distance) C4'-P energy: -136.559 bonds (distance) P-C4' energy: -164.230 flat angles C4'-P-C4' energy: -164.995 flat angles P-C4'-P energy: -95.708 tors. eta vs tors. theta energy: -90.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1198.847662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.847662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.847662 (E_RNA) where: Base-Base interactions energy: -637.217 where: short stacking energy: -397.425 Base-Backbone interact. energy: 0.919 local terms energy: -562.549300 where: bonds (distance) C4'-P energy: -128.523 bonds (distance) P-C4' energy: -144.907 flat angles C4'-P-C4' energy: -163.548 flat angles P-C4'-P energy: -81.821 tors. eta vs tors. theta energy: -43.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1053.336535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.336535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.336535 (E_RNA) where: Base-Base interactions energy: -528.113 where: short stacking energy: -330.199 Base-Backbone interact. energy: 0.628 local terms energy: -525.851042 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -167.829 flat angles C4'-P-C4' energy: -140.031 flat angles P-C4'-P energy: -58.261 tors. eta vs tors. theta energy: -19.030 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: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -736.504052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.504052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.504052 (E_RNA) where: Base-Base interactions energy: -291.441 where: short stacking energy: -227.327 Base-Backbone interact. energy: 3.986 local terms energy: -449.049151 where: bonds (distance) C4'-P energy: -136.273 bonds (distance) P-C4' energy: -131.931 flat angles C4'-P-C4' energy: -118.391 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: 22.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2804.824698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.824698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.824698 (E_RNA) where: Base-Base interactions energy: -1848.517 where: short stacking energy: -887.153 Base-Backbone interact. energy: -4.196 local terms energy: -952.111468 where: bonds (distance) C4'-P energy: -169.051 bonds (distance) P-C4' energy: -183.887 flat angles C4'-P-C4' energy: -207.295 flat angles P-C4'-P energy: -139.571 tors. eta vs tors. theta energy: -252.307 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: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2504.002086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.002086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.002086 (E_RNA) where: Base-Base interactions energy: -1630.917 where: short stacking energy: -745.804 Base-Backbone interact. energy: -3.717 local terms energy: -869.368599 where: bonds (distance) C4'-P energy: -175.902 bonds (distance) P-C4' energy: -164.304 flat angles C4'-P-C4' energy: -202.378 flat angles P-C4'-P energy: -109.912 tors. eta vs tors. theta energy: -216.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2222.517465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.517465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.517465 (E_RNA) where: Base-Base interactions energy: -1364.099 where: short stacking energy: -711.350 Base-Backbone interact. energy: -5.922 local terms energy: -852.496123 where: bonds (distance) C4'-P energy: -188.596 bonds (distance) P-C4' energy: -161.108 flat angles C4'-P-C4' energy: -195.162 flat angles P-C4'-P energy: -118.298 tors. eta vs tors. theta energy: -189.332 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: 4, replica: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2118.792897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.792897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.792897 (E_RNA) where: Base-Base interactions energy: -1352.864 where: short stacking energy: -646.051 Base-Backbone interact. energy: -2.507 local terms energy: -763.422406 where: bonds (distance) C4'-P energy: -144.488 bonds (distance) P-C4' energy: -186.698 flat angles C4'-P-C4' energy: -180.880 flat angles P-C4'-P energy: -114.023 tors. eta vs tors. theta energy: -137.335 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: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1887.676564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.676564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.676564 (E_RNA) where: Base-Base interactions energy: -1137.138 where: short stacking energy: -591.360 Base-Backbone interact. energy: -5.674 local terms energy: -744.864923 where: bonds (distance) C4'-P energy: -143.377 bonds (distance) P-C4' energy: -188.967 flat angles C4'-P-C4' energy: -179.177 flat angles P-C4'-P energy: -97.951 tors. eta vs tors. theta energy: -135.393 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: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1633.074759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.074759 (E_RNA) where: Base-Base interactions energy: -981.055 where: short stacking energy: -488.835 Base-Backbone interact. energy: -2.155 local terms energy: -649.864721 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -152.756 flat angles C4'-P-C4' energy: -153.818 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -81.617 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: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1615.779437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.779437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.779437 (E_RNA) where: Base-Base interactions energy: -948.792 where: short stacking energy: -476.386 Base-Backbone interact. energy: 2.276 local terms energy: -669.263534 where: bonds (distance) C4'-P energy: -131.534 bonds (distance) P-C4' energy: -161.445 flat angles C4'-P-C4' energy: -175.162 flat angles P-C4'-P energy: -114.029 tors. eta vs tors. theta energy: -87.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1192.961148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.961148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.961148 (E_RNA) where: Base-Base interactions energy: -622.368 where: short stacking energy: -339.551 Base-Backbone interact. energy: -1.273 local terms energy: -569.320803 where: bonds (distance) C4'-P energy: -144.994 bonds (distance) P-C4' energy: -167.423 flat angles C4'-P-C4' energy: -144.059 flat angles P-C4'-P energy: -75.778 tors. eta vs tors. theta energy: -37.068 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: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1110.413265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.413265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.413265 (E_RNA) where: Base-Base interactions energy: -569.652 where: short stacking energy: -303.232 Base-Backbone interact. energy: 3.076 local terms energy: -543.837742 where: bonds (distance) C4'-P energy: -158.481 bonds (distance) P-C4' energy: -156.634 flat angles C4'-P-C4' energy: -145.513 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -683.788828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.788828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.788828 (E_RNA) where: Base-Base interactions energy: -233.029 where: short stacking energy: -183.957 Base-Backbone interact. energy: 1.590 local terms energy: -452.350221 where: bonds (distance) C4'-P energy: -123.256 bonds (distance) P-C4' energy: -154.371 flat angles C4'-P-C4' energy: -116.490 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: 22.235 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: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2754.901836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.901836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.901836 (E_RNA) where: Base-Base interactions energy: -1792.935 where: short stacking energy: -860.115 Base-Backbone interact. energy: -1.945 local terms energy: -960.021077 where: bonds (distance) C4'-P energy: -172.240 bonds (distance) P-C4' energy: -188.889 flat angles C4'-P-C4' energy: -216.566 flat angles P-C4'-P energy: -137.609 tors. eta vs tors. theta energy: -244.716 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: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2468.938070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.938070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.938070 (E_RNA) where: Base-Base interactions energy: -1623.347 where: short stacking energy: -727.143 Base-Backbone interact. energy: -5.956 local terms energy: -839.634667 where: bonds (distance) C4'-P energy: -167.342 bonds (distance) P-C4' energy: -166.879 flat angles C4'-P-C4' energy: -190.050 flat angles P-C4'-P energy: -119.791 tors. eta vs tors. theta energy: -195.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2189.992325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.992325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.992325 (E_RNA) where: Base-Base interactions energy: -1387.725 where: short stacking energy: -720.689 Base-Backbone interact. energy: 0.818 local terms energy: -803.085180 where: bonds (distance) C4'-P energy: -175.344 bonds (distance) P-C4' energy: -159.434 flat angles C4'-P-C4' energy: -175.020 flat angles P-C4'-P energy: -110.018 tors. eta vs tors. theta energy: -183.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2110.307793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.307793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.307793 (E_RNA) where: Base-Base interactions energy: -1357.801 where: short stacking energy: -653.533 Base-Backbone interact. energy: 0.297 local terms energy: -752.804446 where: bonds (distance) C4'-P energy: -144.191 bonds (distance) P-C4' energy: -172.048 flat angles C4'-P-C4' energy: -175.284 flat angles P-C4'-P energy: -110.426 tors. eta vs tors. theta energy: -150.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1826.419025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.419025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.419025 (E_RNA) where: Base-Base interactions energy: -1083.203 where: short stacking energy: -566.155 Base-Backbone interact. energy: -1.698 local terms energy: -741.518197 where: bonds (distance) C4'-P energy: -159.653 bonds (distance) P-C4' energy: -159.064 flat angles C4'-P-C4' energy: -177.850 flat angles P-C4'-P energy: -125.475 tors. eta vs tors. theta energy: -119.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1726.389325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.389325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.389325 (E_RNA) where: Base-Base interactions energy: -1065.634 where: short stacking energy: -534.621 Base-Backbone interact. energy: -2.471 local terms energy: -658.285132 where: bonds (distance) C4'-P energy: -136.887 bonds (distance) P-C4' energy: -139.219 flat angles C4'-P-C4' energy: -173.570 flat angles P-C4'-P energy: -92.353 tors. eta vs tors. theta energy: -116.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1636.199146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.199146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.199146 (E_RNA) where: Base-Base interactions energy: -929.448 where: short stacking energy: -501.989 Base-Backbone interact. energy: -2.743 local terms energy: -704.008177 where: bonds (distance) C4'-P energy: -170.288 bonds (distance) P-C4' energy: -184.407 flat angles C4'-P-C4' energy: -154.452 flat angles P-C4'-P energy: -98.311 tors. eta vs tors. theta energy: -96.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1296.061046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.061046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.061046 (E_RNA) where: Base-Base interactions energy: -672.471 where: short stacking energy: -364.917 Base-Backbone interact. energy: -0.481 local terms energy: -623.109381 where: bonds (distance) C4'-P energy: -154.696 bonds (distance) P-C4' energy: -148.584 flat angles C4'-P-C4' energy: -158.833 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -55.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1202.779144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.779144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.779144 (E_RNA) where: Base-Base interactions energy: -632.520 where: short stacking energy: -328.257 Base-Backbone interact. energy: 1.630 local terms energy: -571.888947 where: bonds (distance) C4'-P energy: -142.860 bonds (distance) P-C4' energy: -156.567 flat angles C4'-P-C4' energy: -168.702 flat angles P-C4'-P energy: -86.498 tors. eta vs tors. theta energy: -17.263 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: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -738.276618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.276618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.276618 (E_RNA) where: Base-Base interactions energy: -290.143 where: short stacking energy: -224.743 Base-Backbone interact. energy: 4.725 local terms energy: -452.858954 where: bonds (distance) C4'-P energy: -142.487 bonds (distance) P-C4' energy: -157.937 flat angles C4'-P-C4' energy: -102.226 flat angles P-C4'-P energy: -80.640 tors. eta vs tors. theta energy: 30.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2745.490063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.490063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.490063 (E_RNA) where: Base-Base interactions energy: -1786.149 where: short stacking energy: -860.899 Base-Backbone interact. energy: 1.675 local terms energy: -961.015971 where: bonds (distance) C4'-P energy: -172.440 bonds (distance) P-C4' energy: -198.707 flat angles C4'-P-C4' energy: -205.628 flat angles P-C4'-P energy: -133.699 tors. eta vs tors. theta energy: -250.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2560.834246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.834246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.834246 (E_RNA) where: Base-Base interactions energy: -1664.367 where: short stacking energy: -777.422 Base-Backbone interact. energy: -3.322 local terms energy: -893.144390 where: bonds (distance) C4'-P energy: -170.212 bonds (distance) P-C4' energy: -180.608 flat angles C4'-P-C4' energy: -198.856 flat angles P-C4'-P energy: -137.878 tors. eta vs tors. theta energy: -205.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2297.444704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.444704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.444704 (E_RNA) where: Base-Base interactions energy: -1418.374 where: short stacking energy: -736.070 Base-Backbone interact. energy: -2.790 local terms energy: -876.280929 where: bonds (distance) C4'-P energy: -170.402 bonds (distance) P-C4' energy: -179.331 flat angles C4'-P-C4' energy: -204.410 flat angles P-C4'-P energy: -122.955 tors. eta vs tors. theta energy: -199.183 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: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2087.390873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.390873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.390873 (E_RNA) where: Base-Base interactions energy: -1338.694 where: short stacking energy: -630.489 Base-Backbone interact. energy: -2.819 local terms energy: -745.877583 where: bonds (distance) C4'-P energy: -149.377 bonds (distance) P-C4' energy: -166.664 flat angles C4'-P-C4' energy: -181.827 flat angles P-C4'-P energy: -101.520 tors. eta vs tors. theta energy: -146.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1830.130153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.130153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.130153 (E_RNA) where: Base-Base interactions energy: -1105.753 where: short stacking energy: -592.038 Base-Backbone interact. energy: -1.450 local terms energy: -722.927208 where: bonds (distance) C4'-P energy: -165.454 bonds (distance) P-C4' energy: -165.196 flat angles C4'-P-C4' energy: -171.200 flat angles P-C4'-P energy: -99.070 tors. eta vs tors. theta energy: -122.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1731.114782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.114782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.114782 (E_RNA) where: Base-Base interactions energy: -1011.479 where: short stacking energy: -506.013 Base-Backbone interact. energy: 3.285 local terms energy: -722.921240 where: bonds (distance) C4'-P energy: -158.705 bonds (distance) P-C4' energy: -175.557 flat angles C4'-P-C4' energy: -179.280 flat angles P-C4'-P energy: -106.866 tors. eta vs tors. theta energy: -102.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1667.809951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.809951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.809951 (E_RNA) where: Base-Base interactions energy: -1044.401 where: short stacking energy: -549.420 Base-Backbone interact. energy: -6.228 local terms energy: -617.180923 where: bonds (distance) C4'-P energy: -144.260 bonds (distance) P-C4' energy: -150.922 flat angles C4'-P-C4' energy: -147.614 flat angles P-C4'-P energy: -83.340 tors. eta vs tors. theta energy: -91.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1289.151045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.151045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.151045 (E_RNA) where: Base-Base interactions energy: -707.555 where: short stacking energy: -395.466 Base-Backbone interact. energy: 4.695 local terms energy: -586.291779 where: bonds (distance) C4'-P energy: -143.184 bonds (distance) P-C4' energy: -173.851 flat angles C4'-P-C4' energy: -136.061 flat angles P-C4'-P energy: -70.724 tors. eta vs tors. theta energy: -62.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1003.016380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.016380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.016380 (E_RNA) where: Base-Base interactions energy: -486.115 where: short stacking energy: -293.866 Base-Backbone interact. energy: 9.214 local terms energy: -526.114933 where: bonds (distance) C4'-P energy: -147.355 bonds (distance) P-C4' energy: -158.674 flat angles C4'-P-C4' energy: -112.454 flat angles P-C4'-P energy: -99.893 tors. eta vs tors. theta energy: -7.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -714.551848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.551848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.551848 (E_RNA) where: Base-Base interactions energy: -256.019 where: short stacking energy: -195.388 Base-Backbone interact. energy: 8.739 local terms energy: -467.271059 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -150.038 flat angles C4'-P-C4' energy: -139.032 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: 29.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2747.074479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.074479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.074479 (E_RNA) where: Base-Base interactions energy: -1788.785 where: short stacking energy: -836.979 Base-Backbone interact. energy: -6.256 local terms energy: -952.032966 where: bonds (distance) C4'-P energy: -191.633 bonds (distance) P-C4' energy: -205.296 flat angles C4'-P-C4' energy: -193.635 flat angles P-C4'-P energy: -122.642 tors. eta vs tors. theta energy: -238.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2544.796324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.796324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.796324 (E_RNA) where: Base-Base interactions energy: -1673.701 where: short stacking energy: -739.756 Base-Backbone interact. energy: -7.810 local terms energy: -863.285535 where: bonds (distance) C4'-P energy: -184.679 bonds (distance) P-C4' energy: -171.209 flat angles C4'-P-C4' energy: -197.308 flat angles P-C4'-P energy: -116.558 tors. eta vs tors. theta energy: -193.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2227.945771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.945771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.945771 (E_RNA) where: Base-Base interactions energy: -1364.127 where: short stacking energy: -730.471 Base-Backbone interact. energy: -1.070 local terms energy: -862.748701 where: bonds (distance) C4'-P energy: -170.703 bonds (distance) P-C4' energy: -182.732 flat angles C4'-P-C4' energy: -190.926 flat angles P-C4'-P energy: -130.619 tors. eta vs tors. theta energy: -187.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2157.624359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.624359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.624359 (E_RNA) where: Base-Base interactions energy: -1348.647 where: short stacking energy: -675.792 Base-Backbone interact. energy: -2.624 local terms energy: -806.352802 where: bonds (distance) C4'-P energy: -181.567 bonds (distance) P-C4' energy: -153.180 flat angles C4'-P-C4' energy: -186.322 flat angles P-C4'-P energy: -114.431 tors. eta vs tors. theta energy: -170.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1809.510360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.510360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.510360 (E_RNA) where: Base-Base interactions energy: -1079.881 where: short stacking energy: -589.721 Base-Backbone interact. energy: -2.241 local terms energy: -727.388327 where: bonds (distance) C4'-P energy: -152.882 bonds (distance) P-C4' energy: -170.916 flat angles C4'-P-C4' energy: -175.219 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -128.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1808.145026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.145026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.145026 (E_RNA) where: Base-Base interactions energy: -1127.244 where: short stacking energy: -565.177 Base-Backbone interact. energy: -1.420 local terms energy: -679.480454 where: bonds (distance) C4'-P energy: -150.269 bonds (distance) P-C4' energy: -151.827 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -104.142 tors. eta vs tors. theta energy: -118.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1691.265319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.265319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.265319 (E_RNA) where: Base-Base interactions energy: -1039.594 where: short stacking energy: -531.327 Base-Backbone interact. energy: -0.155 local terms energy: -651.516215 where: bonds (distance) C4'-P energy: -134.940 bonds (distance) P-C4' energy: -133.093 flat angles C4'-P-C4' energy: -176.537 flat angles P-C4'-P energy: -100.568 tors. eta vs tors. theta energy: -106.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1285.791514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.791514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.791514 (E_RNA) where: Base-Base interactions energy: -707.893 where: short stacking energy: -394.003 Base-Backbone interact. energy: -0.867 local terms energy: -577.031387 where: bonds (distance) C4'-P energy: -141.061 bonds (distance) P-C4' energy: -170.441 flat angles C4'-P-C4' energy: -142.978 flat angles P-C4'-P energy: -88.327 tors. eta vs tors. theta energy: -34.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1032.985234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.985234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.985234 (E_RNA) where: Base-Base interactions energy: -527.847 where: short stacking energy: -290.030 Base-Backbone interact. energy: 1.482 local terms energy: -506.620524 where: bonds (distance) C4'-P energy: -149.481 bonds (distance) P-C4' energy: -148.235 flat angles C4'-P-C4' energy: -124.205 flat angles P-C4'-P energy: -86.397 tors. eta vs tors. theta energy: 1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -697.617319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.617319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.617319 (E_RNA) where: Base-Base interactions energy: -286.606 where: short stacking energy: -208.571 Base-Backbone interact. energy: 6.119 local terms energy: -417.130152 where: bonds (distance) C4'-P energy: -141.414 bonds (distance) P-C4' energy: -143.423 flat angles C4'-P-C4' energy: -94.791 flat angles P-C4'-P energy: -70.015 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2793.653509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.653509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.653509 (E_RNA) where: Base-Base interactions energy: -1833.864 where: short stacking energy: -901.030 Base-Backbone interact. energy: -6.794 local terms energy: -952.995670 where: bonds (distance) C4'-P energy: -170.629 bonds (distance) P-C4' energy: -175.862 flat angles C4'-P-C4' energy: -201.127 flat angles P-C4'-P energy: -143.266 tors. eta vs tors. theta energy: -262.112 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: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2546.581617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.581617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.581617 (E_RNA) where: Base-Base interactions energy: -1683.463 where: short stacking energy: -769.297 Base-Backbone interact. energy: -5.759 local terms energy: -857.358929 where: bonds (distance) C4'-P energy: -168.332 bonds (distance) P-C4' energy: -182.198 flat angles C4'-P-C4' energy: -196.753 flat angles P-C4'-P energy: -119.705 tors. eta vs tors. theta energy: -190.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2255.170640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.170640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.170640 (E_RNA) where: Base-Base interactions energy: -1410.006 where: short stacking energy: -719.236 Base-Backbone interact. energy: -2.671 local terms energy: -842.494008 where: bonds (distance) C4'-P energy: -176.402 bonds (distance) P-C4' energy: -169.390 flat angles C4'-P-C4' energy: -192.912 flat angles P-C4'-P energy: -110.797 tors. eta vs tors. theta energy: -192.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2202.844669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.844669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.844669 (E_RNA) where: Base-Base interactions energy: -1413.138 where: short stacking energy: -685.877 Base-Backbone interact. energy: 2.118 local terms energy: -791.825130 where: bonds (distance) C4'-P energy: -172.530 bonds (distance) P-C4' energy: -166.320 flat angles C4'-P-C4' energy: -180.069 flat angles P-C4'-P energy: -97.586 tors. eta vs tors. theta energy: -175.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1810.512778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.512778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.512778 (E_RNA) where: Base-Base interactions energy: -1093.928 where: short stacking energy: -585.694 Base-Backbone interact. energy: -0.660 local terms energy: -715.924557 where: bonds (distance) C4'-P energy: -155.291 bonds (distance) P-C4' energy: -161.800 flat angles C4'-P-C4' energy: -171.312 flat angles P-C4'-P energy: -100.885 tors. eta vs tors. theta energy: -126.637 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: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1873.507010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.507010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.507010 (E_RNA) where: Base-Base interactions energy: -1174.130 where: short stacking energy: -580.547 Base-Backbone interact. energy: -0.303 local terms energy: -699.073995 where: bonds (distance) C4'-P energy: -163.510 bonds (distance) P-C4' energy: -157.119 flat angles C4'-P-C4' energy: -144.263 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -129.227 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1659.814974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.814974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.814974 (E_RNA) where: Base-Base interactions energy: -1007.244 where: short stacking energy: -474.653 Base-Backbone interact. energy: 1.689 local terms energy: -654.259916 where: bonds (distance) C4'-P energy: -157.741 bonds (distance) P-C4' energy: -162.612 flat angles C4'-P-C4' energy: -151.836 flat angles P-C4'-P energy: -102.167 tors. eta vs tors. theta energy: -79.905 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: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1364.292908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.292908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.292908 (E_RNA) where: Base-Base interactions energy: -729.550 where: short stacking energy: -375.975 Base-Backbone interact. energy: -0.437 local terms energy: -634.305201 where: bonds (distance) C4'-P energy: -151.121 bonds (distance) P-C4' energy: -156.627 flat angles C4'-P-C4' energy: -164.666 flat angles P-C4'-P energy: -102.466 tors. eta vs tors. theta energy: -59.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -940.151270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.151270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.151270 (E_RNA) where: Base-Base interactions energy: -441.280 where: short stacking energy: -276.327 Base-Backbone interact. energy: -1.054 local terms energy: -497.817484 where: bonds (distance) C4'-P energy: -129.001 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -145.199 flat angles P-C4'-P energy: -87.378 tors. eta vs tors. theta energy: -1.690 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: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -704.340683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.340683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.340683 (E_RNA) where: Base-Base interactions energy: -272.282 where: short stacking energy: -190.467 Base-Backbone interact. energy: 7.458 local terms energy: -439.516629 where: bonds (distance) C4'-P energy: -146.060 bonds (distance) P-C4' energy: -147.730 flat angles C4'-P-C4' energy: -111.440 flat angles P-C4'-P energy: -75.163 tors. eta vs tors. theta energy: 40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2777.777653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.777653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.777653 (E_RNA) where: Base-Base interactions energy: -1809.106 where: short stacking energy: -880.656 Base-Backbone interact. energy: -4.849 local terms energy: -963.822463 where: bonds (distance) C4'-P energy: -182.333 bonds (distance) P-C4' energy: -187.215 flat angles C4'-P-C4' energy: -208.471 flat angles P-C4'-P energy: -139.391 tors. eta vs tors. theta energy: -246.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2571.021695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.021695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.021695 (E_RNA) where: Base-Base interactions energy: -1697.255 where: short stacking energy: -743.841 Base-Backbone interact. energy: -0.499 local terms energy: -873.267770 where: bonds (distance) C4'-P energy: -177.032 bonds (distance) P-C4' energy: -192.823 flat angles C4'-P-C4' energy: -189.210 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -203.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2267.239949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.239949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.239949 (E_RNA) where: Base-Base interactions energy: -1450.932 where: short stacking energy: -724.774 Base-Backbone interact. energy: -0.353 local terms energy: -815.955672 where: bonds (distance) C4'-P energy: -156.171 bonds (distance) P-C4' energy: -171.522 flat angles C4'-P-C4' energy: -183.921 flat angles P-C4'-P energy: -115.157 tors. eta vs tors. theta energy: -189.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2217.986550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.986550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.986550 (E_RNA) where: Base-Base interactions energy: -1388.207 where: short stacking energy: -658.841 Base-Backbone interact. energy: -2.939 local terms energy: -826.840868 where: bonds (distance) C4'-P energy: -166.865 bonds (distance) P-C4' energy: -188.399 flat angles C4'-P-C4' energy: -183.270 flat angles P-C4'-P energy: -112.147 tors. eta vs tors. theta energy: -176.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1971.887849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.887849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.887849 (E_RNA) where: Base-Base interactions energy: -1211.185 where: short stacking energy: -599.538 Base-Backbone interact. energy: -2.822 local terms energy: -757.881267 where: bonds (distance) C4'-P energy: -179.369 bonds (distance) P-C4' energy: -167.353 flat angles C4'-P-C4' energy: -167.224 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -136.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1739.519266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.519266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.519266 (E_RNA) where: Base-Base interactions energy: -1030.672 where: short stacking energy: -544.559 Base-Backbone interact. energy: -3.188 local terms energy: -705.658951 where: bonds (distance) C4'-P energy: -152.793 bonds (distance) P-C4' energy: -178.597 flat angles C4'-P-C4' energy: -160.994 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -115.686 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: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1700.668475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.668475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.668475 (E_RNA) where: Base-Base interactions energy: -1048.289 where: short stacking energy: -521.675 Base-Backbone interact. energy: 1.281 local terms energy: -653.660536 where: bonds (distance) C4'-P energy: -148.191 bonds (distance) P-C4' energy: -151.711 flat angles C4'-P-C4' energy: -162.218 flat angles P-C4'-P energy: -94.709 tors. eta vs tors. theta energy: -96.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1383.919235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.919235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.919235 (E_RNA) where: Base-Base interactions energy: -754.278 where: short stacking energy: -429.644 Base-Backbone interact. energy: 2.108 local terms energy: -631.749164 where: bonds (distance) C4'-P energy: -175.368 bonds (distance) P-C4' energy: -150.417 flat angles C4'-P-C4' energy: -140.402 flat angles P-C4'-P energy: -90.973 tors. eta vs tors. theta energy: -74.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -974.033019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.033019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.033019 (E_RNA) where: Base-Base interactions energy: -490.367 where: short stacking energy: -283.809 Base-Backbone interact. energy: -3.892 local terms energy: -479.773862 where: bonds (distance) C4'-P energy: -145.178 bonds (distance) P-C4' energy: -151.345 flat angles C4'-P-C4' energy: -126.818 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: 2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -772.851411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.851411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.851411 (E_RNA) where: Base-Base interactions energy: -353.415 where: short stacking energy: -223.858 Base-Backbone interact. energy: 0.147 local terms energy: -419.583564 where: bonds (distance) C4'-P energy: -129.956 bonds (distance) P-C4' energy: -140.332 flat angles C4'-P-C4' energy: -131.744 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: 42.039 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2765.842623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.842623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.842623 (E_RNA) where: Base-Base interactions energy: -1813.669 where: short stacking energy: -863.379 Base-Backbone interact. energy: -2.680 local terms energy: -949.493977 where: bonds (distance) C4'-P energy: -183.353 bonds (distance) P-C4' energy: -183.362 flat angles C4'-P-C4' energy: -191.535 flat angles P-C4'-P energy: -150.582 tors. eta vs tors. theta energy: -240.662 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: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2586.487933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.487933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.487933 (E_RNA) where: Base-Base interactions energy: -1698.046 where: short stacking energy: -793.904 Base-Backbone interact. energy: -5.555 local terms energy: -882.887009 where: bonds (distance) C4'-P energy: -174.954 bonds (distance) P-C4' energy: -172.130 flat angles C4'-P-C4' energy: -200.687 flat angles P-C4'-P energy: -127.394 tors. eta vs tors. theta energy: -207.721 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2275.817595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.817595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.817595 (E_RNA) where: Base-Base interactions energy: -1414.564 where: short stacking energy: -755.172 Base-Backbone interact. energy: 0.180 local terms energy: -861.434129 where: bonds (distance) C4'-P energy: -170.545 bonds (distance) P-C4' energy: -175.115 flat angles C4'-P-C4' energy: -181.924 flat angles P-C4'-P energy: -124.010 tors. eta vs tors. theta energy: -209.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2180.056374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.056374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.056374 (E_RNA) where: Base-Base interactions energy: -1406.416 where: short stacking energy: -657.251 Base-Backbone interact. energy: -1.148 local terms energy: -772.493047 where: bonds (distance) C4'-P energy: -172.733 bonds (distance) P-C4' energy: -156.536 flat angles C4'-P-C4' energy: -176.502 flat angles P-C4'-P energy: -104.974 tors. eta vs tors. theta energy: -161.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1961.077870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.077870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.077870 (E_RNA) where: Base-Base interactions energy: -1235.997 where: short stacking energy: -612.038 Base-Backbone interact. energy: -2.741 local terms energy: -722.339553 where: bonds (distance) C4'-P energy: -160.194 bonds (distance) P-C4' energy: -163.180 flat angles C4'-P-C4' energy: -161.096 flat angles P-C4'-P energy: -95.511 tors. eta vs tors. theta energy: -142.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1834.642417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.642417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.642417 (E_RNA) where: Base-Base interactions energy: -1098.362 where: short stacking energy: -583.005 Base-Backbone interact. energy: -0.921 local terms energy: -735.359416 where: bonds (distance) C4'-P energy: -161.554 bonds (distance) P-C4' energy: -154.874 flat angles C4'-P-C4' energy: -172.840 flat angles P-C4'-P energy: -102.983 tors. eta vs tors. theta energy: -143.108 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: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1695.373043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.373043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.373043 (E_RNA) where: Base-Base interactions energy: -1021.416 where: short stacking energy: -507.598 Base-Backbone interact. energy: 0.316 local terms energy: -674.272264 where: bonds (distance) C4'-P energy: -144.650 bonds (distance) P-C4' energy: -173.733 flat angles C4'-P-C4' energy: -147.941 flat angles P-C4'-P energy: -107.472 tors. eta vs tors. theta energy: -100.476 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: 51 Temperature: 1.250000 Total energy: -1378.100621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.100621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.100621 (E_RNA) where: Base-Base interactions energy: -762.791 where: short stacking energy: -388.522 Base-Backbone interact. energy: 1.252 local terms energy: -616.561831 where: bonds (distance) C4'-P energy: -144.225 bonds (distance) P-C4' energy: -171.742 flat angles C4'-P-C4' energy: -161.895 flat angles P-C4'-P energy: -81.298 tors. eta vs tors. theta energy: -57.403 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: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -957.366757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.366757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.366757 (E_RNA) where: Base-Base interactions energy: -462.546 where: short stacking energy: -250.683 Base-Backbone interact. energy: -2.510 local terms energy: -492.311244 where: bonds (distance) C4'-P energy: -139.432 bonds (distance) P-C4' energy: -157.045 flat angles C4'-P-C4' energy: -132.999 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: 14.568 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: 10, replica: 2 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -804.364623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.364623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.364623 (E_RNA) where: Base-Base interactions energy: -332.060 where: short stacking energy: -229.130 Base-Backbone interact. energy: 7.336 local terms energy: -479.640294 where: bonds (distance) C4'-P energy: -138.011 bonds (distance) P-C4' energy: -166.593 flat angles C4'-P-C4' energy: -121.822 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: 14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2797.281213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.281213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.281213 (E_RNA) where: Base-Base interactions energy: -1843.198 where: short stacking energy: -884.800 Base-Backbone interact. energy: -4.742 local terms energy: -949.341149 where: bonds (distance) C4'-P energy: -181.612 bonds (distance) P-C4' energy: -185.267 flat angles C4'-P-C4' energy: -202.307 flat angles P-C4'-P energy: -130.531 tors. eta vs tors. theta energy: -249.624 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: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2622.054425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.054425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.054425 (E_RNA) where: Base-Base interactions energy: -1735.269 where: short stacking energy: -774.224 Base-Backbone interact. energy: 1.538 local terms energy: -888.323391 where: bonds (distance) C4'-P energy: -174.814 bonds (distance) P-C4' energy: -186.823 flat angles C4'-P-C4' energy: -176.497 flat angles P-C4'-P energy: -130.737 tors. eta vs tors. theta energy: -219.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2358.360548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.360548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.360548 (E_RNA) where: Base-Base interactions energy: -1523.645 where: short stacking energy: -741.831 Base-Backbone interact. energy: 0.817 local terms energy: -835.532409 where: bonds (distance) C4'-P energy: -166.080 bonds (distance) P-C4' energy: -173.269 flat angles C4'-P-C4' energy: -200.112 flat angles P-C4'-P energy: -108.140 tors. eta vs tors. theta energy: -187.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2199.123840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.123840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.123840 (E_RNA) where: Base-Base interactions energy: -1363.634 where: short stacking energy: -709.488 Base-Backbone interact. energy: -0.731 local terms energy: -834.759049 where: bonds (distance) C4'-P energy: -161.967 bonds (distance) P-C4' energy: -192.632 flat angles C4'-P-C4' energy: -186.002 flat angles P-C4'-P energy: -111.202 tors. eta vs tors. theta energy: -182.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2034.106526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.106526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.106526 (E_RNA) where: Base-Base interactions energy: -1281.890 where: short stacking energy: -636.723 Base-Backbone interact. energy: 0.970 local terms energy: -753.186404 where: bonds (distance) C4'-P energy: -155.000 bonds (distance) P-C4' energy: -163.782 flat angles C4'-P-C4' energy: -161.066 flat angles P-C4'-P energy: -124.867 tors. eta vs tors. theta energy: -148.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1817.174115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.174115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.174115 (E_RNA) where: Base-Base interactions energy: -1107.146 where: short stacking energy: -558.215 Base-Backbone interact. energy: -2.424 local terms energy: -707.603809 where: bonds (distance) C4'-P energy: -170.938 bonds (distance) P-C4' energy: -172.795 flat angles C4'-P-C4' energy: -144.330 flat angles P-C4'-P energy: -105.715 tors. eta vs tors. theta energy: -113.825 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: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1634.562428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.562428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.562428 (E_RNA) where: Base-Base interactions energy: -939.708 where: short stacking energy: -471.873 Base-Backbone interact. energy: -1.670 local terms energy: -693.184128 where: bonds (distance) C4'-P energy: -172.405 bonds (distance) P-C4' energy: -170.944 flat angles C4'-P-C4' energy: -148.108 flat angles P-C4'-P energy: -92.404 tors. eta vs tors. theta energy: -109.324 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: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1312.576275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.576275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.576275 (E_RNA) where: Base-Base interactions energy: -706.709 where: short stacking energy: -360.087 Base-Backbone interact. energy: -2.001 local terms energy: -603.866669 where: bonds (distance) C4'-P energy: -160.957 bonds (distance) P-C4' energy: -148.108 flat angles C4'-P-C4' energy: -153.016 flat angles P-C4'-P energy: -93.982 tors. eta vs tors. theta energy: -47.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1004.997702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.997702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.997702 (E_RNA) where: Base-Base interactions energy: -524.279 where: short stacking energy: -288.603 Base-Backbone interact. energy: 1.954 local terms energy: -482.673331 where: bonds (distance) C4'-P energy: -130.900 bonds (distance) P-C4' energy: -147.873 flat angles C4'-P-C4' energy: -144.995 flat angles P-C4'-P energy: -65.233 tors. eta vs tors. theta energy: 6.328 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: 10, replica: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -884.314465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.314465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.314465 (E_RNA) where: Base-Base interactions energy: -375.782 where: short stacking energy: -244.054 Base-Backbone interact. energy: 5.321 local terms energy: -513.853450 where: bonds (distance) C4'-P energy: -160.746 bonds (distance) P-C4' energy: -163.610 flat angles C4'-P-C4' energy: -151.864 flat angles P-C4'-P energy: -75.289 tors. eta vs tors. theta energy: 37.655 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: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2784.085702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.085702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.085702 (E_RNA) where: Base-Base interactions energy: -1845.553 where: short stacking energy: -887.539 Base-Backbone interact. energy: -2.967 local terms energy: -935.565058 where: bonds (distance) C4'-P energy: -157.432 bonds (distance) P-C4' energy: -192.752 flat angles C4'-P-C4' energy: -209.835 flat angles P-C4'-P energy: -135.968 tors. eta vs tors. theta energy: -239.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2632.142587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.142587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.142587 (E_RNA) where: Base-Base interactions energy: -1724.230 where: short stacking energy: -797.951 Base-Backbone interact. energy: -6.018 local terms energy: -901.894176 where: bonds (distance) C4'-P energy: -185.866 bonds (distance) P-C4' energy: -189.779 flat angles C4'-P-C4' energy: -196.705 flat angles P-C4'-P energy: -126.734 tors. eta vs tors. theta energy: -202.809 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: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2404.893818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.893818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.893818 (E_RNA) where: Base-Base interactions energy: -1570.688 where: short stacking energy: -766.284 Base-Backbone interact. energy: 4.064 local terms energy: -838.270518 where: bonds (distance) C4'-P energy: -176.867 bonds (distance) P-C4' energy: -177.641 flat angles C4'-P-C4' energy: -191.897 flat angles P-C4'-P energy: -105.097 tors. eta vs tors. theta energy: -186.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2184.864738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.864738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.864738 (E_RNA) where: Base-Base interactions energy: -1356.180 where: short stacking energy: -667.483 Base-Backbone interact. energy: -0.463 local terms energy: -828.221849 where: bonds (distance) C4'-P energy: -181.756 bonds (distance) P-C4' energy: -180.728 flat angles C4'-P-C4' energy: -176.825 flat angles P-C4'-P energy: -113.850 tors. eta vs tors. theta energy: -175.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2091.956360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.956360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.956360 (E_RNA) where: Base-Base interactions energy: -1328.040 where: short stacking energy: -624.624 Base-Backbone interact. energy: 3.421 local terms energy: -767.337246 where: bonds (distance) C4'-P energy: -159.568 bonds (distance) P-C4' energy: -166.472 flat angles C4'-P-C4' energy: -170.657 flat angles P-C4'-P energy: -121.699 tors. eta vs tors. theta energy: -148.942 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: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1821.103806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.103806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.103806 (E_RNA) where: Base-Base interactions energy: -1105.117 where: short stacking energy: -583.671 Base-Backbone interact. energy: 1.371 local terms energy: -717.358089 where: bonds (distance) C4'-P energy: -153.080 bonds (distance) P-C4' energy: -169.158 flat angles C4'-P-C4' energy: -177.076 flat angles P-C4'-P energy: -98.688 tors. eta vs tors. theta energy: -119.355 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: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1604.456325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.456325 (E_RNA) where: Base-Base interactions energy: -932.747 where: short stacking energy: -473.732 Base-Backbone interact. energy: -2.454 local terms energy: -669.254934 where: bonds (distance) C4'-P energy: -146.636 bonds (distance) P-C4' energy: -170.098 flat angles C4'-P-C4' energy: -181.772 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -82.246 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: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1324.378585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.378585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.378585 (E_RNA) where: Base-Base interactions energy: -744.657 where: short stacking energy: -363.699 Base-Backbone interact. energy: -5.056 local terms energy: -574.665155 where: bonds (distance) C4'-P energy: -159.172 bonds (distance) P-C4' energy: -150.617 flat angles C4'-P-C4' energy: -131.533 flat angles P-C4'-P energy: -87.005 tors. eta vs tors. theta energy: -46.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1058.481636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.481636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.481636 (E_RNA) where: Base-Base interactions energy: -546.974 where: short stacking energy: -305.956 Base-Backbone interact. energy: 4.751 local terms energy: -516.258608 where: bonds (distance) C4'-P energy: -160.204 bonds (distance) P-C4' energy: -149.089 flat angles C4'-P-C4' energy: -125.002 flat angles P-C4'-P energy: -84.274 tors. eta vs tors. theta energy: 2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -804.928504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.928504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.928504 (E_RNA) where: Base-Base interactions energy: -335.744 where: short stacking energy: -210.187 Base-Backbone interact. energy: 5.272 local terms energy: -474.456611 where: bonds (distance) C4'-P energy: -139.530 bonds (distance) P-C4' energy: -161.285 flat angles C4'-P-C4' energy: -121.545 flat angles P-C4'-P energy: -59.933 tors. eta vs tors. theta energy: 7.836 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: 54 Temperature: 0.900000 Total energy: -2788.616003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.616003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.616003 (E_RNA) where: Base-Base interactions energy: -1850.382 where: short stacking energy: -877.951 Base-Backbone interact. energy: -4.266 local terms energy: -933.968184 where: bonds (distance) C4'-P energy: -193.110 bonds (distance) P-C4' energy: -186.205 flat angles C4'-P-C4' energy: -199.761 flat angles P-C4'-P energy: -121.446 tors. eta vs tors. theta energy: -233.447 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: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2632.608199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.608199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.608199 (E_RNA) where: Base-Base interactions energy: -1708.005 where: short stacking energy: -798.112 Base-Backbone interact. energy: -0.124 local terms energy: -924.479352 where: bonds (distance) C4'-P energy: -175.945 bonds (distance) P-C4' energy: -191.764 flat angles C4'-P-C4' energy: -203.554 flat angles P-C4'-P energy: -131.001 tors. eta vs tors. theta energy: -222.216 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: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2383.136858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.136858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.136858 (E_RNA) where: Base-Base interactions energy: -1511.273 where: short stacking energy: -715.548 Base-Backbone interact. energy: 2.439 local terms energy: -874.302813 where: bonds (distance) C4'-P energy: -176.758 bonds (distance) P-C4' energy: -194.444 flat angles C4'-P-C4' energy: -191.024 flat angles P-C4'-P energy: -121.836 tors. eta vs tors. theta energy: -190.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2203.071271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.071271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.071271 (E_RNA) where: Base-Base interactions energy: -1393.843 where: short stacking energy: -691.615 Base-Backbone interact. energy: -3.436 local terms energy: -805.792779 where: bonds (distance) C4'-P energy: -173.432 bonds (distance) P-C4' energy: -170.400 flat angles C4'-P-C4' energy: -173.330 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -183.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2117.037489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.037489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.037489 (E_RNA) where: Base-Base interactions energy: -1366.237 where: short stacking energy: -647.385 Base-Backbone interact. energy: -2.037 local terms energy: -748.763518 where: bonds (distance) C4'-P energy: -164.577 bonds (distance) P-C4' energy: -158.097 flat angles C4'-P-C4' energy: -175.088 flat angles P-C4'-P energy: -106.921 tors. eta vs tors. theta energy: -144.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1862.632648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.632648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.632648 (E_RNA) where: Base-Base interactions energy: -1157.285 where: short stacking energy: -591.225 Base-Backbone interact. energy: -0.967 local terms energy: -704.379750 where: bonds (distance) C4'-P energy: -133.646 bonds (distance) P-C4' energy: -168.265 flat angles C4'-P-C4' energy: -172.780 flat angles P-C4'-P energy: -105.257 tors. eta vs tors. theta energy: -124.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1627.225006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.225006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.225006 (E_RNA) where: Base-Base interactions energy: -951.368 where: short stacking energy: -517.422 Base-Backbone interact. energy: -2.884 local terms energy: -672.972240 where: bonds (distance) C4'-P energy: -151.024 bonds (distance) P-C4' energy: -160.072 flat angles C4'-P-C4' energy: -164.263 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -96.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1313.801914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.801914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.801914 (E_RNA) where: Base-Base interactions energy: -735.464 where: short stacking energy: -375.599 Base-Backbone interact. energy: -0.257 local terms energy: -578.080764 where: bonds (distance) C4'-P energy: -155.996 bonds (distance) P-C4' energy: -151.943 flat angles C4'-P-C4' energy: -139.108 flat angles P-C4'-P energy: -82.154 tors. eta vs tors. theta energy: -48.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -994.885945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.885945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.885945 (E_RNA) where: Base-Base interactions energy: -478.594 where: short stacking energy: -264.401 Base-Backbone interact. energy: -1.810 local terms energy: -514.481934 where: bonds (distance) C4'-P energy: -151.987 bonds (distance) P-C4' energy: -156.624 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -82.900 tors. eta vs tors. theta energy: 5.777 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: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -765.045777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.045777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.045777 (E_RNA) where: Base-Base interactions energy: -298.170 where: short stacking energy: -208.909 Base-Backbone interact. energy: -3.478 local terms energy: -463.397923 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -158.453 flat angles C4'-P-C4' energy: -124.171 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: 28.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2850.746599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.746599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.746599 (E_RNA) where: Base-Base interactions energy: -1932.171 where: short stacking energy: -921.241 Base-Backbone interact. energy: -3.237 local terms energy: -915.338663 where: bonds (distance) C4'-P energy: -147.144 bonds (distance) P-C4' energy: -182.465 flat angles C4'-P-C4' energy: -204.127 flat angles P-C4'-P energy: -146.824 tors. eta vs tors. theta energy: -234.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2614.760429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.760429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.760429 (E_RNA) where: Base-Base interactions energy: -1738.540 where: short stacking energy: -820.380 Base-Backbone interact. energy: -0.973 local terms energy: -875.246977 where: bonds (distance) C4'-P energy: -164.537 bonds (distance) P-C4' energy: -181.971 flat angles C4'-P-C4' energy: -192.392 flat angles P-C4'-P energy: -115.109 tors. eta vs tors. theta energy: -221.237 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: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2395.530219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.530219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.530219 (E_RNA) where: Base-Base interactions energy: -1523.615 where: short stacking energy: -701.487 Base-Backbone interact. energy: -2.918 local terms energy: -868.997630 where: bonds (distance) C4'-P energy: -175.943 bonds (distance) P-C4' energy: -192.798 flat angles C4'-P-C4' energy: -208.911 flat angles P-C4'-P energy: -110.443 tors. eta vs tors. theta energy: -180.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2183.300882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.300882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.300882 (E_RNA) where: Base-Base interactions energy: -1367.300 where: short stacking energy: -679.466 Base-Backbone interact. energy: -5.744 local terms energy: -810.256961 where: bonds (distance) C4'-P energy: -162.156 bonds (distance) P-C4' energy: -172.537 flat angles C4'-P-C4' energy: -186.632 flat angles P-C4'-P energy: -117.045 tors. eta vs tors. theta energy: -171.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2076.940596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.940596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.940596 (E_RNA) where: Base-Base interactions energy: -1260.201 where: short stacking energy: -635.416 Base-Backbone interact. energy: -1.232 local terms energy: -815.507613 where: bonds (distance) C4'-P energy: -170.001 bonds (distance) P-C4' energy: -181.738 flat angles C4'-P-C4' energy: -175.161 flat angles P-C4'-P energy: -124.124 tors. eta vs tors. theta energy: -164.484 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: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1873.268310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.268310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.268310 (E_RNA) where: Base-Base interactions energy: -1147.133 where: short stacking energy: -576.279 Base-Backbone interact. energy: -3.839 local terms energy: -722.295993 where: bonds (distance) C4'-P energy: -161.644 bonds (distance) P-C4' energy: -169.708 flat angles C4'-P-C4' energy: -154.656 flat angles P-C4'-P energy: -100.869 tors. eta vs tors. theta energy: -135.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1607.890283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.890283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.890283 (E_RNA) where: Base-Base interactions energy: -937.015 where: short stacking energy: -475.988 Base-Backbone interact. energy: 0.958 local terms energy: -671.833743 where: bonds (distance) C4'-P energy: -141.426 bonds (distance) P-C4' energy: -153.728 flat angles C4'-P-C4' energy: -169.083 flat angles P-C4'-P energy: -98.499 tors. eta vs tors. theta energy: -109.098 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: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1414.676748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.676748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.676748 (E_RNA) where: Base-Base interactions energy: -780.691 where: short stacking energy: -382.643 Base-Backbone interact. energy: -0.711 local terms energy: -633.274615 where: bonds (distance) C4'-P energy: -165.803 bonds (distance) P-C4' energy: -170.852 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -92.274 tors. eta vs tors. theta energy: -51.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -977.736913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.736913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.736913 (E_RNA) where: Base-Base interactions energy: -445.455 where: short stacking energy: -254.095 Base-Backbone interact. energy: 3.028 local terms energy: -535.309739 where: bonds (distance) C4'-P energy: -139.837 bonds (distance) P-C4' energy: -162.140 flat angles C4'-P-C4' energy: -146.869 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -10.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -803.710248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.710248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.710248 (E_RNA) where: Base-Base interactions energy: -349.569 where: short stacking energy: -251.389 Base-Backbone interact. energy: 4.412 local terms energy: -458.553802 where: bonds (distance) C4'-P energy: -148.576 bonds (distance) P-C4' energy: -154.896 flat angles C4'-P-C4' energy: -133.326 flat angles P-C4'-P energy: -54.848 tors. eta vs tors. theta energy: 33.092 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2826.588252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.588252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.588252 (E_RNA) where: Base-Base interactions energy: -1841.854 where: short stacking energy: -879.238 Base-Backbone interact. energy: -5.620 local terms energy: -979.114010 where: bonds (distance) C4'-P energy: -189.793 bonds (distance) P-C4' energy: -185.557 flat angles C4'-P-C4' energy: -214.340 flat angles P-C4'-P energy: -147.069 tors. eta vs tors. theta energy: -242.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2608.816896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.816896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.816896 (E_RNA) where: Base-Base interactions energy: -1734.957 where: short stacking energy: -775.194 Base-Backbone interact. energy: -4.166 local terms energy: -869.693516 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -186.876 flat angles C4'-P-C4' energy: -199.066 flat angles P-C4'-P energy: -120.870 tors. eta vs tors. theta energy: -215.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2421.357975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.357975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.357975 (E_RNA) where: Base-Base interactions energy: -1591.294 where: short stacking energy: -772.529 Base-Backbone interact. energy: -1.768 local terms energy: -828.295514 where: bonds (distance) C4'-P energy: -182.584 bonds (distance) P-C4' energy: -151.728 flat angles C4'-P-C4' energy: -178.273 flat angles P-C4'-P energy: -114.107 tors. eta vs tors. theta energy: -201.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2215.692984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.692984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.692984 (E_RNA) where: Base-Base interactions energy: -1391.078 where: short stacking energy: -692.815 Base-Backbone interact. energy: -2.147 local terms energy: -822.468142 where: bonds (distance) C4'-P energy: -163.776 bonds (distance) P-C4' energy: -177.469 flat angles C4'-P-C4' energy: -183.102 flat angles P-C4'-P energy: -108.234 tors. eta vs tors. theta energy: -189.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2170.932199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.932199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.932199 (E_RNA) where: Base-Base interactions energy: -1370.829 where: short stacking energy: -652.569 Base-Backbone interact. energy: -2.457 local terms energy: -797.645698 where: bonds (distance) C4'-P energy: -157.480 bonds (distance) P-C4' energy: -161.816 flat angles C4'-P-C4' energy: -179.631 flat angles P-C4'-P energy: -136.479 tors. eta vs tors. theta energy: -162.239 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: 56 Temperature: 1.150000 Total energy: -1868.015861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.015861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.015861 (E_RNA) where: Base-Base interactions energy: -1155.321 where: short stacking energy: -601.967 Base-Backbone interact. energy: -1.087 local terms energy: -711.607061 where: bonds (distance) C4'-P energy: -153.241 bonds (distance) P-C4' energy: -160.076 flat angles C4'-P-C4' energy: -153.012 flat angles P-C4'-P energy: -102.871 tors. eta vs tors. theta energy: -142.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1628.258418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.258418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.258418 (E_RNA) where: Base-Base interactions energy: -934.247 where: short stacking energy: -480.524 Base-Backbone interact. energy: 6.720 local terms energy: -700.731819 where: bonds (distance) C4'-P energy: -170.344 bonds (distance) P-C4' energy: -169.513 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -101.498 tors. eta vs tors. theta energy: -115.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1384.342160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.342160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.342160 (E_RNA) where: Base-Base interactions energy: -787.007 where: short stacking energy: -403.687 Base-Backbone interact. energy: -0.084 local terms energy: -597.250879 where: bonds (distance) C4'-P energy: -168.985 bonds (distance) P-C4' energy: -134.107 flat angles C4'-P-C4' energy: -145.982 flat angles P-C4'-P energy: -85.699 tors. eta vs tors. theta energy: -62.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -917.655849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.655849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.655849 (E_RNA) where: Base-Base interactions energy: -427.759 where: short stacking energy: -274.923 Base-Backbone interact. energy: 3.042 local terms energy: -492.939204 where: bonds (distance) C4'-P energy: -136.059 bonds (distance) P-C4' energy: -159.474 flat angles C4'-P-C4' energy: -134.021 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -769.386715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.386715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.386715 (E_RNA) where: Base-Base interactions energy: -291.738 where: short stacking energy: -168.973 Base-Backbone interact. energy: 1.355 local terms energy: -479.003562 where: bonds (distance) C4'-P energy: -145.065 bonds (distance) P-C4' energy: -157.306 flat angles C4'-P-C4' energy: -140.913 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: 42.934 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: 57 Temperature: 0.900000 Total energy: -2836.456671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.456671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.456671 (E_RNA) where: Base-Base interactions energy: -1881.742 where: short stacking energy: -872.433 Base-Backbone interact. energy: -3.684 local terms energy: -951.030570 where: bonds (distance) C4'-P energy: -179.927 bonds (distance) P-C4' energy: -194.024 flat angles C4'-P-C4' energy: -203.705 flat angles P-C4'-P energy: -133.876 tors. eta vs tors. theta energy: -239.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2596.678122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.678122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.678122 (E_RNA) where: Base-Base interactions energy: -1725.781 where: short stacking energy: -799.830 Base-Backbone interact. energy: -6.285 local terms energy: -864.611811 where: bonds (distance) C4'-P energy: -176.828 bonds (distance) P-C4' energy: -172.963 flat angles C4'-P-C4' energy: -194.236 flat angles P-C4'-P energy: -112.131 tors. eta vs tors. theta energy: -208.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2449.212290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.212290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.212290 (E_RNA) where: Base-Base interactions energy: -1573.370 where: short stacking energy: -750.259 Base-Backbone interact. energy: 7.990 local terms energy: -883.833107 where: bonds (distance) C4'-P energy: -190.953 bonds (distance) P-C4' energy: -181.198 flat angles C4'-P-C4' energy: -176.865 flat angles P-C4'-P energy: -131.546 tors. eta vs tors. theta energy: -203.272 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: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2358.556870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.556870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.556870 (E_RNA) where: Base-Base interactions energy: -1529.865 where: short stacking energy: -722.582 Base-Backbone interact. energy: 4.575 local terms energy: -833.266580 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -171.903 flat angles C4'-P-C4' energy: -180.352 flat angles P-C4'-P energy: -141.965 tors. eta vs tors. theta energy: -190.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2090.864396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.864396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.864396 (E_RNA) where: Base-Base interactions energy: -1288.147 where: short stacking energy: -650.460 Base-Backbone interact. energy: -2.288 local terms energy: -800.429980 where: bonds (distance) C4'-P energy: -170.410 bonds (distance) P-C4' energy: -178.644 flat angles C4'-P-C4' energy: -178.578 flat angles P-C4'-P energy: -108.235 tors. eta vs tors. theta energy: -164.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1868.659614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.659614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.659614 (E_RNA) where: Base-Base interactions energy: -1149.551 where: short stacking energy: -574.159 Base-Backbone interact. energy: -0.458 local terms energy: -718.650051 where: bonds (distance) C4'-P energy: -148.993 bonds (distance) P-C4' energy: -167.774 flat angles C4'-P-C4' energy: -170.378 flat angles P-C4'-P energy: -100.833 tors. eta vs tors. theta energy: -130.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1673.801878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.801878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.801878 (E_RNA) where: Base-Base interactions energy: -956.121 where: short stacking energy: -478.042 Base-Backbone interact. energy: 0.815 local terms energy: -718.495867 where: bonds (distance) C4'-P energy: -160.515 bonds (distance) P-C4' energy: -165.251 flat angles C4'-P-C4' energy: -171.713 flat angles P-C4'-P energy: -115.339 tors. eta vs tors. theta energy: -105.678 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: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1370.416609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.416609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.416609 (E_RNA) where: Base-Base interactions energy: -817.567 where: short stacking energy: -394.109 Base-Backbone interact. energy: 0.257 local terms energy: -553.106616 where: bonds (distance) C4'-P energy: -128.948 bonds (distance) P-C4' energy: -159.420 flat angles C4'-P-C4' energy: -157.359 flat angles P-C4'-P energy: -74.401 tors. eta vs tors. theta energy: -32.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -990.427298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.427298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.427298 (E_RNA) where: Base-Base interactions energy: -489.295 where: short stacking energy: -302.619 Base-Backbone interact. energy: -1.999 local terms energy: -499.133501 where: bonds (distance) C4'-P energy: -169.665 bonds (distance) P-C4' energy: -161.131 flat angles C4'-P-C4' energy: -128.133 flat angles P-C4'-P energy: -32.622 tors. eta vs tors. theta energy: -7.583 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: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -872.895110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.895110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.895110 (E_RNA) where: Base-Base interactions energy: -403.445 where: short stacking energy: -245.910 Base-Backbone interact. energy: 1.614 local terms energy: -471.063828 where: bonds (distance) C4'-P energy: -127.899 bonds (distance) P-C4' energy: -144.939 flat angles C4'-P-C4' energy: -146.452 flat angles P-C4'-P energy: -49.338 tors. eta vs tors. theta energy: -2.436 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: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2880.219329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.219329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.219329 (E_RNA) where: Base-Base interactions energy: -1902.829 where: short stacking energy: -910.242 Base-Backbone interact. energy: 5.619 local terms energy: -983.009175 where: bonds (distance) C4'-P energy: -185.417 bonds (distance) P-C4' energy: -189.784 flat angles C4'-P-C4' energy: -203.164 flat angles P-C4'-P energy: -145.717 tors. eta vs tors. theta energy: -258.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2654.327439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.327439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.327439 (E_RNA) where: Base-Base interactions energy: -1731.590 where: short stacking energy: -804.367 Base-Backbone interact. energy: -6.381 local terms energy: -916.357067 where: bonds (distance) C4'-P energy: -193.320 bonds (distance) P-C4' energy: -174.987 flat angles C4'-P-C4' energy: -194.948 flat angles P-C4'-P energy: -131.878 tors. eta vs tors. theta energy: -221.225 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: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2497.113254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.113254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.113254 (E_RNA) where: Base-Base interactions energy: -1627.244 where: short stacking energy: -771.518 Base-Backbone interact. energy: 1.195 local terms energy: -871.064327 where: bonds (distance) C4'-P energy: -170.474 bonds (distance) P-C4' energy: -166.402 flat angles C4'-P-C4' energy: -184.941 flat angles P-C4'-P energy: -129.469 tors. eta vs tors. theta energy: -219.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2408.630952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.630952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.630952 (E_RNA) where: Base-Base interactions energy: -1587.048 where: short stacking energy: -747.786 Base-Backbone interact. energy: -4.351 local terms energy: -817.231748 where: bonds (distance) C4'-P energy: -138.699 bonds (distance) P-C4' energy: -159.022 flat angles C4'-P-C4' energy: -180.007 flat angles P-C4'-P energy: -129.390 tors. eta vs tors. theta energy: -210.114 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: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2090.828793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.828793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.828793 (E_RNA) where: Base-Base interactions energy: -1328.558 where: short stacking energy: -642.130 Base-Backbone interact. energy: -1.190 local terms energy: -761.080183 where: bonds (distance) C4'-P energy: -171.162 bonds (distance) P-C4' energy: -164.316 flat angles C4'-P-C4' energy: -184.021 flat angles P-C4'-P energy: -89.568 tors. eta vs tors. theta energy: -152.013 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: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1850.245880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.245880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.245880 (E_RNA) where: Base-Base interactions energy: -1118.233 where: short stacking energy: -550.465 Base-Backbone interact. energy: -1.357 local terms energy: -730.655884 where: bonds (distance) C4'-P energy: -180.809 bonds (distance) P-C4' energy: -168.615 flat angles C4'-P-C4' energy: -156.352 flat angles P-C4'-P energy: -110.351 tors. eta vs tors. theta energy: -114.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1618.796290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.796290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.796290 (E_RNA) where: Base-Base interactions energy: -971.235 where: short stacking energy: -474.948 Base-Backbone interact. energy: -1.816 local terms energy: -645.745592 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -159.377 flat angles C4'-P-C4' energy: -150.799 flat angles P-C4'-P energy: -95.379 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: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1452.753696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.753696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.753696 (E_RNA) where: Base-Base interactions energy: -843.657 where: short stacking energy: -423.389 Base-Backbone interact. energy: -2.585 local terms energy: -606.511252 where: bonds (distance) C4'-P energy: -139.037 bonds (distance) P-C4' energy: -162.528 flat angles C4'-P-C4' energy: -133.562 flat angles P-C4'-P energy: -103.623 tors. eta vs tors. theta energy: -67.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -982.820846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.820846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.820846 (E_RNA) where: Base-Base interactions energy: -462.101 where: short stacking energy: -277.323 Base-Backbone interact. energy: -0.930 local terms energy: -519.789774 where: bonds (distance) C4'-P energy: -128.999 bonds (distance) P-C4' energy: -171.697 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -78.428 tors. eta vs tors. theta energy: 0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -839.760305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.760305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.760305 (E_RNA) where: Base-Base interactions energy: -378.126 where: short stacking energy: -239.256 Base-Backbone interact. energy: 1.883 local terms energy: -463.517254 where: bonds (distance) C4'-P energy: -114.237 bonds (distance) P-C4' energy: -156.775 flat angles C4'-P-C4' energy: -114.433 flat angles P-C4'-P energy: -79.830 tors. eta vs tors. theta energy: 1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2878.906047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.906047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.906047 (E_RNA) where: Base-Base interactions energy: -1933.446 where: short stacking energy: -909.901 Base-Backbone interact. energy: 2.115 local terms energy: -947.574730 where: bonds (distance) C4'-P energy: -182.015 bonds (distance) P-C4' energy: -178.228 flat angles C4'-P-C4' energy: -215.543 flat angles P-C4'-P energy: -110.714 tors. eta vs tors. theta energy: -261.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2614.682296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.682296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.682296 (E_RNA) where: Base-Base interactions energy: -1703.136 where: short stacking energy: -790.383 Base-Backbone interact. energy: -2.552 local terms energy: -908.993870 where: bonds (distance) C4'-P energy: -179.371 bonds (distance) P-C4' energy: -192.339 flat angles C4'-P-C4' energy: -201.921 flat angles P-C4'-P energy: -121.513 tors. eta vs tors. theta energy: -213.851 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: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2549.745462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.745462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.745462 (E_RNA) where: Base-Base interactions energy: -1673.580 where: short stacking energy: -803.425 Base-Backbone interact. energy: 0.087 local terms energy: -876.252507 where: bonds (distance) C4'-P energy: -157.619 bonds (distance) P-C4' energy: -182.883 flat angles C4'-P-C4' energy: -197.475 flat angles P-C4'-P energy: -125.083 tors. eta vs tors. theta energy: -213.193 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: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2450.521864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.521864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.521864 (E_RNA) where: Base-Base interactions energy: -1623.794 where: short stacking energy: -758.129 Base-Backbone interact. energy: -0.764 local terms energy: -825.963072 where: bonds (distance) C4'-P energy: -159.457 bonds (distance) P-C4' energy: -168.483 flat angles C4'-P-C4' energy: -196.070 flat angles P-C4'-P energy: -120.029 tors. eta vs tors. theta energy: -181.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2103.965443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.965443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.965443 (E_RNA) where: Base-Base interactions energy: -1333.910 where: short stacking energy: -683.184 Base-Backbone interact. energy: 2.104 local terms energy: -772.159125 where: bonds (distance) C4'-P energy: -138.723 bonds (distance) P-C4' energy: -161.326 flat angles C4'-P-C4' energy: -182.739 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -193.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1878.922726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.922726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.922726 (E_RNA) where: Base-Base interactions energy: -1184.995 where: short stacking energy: -600.405 Base-Backbone interact. energy: 6.259 local terms energy: -700.186211 where: bonds (distance) C4'-P energy: -162.952 bonds (distance) P-C4' energy: -164.519 flat angles C4'-P-C4' energy: -161.217 flat angles P-C4'-P energy: -97.456 tors. eta vs tors. theta energy: -114.042 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: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1679.505892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.505892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.505892 (E_RNA) where: Base-Base interactions energy: -1007.598 where: short stacking energy: -500.030 Base-Backbone interact. energy: -2.974 local terms energy: -668.934486 where: bonds (distance) C4'-P energy: -151.280 bonds (distance) P-C4' energy: -149.102 flat angles C4'-P-C4' energy: -170.907 flat angles P-C4'-P energy: -94.941 tors. eta vs tors. theta energy: -102.704 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: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1444.605634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.605634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.605634 (E_RNA) where: Base-Base interactions energy: -836.276 where: short stacking energy: -445.962 Base-Backbone interact. energy: 2.004 local terms energy: -610.333398 where: bonds (distance) C4'-P energy: -135.580 bonds (distance) P-C4' energy: -156.701 flat angles C4'-P-C4' energy: -161.342 flat angles P-C4'-P energy: -80.537 tors. eta vs tors. theta energy: -76.174 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: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -857.857754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.857754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.857754 (E_RNA) where: Base-Base interactions energy: -421.024 where: short stacking energy: -274.487 Base-Backbone interact. energy: 3.624 local terms energy: -440.457727 where: bonds (distance) C4'-P energy: -139.205 bonds (distance) P-C4' energy: -148.504 flat angles C4'-P-C4' energy: -122.863 flat angles P-C4'-P energy: -53.054 tors. eta vs tors. theta energy: 23.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -859.768624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.768624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.768624 (E_RNA) where: Base-Base interactions energy: -381.304 where: short stacking energy: -257.566 Base-Backbone interact. energy: 2.853 local terms energy: -481.316708 where: bonds (distance) C4'-P energy: -146.703 bonds (distance) P-C4' energy: -137.797 flat angles C4'-P-C4' energy: -142.294 flat angles P-C4'-P energy: -64.194 tors. eta vs tors. theta energy: 9.671 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: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2868.740739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.740739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.740739 (E_RNA) where: Base-Base interactions energy: -1931.135 where: short stacking energy: -873.352 Base-Backbone interact. energy: -4.212 local terms energy: -933.393904 where: bonds (distance) C4'-P energy: -172.113 bonds (distance) P-C4' energy: -174.169 flat angles C4'-P-C4' energy: -204.899 flat angles P-C4'-P energy: -139.364 tors. eta vs tors. theta energy: -242.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2653.571662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.571662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.571662 (E_RNA) where: Base-Base interactions energy: -1736.151 where: short stacking energy: -790.668 Base-Backbone interact. energy: -5.643 local terms energy: -911.777787 where: bonds (distance) C4'-P energy: -175.846 bonds (distance) P-C4' energy: -178.838 flat angles C4'-P-C4' energy: -196.555 flat angles P-C4'-P energy: -134.785 tors. eta vs tors. theta energy: -225.754 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2518.648248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.648248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.648248 (E_RNA) where: Base-Base interactions energy: -1628.281 where: short stacking energy: -773.573 Base-Backbone interact. energy: -3.936 local terms energy: -886.431629 where: bonds (distance) C4'-P energy: -160.128 bonds (distance) P-C4' energy: -172.872 flat angles C4'-P-C4' energy: -206.043 flat angles P-C4'-P energy: -132.160 tors. eta vs tors. theta energy: -215.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2358.316060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.316060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.316060 (E_RNA) where: Base-Base interactions energy: -1541.057 where: short stacking energy: -746.806 Base-Backbone interact. energy: -3.150 local terms energy: -814.109050 where: bonds (distance) C4'-P energy: -167.026 bonds (distance) P-C4' energy: -167.363 flat angles C4'-P-C4' energy: -174.361 flat angles P-C4'-P energy: -105.262 tors. eta vs tors. theta energy: -200.098 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: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1993.888351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.888351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.888351 (E_RNA) where: Base-Base interactions energy: -1223.330 where: short stacking energy: -604.649 Base-Backbone interact. energy: -2.251 local terms energy: -768.307405 where: bonds (distance) C4'-P energy: -182.683 bonds (distance) P-C4' energy: -175.639 flat angles C4'-P-C4' energy: -177.894 flat angles P-C4'-P energy: -96.527 tors. eta vs tors. theta energy: -135.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1895.189553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.189553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.189553 (E_RNA) where: Base-Base interactions energy: -1183.765 where: short stacking energy: -564.599 Base-Backbone interact. energy: -2.956 local terms energy: -708.468926 where: bonds (distance) C4'-P energy: -159.240 bonds (distance) P-C4' energy: -144.023 flat angles C4'-P-C4' energy: -163.479 flat angles P-C4'-P energy: -110.183 tors. eta vs tors. theta energy: -131.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1620.014219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.014219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.014219 (E_RNA) where: Base-Base interactions energy: -960.212 where: short stacking energy: -501.738 Base-Backbone interact. energy: -0.153 local terms energy: -659.649679 where: bonds (distance) C4'-P energy: -154.326 bonds (distance) P-C4' energy: -146.732 flat angles C4'-P-C4' energy: -170.465 flat angles P-C4'-P energy: -77.859 tors. eta vs tors. theta energy: -110.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1421.568275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.568275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.568275 (E_RNA) where: Base-Base interactions energy: -795.691 where: short stacking energy: -388.520 Base-Backbone interact. energy: -1.409 local terms energy: -624.467685 where: bonds (distance) C4'-P energy: -171.816 bonds (distance) P-C4' energy: -169.909 flat angles C4'-P-C4' energy: -139.327 flat angles P-C4'-P energy: -87.991 tors. eta vs tors. theta energy: -55.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -866.933303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.933303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.933303 (E_RNA) where: Base-Base interactions energy: -392.986 where: short stacking energy: -262.251 Base-Backbone interact. energy: 3.236 local terms energy: -477.183164 where: bonds (distance) C4'-P energy: -129.552 bonds (distance) P-C4' energy: -171.289 flat angles C4'-P-C4' energy: -128.931 flat angles P-C4'-P energy: -50.277 tors. eta vs tors. theta energy: 2.865 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: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -880.443298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.443298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.443298 (E_RNA) where: Base-Base interactions energy: -372.246 where: short stacking energy: -215.037 Base-Backbone interact. energy: -1.592 local terms energy: -506.605531 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -167.121 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: 13.457 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: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2866.392318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.392318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.392318 (E_RNA) where: Base-Base interactions energy: -1910.704 where: short stacking energy: -887.708 Base-Backbone interact. energy: 5.302 local terms energy: -960.990725 where: bonds (distance) C4'-P energy: -186.579 bonds (distance) P-C4' energy: -191.340 flat angles C4'-P-C4' energy: -195.598 flat angles P-C4'-P energy: -138.577 tors. eta vs tors. theta energy: -248.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2691.244731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.244731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.244731 (E_RNA) where: Base-Base interactions energy: -1760.675 where: short stacking energy: -830.319 Base-Backbone interact. energy: -5.731 local terms energy: -924.839582 where: bonds (distance) C4'-P energy: -188.710 bonds (distance) P-C4' energy: -184.835 flat angles C4'-P-C4' energy: -199.130 flat angles P-C4'-P energy: -132.287 tors. eta vs tors. theta energy: -219.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2542.363981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.363981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.363981 (E_RNA) where: Base-Base interactions energy: -1649.574 where: short stacking energy: -785.191 Base-Backbone interact. energy: -4.724 local terms energy: -888.066760 where: bonds (distance) C4'-P energy: -174.487 bonds (distance) P-C4' energy: -169.666 flat angles C4'-P-C4' energy: -185.148 flat angles P-C4'-P energy: -133.086 tors. eta vs tors. theta energy: -225.680 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: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2338.011948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.011948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.011948 (E_RNA) where: Base-Base interactions energy: -1525.545 where: short stacking energy: -716.619 Base-Backbone interact. energy: -0.412 local terms energy: -812.055041 where: bonds (distance) C4'-P energy: -156.361 bonds (distance) P-C4' energy: -157.201 flat angles C4'-P-C4' energy: -180.094 flat angles P-C4'-P energy: -124.323 tors. eta vs tors. theta energy: -194.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2030.284771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.284771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.284771 (E_RNA) where: Base-Base interactions energy: -1256.628 where: short stacking energy: -645.627 Base-Backbone interact. energy: -0.268 local terms energy: -773.389023 where: bonds (distance) C4'-P energy: -160.448 bonds (distance) P-C4' energy: -178.207 flat angles C4'-P-C4' energy: -171.415 flat angles P-C4'-P energy: -102.078 tors. eta vs tors. theta energy: -161.240 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: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1917.468254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.468254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.468254 (E_RNA) where: Base-Base interactions energy: -1203.292 where: short stacking energy: -553.321 Base-Backbone interact. energy: -2.506 local terms energy: -711.670413 where: bonds (distance) C4'-P energy: -179.784 bonds (distance) P-C4' energy: -181.676 flat angles C4'-P-C4' energy: -154.385 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -92.887 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: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1615.262612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.262612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.262612 (E_RNA) where: Base-Base interactions energy: -970.045 where: short stacking energy: -495.800 Base-Backbone interact. energy: -1.744 local terms energy: -643.473234 where: bonds (distance) C4'-P energy: -135.398 bonds (distance) P-C4' energy: -150.155 flat angles C4'-P-C4' energy: -167.592 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -98.068 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: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1438.809655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.809655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.809655 (E_RNA) where: Base-Base interactions energy: -826.221 where: short stacking energy: -420.499 Base-Backbone interact. energy: 2.440 local terms energy: -615.028658 where: bonds (distance) C4'-P energy: -157.877 bonds (distance) P-C4' energy: -147.663 flat angles C4'-P-C4' energy: -153.262 flat angles P-C4'-P energy: -104.163 tors. eta vs tors. theta energy: -52.064 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: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -973.163138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.163138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.163138 (E_RNA) where: Base-Base interactions energy: -459.870 where: short stacking energy: -282.045 Base-Backbone interact. energy: 1.362 local terms energy: -514.655253 where: bonds (distance) C4'-P energy: -126.497 bonds (distance) P-C4' energy: -165.414 flat angles C4'-P-C4' energy: -131.231 flat angles P-C4'-P energy: -83.244 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: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -901.310820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.310820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.310820 (E_RNA) where: Base-Base interactions energy: -397.074 where: short stacking energy: -245.887 Base-Backbone interact. energy: 1.241 local terms energy: -505.477749 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -157.760 flat angles C4'-P-C4' energy: -146.451 flat angles P-C4'-P energy: -57.046 tors. eta vs tors. theta energy: 4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2833.373829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.373829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.373829 (E_RNA) where: Base-Base interactions energy: -1908.372 where: short stacking energy: -873.178 Base-Backbone interact. energy: -1.452 local terms energy: -923.549782 where: bonds (distance) C4'-P energy: -187.695 bonds (distance) P-C4' energy: -176.256 flat angles C4'-P-C4' energy: -207.429 flat angles P-C4'-P energy: -126.192 tors. eta vs tors. theta energy: -225.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2661.977435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.977435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.977435 (E_RNA) where: Base-Base interactions energy: -1766.259 where: short stacking energy: -844.234 Base-Backbone interact. energy: -5.574 local terms energy: -890.144352 where: bonds (distance) C4'-P energy: -180.386 bonds (distance) P-C4' energy: -179.555 flat angles C4'-P-C4' energy: -182.864 flat angles P-C4'-P energy: -120.463 tors. eta vs tors. theta energy: -226.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2640.800015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.800015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.800015 (E_RNA) where: Base-Base interactions energy: -1742.704 where: short stacking energy: -858.273 Base-Backbone interact. energy: 0.457 local terms energy: -898.553226 where: bonds (distance) C4'-P energy: -150.855 bonds (distance) P-C4' energy: -182.177 flat angles C4'-P-C4' energy: -206.976 flat angles P-C4'-P energy: -124.430 tors. eta vs tors. theta energy: -234.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2400.935165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.935165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.935165 (E_RNA) where: Base-Base interactions energy: -1579.738 where: short stacking energy: -734.619 Base-Backbone interact. energy: -6.439 local terms energy: -814.757903 where: bonds (distance) C4'-P energy: -164.271 bonds (distance) P-C4' energy: -165.601 flat angles C4'-P-C4' energy: -181.123 flat angles P-C4'-P energy: -115.459 tors. eta vs tors. theta energy: -188.304 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: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2016.272223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.272223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.272223 (E_RNA) where: Base-Base interactions energy: -1258.205 where: short stacking energy: -661.636 Base-Backbone interact. energy: 1.414 local terms energy: -759.481558 where: bonds (distance) C4'-P energy: -162.964 bonds (distance) P-C4' energy: -164.732 flat angles C4'-P-C4' energy: -160.349 flat angles P-C4'-P energy: -106.632 tors. eta vs tors. theta energy: -164.804 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1877.535468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.535468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.535468 (E_RNA) where: Base-Base interactions energy: -1161.133 where: short stacking energy: -539.468 Base-Backbone interact. energy: -4.097 local terms energy: -712.305695 where: bonds (distance) C4'-P energy: -147.378 bonds (distance) P-C4' energy: -158.929 flat angles C4'-P-C4' energy: -178.750 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -129.038 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: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1637.873452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.873452 (E_RNA) where: Base-Base interactions energy: -972.938 where: short stacking energy: -487.249 Base-Backbone interact. energy: 1.253 local terms energy: -666.188480 where: bonds (distance) C4'-P energy: -141.305 bonds (distance) P-C4' energy: -170.178 flat angles C4'-P-C4' energy: -156.979 flat angles P-C4'-P energy: -91.653 tors. eta vs tors. theta energy: -106.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1406.283503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.283503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.283503 (E_RNA) where: Base-Base interactions energy: -803.784 where: short stacking energy: -394.059 Base-Backbone interact. energy: 2.372 local terms energy: -604.871186 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -170.339 flat angles C4'-P-C4' energy: -146.346 flat angles P-C4'-P energy: -94.417 tors. eta vs tors. theta energy: -54.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1011.672703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.672703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.672703 (E_RNA) where: Base-Base interactions energy: -517.918 where: short stacking energy: -321.106 Base-Backbone interact. energy: -2.899 local terms energy: -490.854763 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -125.125 flat angles C4'-P-C4' energy: -144.405 flat angles P-C4'-P energy: -83.669 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -842.557710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.557710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.557710 (E_RNA) where: Base-Base interactions energy: -388.656 where: short stacking energy: -254.253 Base-Backbone interact. energy: 2.666 local terms energy: -456.567503 where: bonds (distance) C4'-P energy: -153.902 bonds (distance) P-C4' energy: -131.862 flat angles C4'-P-C4' energy: -129.513 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: 19.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2866.615775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.615775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.615775 (E_RNA) where: Base-Base interactions energy: -1930.357 where: short stacking energy: -900.769 Base-Backbone interact. energy: 1.885 local terms energy: -938.144545 where: bonds (distance) C4'-P energy: -183.813 bonds (distance) P-C4' energy: -179.463 flat angles C4'-P-C4' energy: -202.052 flat angles P-C4'-P energy: -135.478 tors. eta vs tors. theta energy: -237.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2662.793038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.793038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.793038 (E_RNA) where: Base-Base interactions energy: -1739.171 where: short stacking energy: -827.786 Base-Backbone interact. energy: -6.433 local terms energy: -917.189172 where: bonds (distance) C4'-P energy: -170.281 bonds (distance) P-C4' energy: -184.963 flat angles C4'-P-C4' energy: -197.771 flat angles P-C4'-P energy: -133.038 tors. eta vs tors. theta energy: -231.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2632.104708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.104708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.104708 (E_RNA) where: Base-Base interactions energy: -1713.145 where: short stacking energy: -828.938 Base-Backbone interact. energy: -5.262 local terms energy: -913.698091 where: bonds (distance) C4'-P energy: -163.135 bonds (distance) P-C4' energy: -186.852 flat angles C4'-P-C4' energy: -206.822 flat angles P-C4'-P energy: -122.615 tors. eta vs tors. theta energy: -234.275 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: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2447.794613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.794613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.794613 (E_RNA) where: Base-Base interactions energy: -1626.351 where: short stacking energy: -749.662 Base-Backbone interact. energy: 2.633 local terms energy: -824.076169 where: bonds (distance) C4'-P energy: -157.790 bonds (distance) P-C4' energy: -176.291 flat angles C4'-P-C4' energy: -183.284 flat angles P-C4'-P energy: -108.430 tors. eta vs tors. theta energy: -198.281 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: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1999.266881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.266881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.266881 (E_RNA) where: Base-Base interactions energy: -1227.861 where: short stacking energy: -601.749 Base-Backbone interact. energy: -0.409 local terms energy: -770.996197 where: bonds (distance) C4'-P energy: -165.961 bonds (distance) P-C4' energy: -188.705 flat angles C4'-P-C4' energy: -178.853 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -139.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1797.761293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.761293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.761293 (E_RNA) where: Base-Base interactions energy: -1091.365 where: short stacking energy: -536.708 Base-Backbone interact. energy: -2.718 local terms energy: -703.678262 where: bonds (distance) C4'-P energy: -165.781 bonds (distance) P-C4' energy: -171.590 flat angles C4'-P-C4' energy: -162.815 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -101.545 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: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1654.073273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.073273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.073273 (E_RNA) where: Base-Base interactions energy: -970.162 where: short stacking energy: -507.415 Base-Backbone interact. energy: -1.511 local terms energy: -682.400177 where: bonds (distance) C4'-P energy: -150.673 bonds (distance) P-C4' energy: -153.726 flat angles C4'-P-C4' energy: -166.557 flat angles P-C4'-P energy: -110.858 tors. eta vs tors. theta energy: -100.586 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: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1441.961095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.961095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.961095 (E_RNA) where: Base-Base interactions energy: -828.010 where: short stacking energy: -427.833 Base-Backbone interact. energy: 3.447 local terms energy: -617.397364 where: bonds (distance) C4'-P energy: -152.641 bonds (distance) P-C4' energy: -151.673 flat angles C4'-P-C4' energy: -154.000 flat angles P-C4'-P energy: -101.524 tors. eta vs tors. theta energy: -57.560 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: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1041.035435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.035435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.035435 (E_RNA) where: Base-Base interactions energy: -506.137 where: short stacking energy: -332.293 Base-Backbone interact. energy: -3.070 local terms energy: -531.828887 where: bonds (distance) C4'-P energy: -126.358 bonds (distance) P-C4' energy: -139.806 flat angles C4'-P-C4' energy: -139.133 flat angles P-C4'-P energy: -92.059 tors. eta vs tors. theta energy: -34.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -908.324120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.324120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.324120 (E_RNA) where: Base-Base interactions energy: -430.615 where: short stacking energy: -263.307 Base-Backbone interact. energy: 4.905 local terms energy: -482.614361 where: bonds (distance) C4'-P energy: -145.319 bonds (distance) P-C4' energy: -143.316 flat angles C4'-P-C4' energy: -123.120 flat angles P-C4'-P energy: -74.252 tors. eta vs tors. theta energy: 3.393 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: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2903.603983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.603983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.603983 (E_RNA) where: Base-Base interactions energy: -1935.393 where: short stacking energy: -873.328 Base-Backbone interact. energy: -4.013 local terms energy: -964.197577 where: bonds (distance) C4'-P energy: -171.199 bonds (distance) P-C4' energy: -175.989 flat angles C4'-P-C4' energy: -209.307 flat angles P-C4'-P energy: -140.281 tors. eta vs tors. theta energy: -267.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2664.455476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.455476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.455476 (E_RNA) where: Base-Base interactions energy: -1763.180 where: short stacking energy: -848.074 Base-Backbone interact. energy: -4.644 local terms energy: -896.631581 where: bonds (distance) C4'-P energy: -167.469 bonds (distance) P-C4' energy: -181.072 flat angles C4'-P-C4' energy: -203.456 flat angles P-C4'-P energy: -114.797 tors. eta vs tors. theta energy: -229.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2627.346114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.346114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.346114 (E_RNA) where: Base-Base interactions energy: -1708.723 where: short stacking energy: -825.903 Base-Backbone interact. energy: -2.608 local terms energy: -916.015481 where: bonds (distance) C4'-P energy: -174.982 bonds (distance) P-C4' energy: -185.120 flat angles C4'-P-C4' energy: -194.093 flat angles P-C4'-P energy: -129.831 tors. eta vs tors. theta energy: -231.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2454.664962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.664962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.664962 (E_RNA) where: Base-Base interactions energy: -1634.931 where: short stacking energy: -755.940 Base-Backbone interact. energy: -5.661 local terms energy: -814.072647 where: bonds (distance) C4'-P energy: -162.183 bonds (distance) P-C4' energy: -167.655 flat angles C4'-P-C4' energy: -170.833 flat angles P-C4'-P energy: -124.320 tors. eta vs tors. theta energy: -189.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1992.231731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.231731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.231731 (E_RNA) where: Base-Base interactions energy: -1218.629 where: short stacking energy: -617.073 Base-Backbone interact. energy: -1.904 local terms energy: -771.698788 where: bonds (distance) C4'-P energy: -167.961 bonds (distance) P-C4' energy: -153.965 flat angles C4'-P-C4' energy: -182.293 flat angles P-C4'-P energy: -127.962 tors. eta vs tors. theta energy: -139.517 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: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1861.688332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.688332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.688332 (E_RNA) where: Base-Base interactions energy: -1130.646 where: short stacking energy: -578.227 Base-Backbone interact. energy: -0.808 local terms energy: -730.234289 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -178.196 flat angles C4'-P-C4' energy: -169.163 flat angles P-C4'-P energy: -120.532 tors. eta vs tors. theta energy: -124.328 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: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1590.705327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.705327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.705327 (E_RNA) where: Base-Base interactions energy: -928.002 where: short stacking energy: -469.187 Base-Backbone interact. energy: -2.450 local terms energy: -660.252549 where: bonds (distance) C4'-P energy: -168.667 bonds (distance) P-C4' energy: -165.196 flat angles C4'-P-C4' energy: -145.284 flat angles P-C4'-P energy: -89.403 tors. eta vs tors. theta energy: -91.704 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: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1435.056782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.056782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.056782 (E_RNA) where: Base-Base interactions energy: -825.511 where: short stacking energy: -395.388 Base-Backbone interact. energy: 2.098 local terms energy: -611.644225 where: bonds (distance) C4'-P energy: -159.089 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -158.686 flat angles P-C4'-P energy: -82.366 tors. eta vs tors. theta energy: -65.558 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: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1007.356330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.356330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.356330 (E_RNA) where: Base-Base interactions energy: -483.804 where: short stacking energy: -313.605 Base-Backbone interact. energy: 0.011 local terms energy: -523.562943 where: bonds (distance) C4'-P energy: -156.110 bonds (distance) P-C4' energy: -140.531 flat angles C4'-P-C4' energy: -142.111 flat angles P-C4'-P energy: -68.169 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -854.812603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.812603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.812603 (E_RNA) where: Base-Base interactions energy: -358.744 where: short stacking energy: -242.586 Base-Backbone interact. energy: 4.618 local terms energy: -500.686494 where: bonds (distance) C4'-P energy: -156.175 bonds (distance) P-C4' energy: -177.329 flat angles C4'-P-C4' energy: -115.827 flat angles P-C4'-P energy: -70.772 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: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2870.974884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.974884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.974884 (E_RNA) where: Base-Base interactions energy: -1913.464 where: short stacking energy: -896.986 Base-Backbone interact. energy: -1.881 local terms energy: -955.629531 where: bonds (distance) C4'-P energy: -171.943 bonds (distance) P-C4' energy: -178.932 flat angles C4'-P-C4' energy: -209.751 flat angles P-C4'-P energy: -138.999 tors. eta vs tors. theta energy: -256.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2759.426479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.426479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.426479 (E_RNA) where: Base-Base interactions energy: -1795.461 where: short stacking energy: -855.567 Base-Backbone interact. energy: -4.370 local terms energy: -959.595078 where: bonds (distance) C4'-P energy: -171.049 bonds (distance) P-C4' energy: -188.455 flat angles C4'-P-C4' energy: -207.550 flat angles P-C4'-P energy: -150.900 tors. eta vs tors. theta energy: -241.640 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: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2534.857186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.857186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.857186 (E_RNA) where: Base-Base interactions energy: -1659.578 where: short stacking energy: -785.745 Base-Backbone interact. energy: -3.317 local terms energy: -871.962151 where: bonds (distance) C4'-P energy: -156.200 bonds (distance) P-C4' energy: -188.938 flat angles C4'-P-C4' energy: -192.810 flat angles P-C4'-P energy: -127.526 tors. eta vs tors. theta energy: -206.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2495.740037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.740037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.740037 (E_RNA) where: Base-Base interactions energy: -1647.233 where: short stacking energy: -765.035 Base-Backbone interact. energy: 1.832 local terms energy: -850.338821 where: bonds (distance) C4'-P energy: -160.285 bonds (distance) P-C4' energy: -165.773 flat angles C4'-P-C4' energy: -203.409 flat angles P-C4'-P energy: -116.068 tors. eta vs tors. theta energy: -204.804 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: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2116.414222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.414222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.414222 (E_RNA) where: Base-Base interactions energy: -1351.756 where: short stacking energy: -657.727 Base-Backbone interact. energy: 0.507 local terms energy: -765.165279 where: bonds (distance) C4'-P energy: -165.474 bonds (distance) P-C4' energy: -161.355 flat angles C4'-P-C4' energy: -158.949 flat angles P-C4'-P energy: -104.256 tors. eta vs tors. theta energy: -175.132 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: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1847.200386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.200386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.200386 (E_RNA) where: Base-Base interactions energy: -1148.922 where: short stacking energy: -568.262 Base-Backbone interact. energy: -0.573 local terms energy: -697.704795 where: bonds (distance) C4'-P energy: -152.829 bonds (distance) P-C4' energy: -169.359 flat angles C4'-P-C4' energy: -164.133 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -109.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1611.022356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.022356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.022356 (E_RNA) where: Base-Base interactions energy: -924.088 where: short stacking energy: -505.379 Base-Backbone interact. energy: 1.260 local terms energy: -688.195048 where: bonds (distance) C4'-P energy: -155.888 bonds (distance) P-C4' energy: -152.011 flat angles C4'-P-C4' energy: -165.246 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -109.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1486.295775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.295775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.295775 (E_RNA) where: Base-Base interactions energy: -872.509 where: short stacking energy: -438.347 Base-Backbone interact. energy: -2.721 local terms energy: -611.064960 where: bonds (distance) C4'-P energy: -144.428 bonds (distance) P-C4' energy: -156.905 flat angles C4'-P-C4' energy: -163.712 flat angles P-C4'-P energy: -78.099 tors. eta vs tors. theta energy: -67.920 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: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1001.343957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.343957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.343957 (E_RNA) where: Base-Base interactions energy: -481.138 where: short stacking energy: -309.010 Base-Backbone interact. energy: -2.300 local terms energy: -517.906146 where: bonds (distance) C4'-P energy: -125.919 bonds (distance) P-C4' energy: -174.790 flat angles C4'-P-C4' energy: -157.640 flat angles P-C4'-P energy: -55.836 tors. eta vs tors. theta energy: -3.721 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: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -941.966681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.966681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.966681 (E_RNA) where: Base-Base interactions energy: -480.564 where: short stacking energy: -316.592 Base-Backbone interact. energy: -0.717 local terms energy: -460.685704 where: bonds (distance) C4'-P energy: -120.693 bonds (distance) P-C4' energy: -149.184 flat angles C4'-P-C4' energy: -106.090 flat angles P-C4'-P energy: -79.687 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2893.339284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.339284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.339284 (E_RNA) where: Base-Base interactions energy: -1957.647 where: short stacking energy: -911.337 Base-Backbone interact. energy: -3.542 local terms energy: -932.149724 where: bonds (distance) C4'-P energy: -167.164 bonds (distance) P-C4' energy: -195.522 flat angles C4'-P-C4' energy: -207.958 flat angles P-C4'-P energy: -110.839 tors. eta vs tors. theta energy: -250.666 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: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2803.557391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.557391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.557391 (E_RNA) where: Base-Base interactions energy: -1905.807 where: short stacking energy: -890.505 Base-Backbone interact. energy: -2.095 local terms energy: -895.655165 where: bonds (distance) C4'-P energy: -169.969 bonds (distance) P-C4' energy: -149.298 flat angles C4'-P-C4' energy: -197.261 flat angles P-C4'-P energy: -131.938 tors. eta vs tors. theta energy: -247.190 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: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2524.353908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.353908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.353908 (E_RNA) where: Base-Base interactions energy: -1677.126 where: short stacking energy: -778.569 Base-Backbone interact. energy: 1.005 local terms energy: -848.232568 where: bonds (distance) C4'-P energy: -166.126 bonds (distance) P-C4' energy: -170.045 flat angles C4'-P-C4' energy: -193.249 flat angles P-C4'-P energy: -116.286 tors. eta vs tors. theta energy: -202.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2483.834011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.834011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.834011 (E_RNA) where: Base-Base interactions energy: -1615.230 where: short stacking energy: -759.900 Base-Backbone interact. energy: -4.158 local terms energy: -864.445940 where: bonds (distance) C4'-P energy: -163.332 bonds (distance) P-C4' energy: -179.704 flat angles C4'-P-C4' energy: -179.831 flat angles P-C4'-P energy: -131.110 tors. eta vs tors. theta energy: -210.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2120.683895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.683895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.683895 (E_RNA) where: Base-Base interactions energy: -1345.046 where: short stacking energy: -651.532 Base-Backbone interact. energy: -1.559 local terms energy: -774.079204 where: bonds (distance) C4'-P energy: -163.786 bonds (distance) P-C4' energy: -173.923 flat angles C4'-P-C4' energy: -177.215 flat angles P-C4'-P energy: -92.537 tors. eta vs tors. theta energy: -166.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1814.875756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.875756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.875756 (E_RNA) where: Base-Base interactions energy: -1106.516 where: short stacking energy: -556.626 Base-Backbone interact. energy: -1.881 local terms energy: -706.478305 where: bonds (distance) C4'-P energy: -157.498 bonds (distance) P-C4' energy: -155.890 flat angles C4'-P-C4' energy: -171.006 flat angles P-C4'-P energy: -106.713 tors. eta vs tors. theta energy: -115.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1602.171983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.171983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.171983 (E_RNA) where: Base-Base interactions energy: -904.726 where: short stacking energy: -472.778 Base-Backbone interact. energy: 0.527 local terms energy: -697.972863 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -160.384 flat angles C4'-P-C4' energy: -187.081 flat angles P-C4'-P energy: -98.211 tors. eta vs tors. theta energy: -105.726 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: 66 Temperature: 1.250000 Total energy: -1444.149952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.149952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.149952 (E_RNA) where: Base-Base interactions energy: -857.211 where: short stacking energy: -430.746 Base-Backbone interact. energy: 1.198 local terms energy: -588.136303 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -176.219 flat angles C4'-P-C4' energy: -158.126 flat angles P-C4'-P energy: -93.344 tors. eta vs tors. theta energy: -55.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -951.956018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.956018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.956018 (E_RNA) where: Base-Base interactions energy: -454.585 where: short stacking energy: -269.463 Base-Backbone interact. energy: 1.014 local terms energy: -498.385179 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -142.965 flat angles C4'-P-C4' energy: -139.508 flat angles P-C4'-P energy: -75.111 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -930.008456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.008456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.008456 (E_RNA) where: Base-Base interactions energy: -428.445 where: short stacking energy: -270.469 Base-Backbone interact. energy: 1.715 local terms energy: -503.279023 where: bonds (distance) C4'-P energy: -148.039 bonds (distance) P-C4' energy: -167.516 flat angles C4'-P-C4' energy: -131.884 flat angles P-C4'-P energy: -55.467 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2906.469718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.469718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.469718 (E_RNA) where: Base-Base interactions energy: -1961.148 where: short stacking energy: -908.288 Base-Backbone interact. energy: -4.370 local terms energy: -940.951495 where: bonds (distance) C4'-P energy: -173.296 bonds (distance) P-C4' energy: -175.924 flat angles C4'-P-C4' energy: -211.067 flat angles P-C4'-P energy: -128.221 tors. eta vs tors. theta energy: -252.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2795.743249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.743249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.743249 (E_RNA) where: Base-Base interactions energy: -1834.380 where: short stacking energy: -863.970 Base-Backbone interact. energy: -1.087 local terms energy: -960.276506 where: bonds (distance) C4'-P energy: -171.965 bonds (distance) P-C4' energy: -186.317 flat angles C4'-P-C4' energy: -221.526 flat angles P-C4'-P energy: -131.382 tors. eta vs tors. theta energy: -249.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2565.946848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.946848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.946848 (E_RNA) where: Base-Base interactions energy: -1700.792 where: short stacking energy: -794.719 Base-Backbone interact. energy: -1.035 local terms energy: -864.119570 where: bonds (distance) C4'-P energy: -163.510 bonds (distance) P-C4' energy: -187.296 flat angles C4'-P-C4' energy: -182.045 flat angles P-C4'-P energy: -116.890 tors. eta vs tors. theta energy: -214.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2415.889954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.889954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.889954 (E_RNA) where: Base-Base interactions energy: -1582.043 where: short stacking energy: -734.614 Base-Backbone interact. energy: -3.770 local terms energy: -830.076752 where: bonds (distance) C4'-P energy: -162.095 bonds (distance) P-C4' energy: -170.768 flat angles C4'-P-C4' energy: -193.509 flat angles P-C4'-P energy: -109.848 tors. eta vs tors. theta energy: -193.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2123.940986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.940986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.940986 (E_RNA) where: Base-Base interactions energy: -1327.647 where: short stacking energy: -677.420 Base-Backbone interact. energy: 0.536 local terms energy: -796.830358 where: bonds (distance) C4'-P energy: -151.364 bonds (distance) P-C4' energy: -173.847 flat angles C4'-P-C4' energy: -187.158 flat angles P-C4'-P energy: -106.327 tors. eta vs tors. theta energy: -178.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1729.005937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.005937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.005937 (E_RNA) where: Base-Base interactions energy: -1023.241 where: short stacking energy: -485.089 Base-Backbone interact. energy: 5.170 local terms energy: -710.935506 where: bonds (distance) C4'-P energy: -159.175 bonds (distance) P-C4' energy: -180.556 flat angles C4'-P-C4' energy: -173.355 flat angles P-C4'-P energy: -105.371 tors. eta vs tors. theta energy: -92.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1646.197794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.197794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.197794 (E_RNA) where: Base-Base interactions energy: -956.826 where: short stacking energy: -510.426 Base-Backbone interact. energy: 0.979 local terms energy: -690.351055 where: bonds (distance) C4'-P energy: -146.099 bonds (distance) P-C4' energy: -172.308 flat angles C4'-P-C4' energy: -155.363 flat angles P-C4'-P energy: -112.294 tors. eta vs tors. theta energy: -104.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1426.581514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.581514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.581514 (E_RNA) where: Base-Base interactions energy: -836.272 where: short stacking energy: -421.873 Base-Backbone interact. energy: 0.186 local terms energy: -590.495841 where: bonds (distance) C4'-P energy: -147.209 bonds (distance) P-C4' energy: -153.444 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -65.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -950.088704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.088704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.088704 (E_RNA) where: Base-Base interactions energy: -489.860 where: short stacking energy: -303.943 Base-Backbone interact. energy: 3.391 local terms energy: -463.620147 where: bonds (distance) C4'-P energy: -123.513 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -128.485 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -15.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -899.937307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.937307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.937307 (E_RNA) where: Base-Base interactions energy: -412.563 where: short stacking energy: -244.766 Base-Backbone interact. energy: 5.698 local terms energy: -493.072682 where: bonds (distance) C4'-P energy: -150.094 bonds (distance) P-C4' energy: -139.276 flat angles C4'-P-C4' energy: -145.637 flat angles P-C4'-P energy: -68.016 tors. eta vs tors. theta energy: 9.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2884.474060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.474060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.474060 (E_RNA) where: Base-Base interactions energy: -1924.876 where: short stacking energy: -895.434 Base-Backbone interact. energy: 2.812 local terms energy: -962.410075 where: bonds (distance) C4'-P energy: -179.088 bonds (distance) P-C4' energy: -181.697 flat angles C4'-P-C4' energy: -206.138 flat angles P-C4'-P energy: -144.479 tors. eta vs tors. theta energy: -251.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2833.768731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.768731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.768731 (E_RNA) where: Base-Base interactions energy: -1853.731 where: short stacking energy: -867.700 Base-Backbone interact. energy: -3.159 local terms energy: -976.878972 where: bonds (distance) C4'-P energy: -181.982 bonds (distance) P-C4' energy: -185.190 flat angles C4'-P-C4' energy: -197.887 flat angles P-C4'-P energy: -147.720 tors. eta vs tors. theta energy: -264.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2546.062711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.062711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.062711 (E_RNA) where: Base-Base interactions energy: -1659.322 where: short stacking energy: -773.593 Base-Backbone interact. energy: -0.582 local terms energy: -886.158179 where: bonds (distance) C4'-P energy: -186.866 bonds (distance) P-C4' energy: -189.463 flat angles C4'-P-C4' energy: -192.296 flat angles P-C4'-P energy: -107.256 tors. eta vs tors. theta energy: -210.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2382.704883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.704883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.704883 (E_RNA) where: Base-Base interactions energy: -1539.843 where: short stacking energy: -746.265 Base-Backbone interact. energy: -3.665 local terms energy: -839.196399 where: bonds (distance) C4'-P energy: -153.374 bonds (distance) P-C4' energy: -183.975 flat angles C4'-P-C4' energy: -193.338 flat angles P-C4'-P energy: -118.683 tors. eta vs tors. theta energy: -189.827 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2130.537395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.537395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.537395 (E_RNA) where: Base-Base interactions energy: -1333.230 where: short stacking energy: -684.045 Base-Backbone interact. energy: -1.363 local terms energy: -795.944222 where: bonds (distance) C4'-P energy: -145.582 bonds (distance) P-C4' energy: -183.166 flat angles C4'-P-C4' energy: -171.747 flat angles P-C4'-P energy: -115.419 tors. eta vs tors. theta energy: -180.029 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: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1764.363484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.363484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.363484 (E_RNA) where: Base-Base interactions energy: -1048.247 where: short stacking energy: -512.973 Base-Backbone interact. energy: -2.428 local terms energy: -713.688580 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -168.054 flat angles C4'-P-C4' energy: -182.161 flat angles P-C4'-P energy: -115.750 tors. eta vs tors. theta energy: -114.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1642.536643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.536643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.536643 (E_RNA) where: Base-Base interactions energy: -970.612 where: short stacking energy: -499.079 Base-Backbone interact. energy: -1.775 local terms energy: -670.149804 where: bonds (distance) C4'-P energy: -153.767 bonds (distance) P-C4' energy: -162.959 flat angles C4'-P-C4' energy: -145.117 flat angles P-C4'-P energy: -92.940 tors. eta vs tors. theta energy: -115.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1409.166030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.166030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.166030 (E_RNA) where: Base-Base interactions energy: -768.836 where: short stacking energy: -408.405 Base-Backbone interact. energy: -3.603 local terms energy: -636.726252 where: bonds (distance) C4'-P energy: -145.833 bonds (distance) P-C4' energy: -160.633 flat angles C4'-P-C4' energy: -173.285 flat angles P-C4'-P energy: -90.831 tors. eta vs tors. theta energy: -66.144 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: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -975.481383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.481383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.481383 (E_RNA) where: Base-Base interactions energy: -483.667 where: short stacking energy: -276.196 Base-Backbone interact. energy: -3.493 local terms energy: -488.321560 where: bonds (distance) C4'-P energy: -142.574 bonds (distance) P-C4' energy: -155.466 flat angles C4'-P-C4' energy: -132.256 flat angles P-C4'-P energy: -60.442 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: 10, replica: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -911.908174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.908174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.908174 (E_RNA) where: Base-Base interactions energy: -478.885 where: short stacking energy: -271.069 Base-Backbone interact. energy: 2.236 local terms energy: -435.259775 where: bonds (distance) C4'-P energy: -130.076 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -103.429 flat angles P-C4'-P energy: -78.451 tors. eta vs tors. theta energy: 17.560 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: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2884.875401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.875401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.875401 (E_RNA) where: Base-Base interactions energy: -1925.980 where: short stacking energy: -871.047 Base-Backbone interact. energy: -2.285 local terms energy: -956.610311 where: bonds (distance) C4'-P energy: -174.800 bonds (distance) P-C4' energy: -186.347 flat angles C4'-P-C4' energy: -207.342 flat angles P-C4'-P energy: -141.413 tors. eta vs tors. theta energy: -246.708 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: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2835.763192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.763192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.763192 (E_RNA) where: Base-Base interactions energy: -1903.979 where: short stacking energy: -889.292 Base-Backbone interact. energy: -1.057 local terms energy: -930.726881 where: bonds (distance) C4'-P energy: -169.568 bonds (distance) P-C4' energy: -174.922 flat angles C4'-P-C4' energy: -198.846 flat angles P-C4'-P energy: -137.996 tors. eta vs tors. theta energy: -249.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2634.858036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.858036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.858036 (E_RNA) where: Base-Base interactions energy: -1744.263 where: short stacking energy: -800.009 Base-Backbone interact. energy: 0.343 local terms energy: -890.937399 where: bonds (distance) C4'-P energy: -169.458 bonds (distance) P-C4' energy: -188.453 flat angles C4'-P-C4' energy: -189.589 flat angles P-C4'-P energy: -122.001 tors. eta vs tors. theta energy: -221.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2389.780661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.780661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.780661 (E_RNA) where: Base-Base interactions energy: -1531.152 where: short stacking energy: -723.465 Base-Backbone interact. energy: -1.440 local terms energy: -857.188670 where: bonds (distance) C4'-P energy: -167.606 bonds (distance) P-C4' energy: -194.819 flat angles C4'-P-C4' energy: -187.577 flat angles P-C4'-P energy: -110.720 tors. eta vs tors. theta energy: -196.466 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2097.873623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.873623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.873623 (E_RNA) where: Base-Base interactions energy: -1297.492 where: short stacking energy: -654.862 Base-Backbone interact. energy: 1.609 local terms energy: -801.990722 where: bonds (distance) C4'-P energy: -175.913 bonds (distance) P-C4' energy: -156.068 flat angles C4'-P-C4' energy: -171.866 flat angles P-C4'-P energy: -126.479 tors. eta vs tors. theta energy: -171.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1744.436582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.436582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.436582 (E_RNA) where: Base-Base interactions energy: -1038.208 where: short stacking energy: -573.757 Base-Backbone interact. energy: 2.382 local terms energy: -708.609939 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -153.399 flat angles C4'-P-C4' energy: -161.846 flat angles P-C4'-P energy: -100.026 tors. eta vs tors. theta energy: -144.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1649.318647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.318647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.318647 (E_RNA) where: Base-Base interactions energy: -1002.414 where: short stacking energy: -502.574 Base-Backbone interact. energy: 0.931 local terms energy: -647.835179 where: bonds (distance) C4'-P energy: -160.263 bonds (distance) P-C4' energy: -161.725 flat angles C4'-P-C4' energy: -160.730 flat angles P-C4'-P energy: -81.827 tors. eta vs tors. theta energy: -83.290 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: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1464.150014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.150014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.150014 (E_RNA) where: Base-Base interactions energy: -867.633 where: short stacking energy: -437.525 Base-Backbone interact. energy: 1.525 local terms energy: -598.041928 where: bonds (distance) C4'-P energy: -139.397 bonds (distance) P-C4' energy: -161.637 flat angles C4'-P-C4' energy: -151.669 flat angles P-C4'-P energy: -91.238 tors. eta vs tors. theta energy: -54.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -968.351106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.351106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.351106 (E_RNA) where: Base-Base interactions energy: -456.439 where: short stacking energy: -275.284 Base-Backbone interact. energy: -3.190 local terms energy: -508.722033 where: bonds (distance) C4'-P energy: -134.568 bonds (distance) P-C4' energy: -159.295 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -71.340 tors. eta vs tors. theta energy: -25.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -913.466861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.466861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.466861 (E_RNA) where: Base-Base interactions energy: -417.269 where: short stacking energy: -253.882 Base-Backbone interact. energy: 1.519 local terms energy: -497.717333 where: bonds (distance) C4'-P energy: -172.820 bonds (distance) P-C4' energy: -151.849 flat angles C4'-P-C4' energy: -126.978 flat angles P-C4'-P energy: -37.944 tors. eta vs tors. theta energy: -8.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2886.566643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.566643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.566643 (E_RNA) where: Base-Base interactions energy: -1943.683 where: short stacking energy: -879.794 Base-Backbone interact. energy: -1.850 local terms energy: -941.033462 where: bonds (distance) C4'-P energy: -189.369 bonds (distance) P-C4' energy: -170.547 flat angles C4'-P-C4' energy: -213.491 flat angles P-C4'-P energy: -127.404 tors. eta vs tors. theta energy: -240.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2832.489673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.489673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.489673 (E_RNA) where: Base-Base interactions energy: -1884.838 where: short stacking energy: -897.430 Base-Backbone interact. energy: -2.972 local terms energy: -944.680069 where: bonds (distance) C4'-P energy: -154.317 bonds (distance) P-C4' energy: -166.544 flat angles C4'-P-C4' energy: -219.861 flat angles P-C4'-P energy: -140.364 tors. eta vs tors. theta energy: -263.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2572.273625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.273625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.273625 (E_RNA) where: Base-Base interactions energy: -1683.737 where: short stacking energy: -792.504 Base-Backbone interact. energy: -4.046 local terms energy: -884.490686 where: bonds (distance) C4'-P energy: -178.721 bonds (distance) P-C4' energy: -175.442 flat angles C4'-P-C4' energy: -190.547 flat angles P-C4'-P energy: -124.243 tors. eta vs tors. theta energy: -215.537 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: 70 Temperature: 1.050000 Total energy: -2428.407893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.407893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.407893 (E_RNA) where: Base-Base interactions energy: -1584.779 where: short stacking energy: -750.666 Base-Backbone interact. energy: -4.050 local terms energy: -839.578741 where: bonds (distance) C4'-P energy: -177.905 bonds (distance) P-C4' energy: -166.449 flat angles C4'-P-C4' energy: -188.064 flat angles P-C4'-P energy: -108.272 tors. eta vs tors. theta energy: -198.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2052.177298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.177298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.177298 (E_RNA) where: Base-Base interactions energy: -1269.752 where: short stacking energy: -637.887 Base-Backbone interact. energy: 2.924 local terms energy: -785.348522 where: bonds (distance) C4'-P energy: -143.560 bonds (distance) P-C4' energy: -183.382 flat angles C4'-P-C4' energy: -182.904 flat angles P-C4'-P energy: -120.930 tors. eta vs tors. theta energy: -154.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1658.878366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.878366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.878366 (E_RNA) where: Base-Base interactions energy: -983.537 where: short stacking energy: -529.552 Base-Backbone interact. energy: 0.513 local terms energy: -675.853919 where: bonds (distance) C4'-P energy: -147.798 bonds (distance) P-C4' energy: -161.953 flat angles C4'-P-C4' energy: -161.311 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -116.576 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: 70 Temperature: 1.200000 Total energy: -1637.945647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.945647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.945647 (E_RNA) where: Base-Base interactions energy: -1005.775 where: short stacking energy: -523.576 Base-Backbone interact. energy: -0.504 local terms energy: -631.666019 where: bonds (distance) C4'-P energy: -140.257 bonds (distance) P-C4' energy: -146.292 flat angles C4'-P-C4' energy: -148.261 flat angles P-C4'-P energy: -107.529 tors. eta vs tors. theta energy: -89.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1459.762705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.762705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.762705 (E_RNA) where: Base-Base interactions energy: -872.650 where: short stacking energy: -468.461 Base-Backbone interact. energy: 1.914 local terms energy: -589.026425 where: bonds (distance) C4'-P energy: -132.559 bonds (distance) P-C4' energy: -157.824 flat angles C4'-P-C4' energy: -136.211 flat angles P-C4'-P energy: -89.248 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: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -965.071989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.071989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.071989 (E_RNA) where: Base-Base interactions energy: -443.909 where: short stacking energy: -267.082 Base-Backbone interact. energy: 2.582 local terms energy: -523.744582 where: bonds (distance) C4'-P energy: -146.261 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -90.970 tors. eta vs tors. theta energy: 1.840 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: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -905.704420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.704420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.704420 (E_RNA) where: Base-Base interactions energy: -431.035 where: short stacking energy: -243.807 Base-Backbone interact. energy: -0.118 local terms energy: -474.551423 where: bonds (distance) C4'-P energy: -131.476 bonds (distance) P-C4' energy: -151.621 flat angles C4'-P-C4' energy: -123.261 flat angles P-C4'-P energy: -87.868 tors. eta vs tors. theta energy: 19.675 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: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2870.257782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.257782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.257782 (E_RNA) where: Base-Base interactions energy: -1938.390 where: short stacking energy: -864.750 Base-Backbone interact. energy: -1.691 local terms energy: -930.176952 where: bonds (distance) C4'-P energy: -172.748 bonds (distance) P-C4' energy: -182.176 flat angles C4'-P-C4' energy: -213.781 flat angles P-C4'-P energy: -138.521 tors. eta vs tors. theta energy: -222.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2873.594334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.594334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.594334 (E_RNA) where: Base-Base interactions energy: -1921.886 where: short stacking energy: -917.242 Base-Backbone interact. energy: -3.146 local terms energy: -948.563091 where: bonds (distance) C4'-P energy: -172.420 bonds (distance) P-C4' energy: -185.380 flat angles C4'-P-C4' energy: -184.448 flat angles P-C4'-P energy: -133.161 tors. eta vs tors. theta energy: -273.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2638.593403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.593403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.593403 (E_RNA) where: Base-Base interactions energy: -1764.091 where: short stacking energy: -806.798 Base-Backbone interact. energy: -1.178 local terms energy: -873.324722 where: bonds (distance) C4'-P energy: -159.992 bonds (distance) P-C4' energy: -177.104 flat angles C4'-P-C4' energy: -176.040 flat angles P-C4'-P energy: -137.751 tors. eta vs tors. theta energy: -222.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2437.657810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.657810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.657810 (E_RNA) where: Base-Base interactions energy: -1578.120 where: short stacking energy: -743.138 Base-Backbone interact. energy: 1.369 local terms energy: -860.906494 where: bonds (distance) C4'-P energy: -172.541 bonds (distance) P-C4' energy: -175.507 flat angles C4'-P-C4' energy: -175.297 flat angles P-C4'-P energy: -135.127 tors. eta vs tors. theta energy: -202.435 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: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2096.700944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.700944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.700944 (E_RNA) where: Base-Base interactions energy: -1316.678 where: short stacking energy: -655.906 Base-Backbone interact. energy: -5.480 local terms energy: -774.542999 where: bonds (distance) C4'-P energy: -143.114 bonds (distance) P-C4' energy: -178.268 flat angles C4'-P-C4' energy: -171.286 flat angles P-C4'-P energy: -109.092 tors. eta vs tors. theta energy: -172.782 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: 71 Temperature: 1.150000 Total energy: -1714.265952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.265952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.265952 (E_RNA) where: Base-Base interactions energy: -995.731 where: short stacking energy: -509.215 Base-Backbone interact. energy: -0.014 local terms energy: -718.521828 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -176.524 flat angles C4'-P-C4' energy: -175.920 flat angles P-C4'-P energy: -110.976 tors. eta vs tors. theta energy: -113.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1641.176977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.176977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.176977 (E_RNA) where: Base-Base interactions energy: -993.465 where: short stacking energy: -511.974 Base-Backbone interact. energy: 2.581 local terms energy: -650.292967 where: bonds (distance) C4'-P energy: -150.619 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -168.473 flat angles P-C4'-P energy: -85.652 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: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1443.917106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.917106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.917106 (E_RNA) where: Base-Base interactions energy: -873.057 where: short stacking energy: -455.198 Base-Backbone interact. energy: 6.316 local terms energy: -577.176030 where: bonds (distance) C4'-P energy: -135.656 bonds (distance) P-C4' energy: -157.262 flat angles C4'-P-C4' energy: -130.435 flat angles P-C4'-P energy: -74.331 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: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1039.820131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.820131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.820131 (E_RNA) where: Base-Base interactions energy: -527.753 where: short stacking energy: -290.436 Base-Backbone interact. energy: 2.632 local terms energy: -514.699116 where: bonds (distance) C4'-P energy: -146.906 bonds (distance) P-C4' energy: -173.670 flat angles C4'-P-C4' energy: -114.868 flat angles P-C4'-P energy: -72.585 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -922.767540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.767540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.767540 (E_RNA) where: Base-Base interactions energy: -415.603 where: short stacking energy: -260.131 Base-Backbone interact. energy: 4.745 local terms energy: -511.909741 where: bonds (distance) C4'-P energy: -163.457 bonds (distance) P-C4' energy: -153.931 flat angles C4'-P-C4' energy: -129.431 flat angles P-C4'-P energy: -76.886 tors. eta vs tors. theta energy: 11.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2987.723774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.723774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.723774 (E_RNA) where: Base-Base interactions energy: -2011.518 where: short stacking energy: -919.034 Base-Backbone interact. energy: -4.495 local terms energy: -971.711415 where: bonds (distance) C4'-P energy: -162.894 bonds (distance) P-C4' energy: -184.774 flat angles C4'-P-C4' energy: -214.374 flat angles P-C4'-P energy: -136.720 tors. eta vs tors. theta energy: -272.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2802.223763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.223763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.223763 (E_RNA) where: Base-Base interactions energy: -1897.320 where: short stacking energy: -846.212 Base-Backbone interact. energy: -3.820 local terms energy: -901.083756 where: bonds (distance) C4'-P energy: -173.857 bonds (distance) P-C4' energy: -172.089 flat angles C4'-P-C4' energy: -206.548 flat angles P-C4'-P energy: -120.577 tors. eta vs tors. theta energy: -228.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2595.740266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.740266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.740266 (E_RNA) where: Base-Base interactions energy: -1721.378 where: short stacking energy: -795.258 Base-Backbone interact. energy: -3.128 local terms energy: -871.234202 where: bonds (distance) C4'-P energy: -172.983 bonds (distance) P-C4' energy: -168.859 flat angles C4'-P-C4' energy: -198.149 flat angles P-C4'-P energy: -119.454 tors. eta vs tors. theta energy: -211.790 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: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2443.786516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.786516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.786516 (E_RNA) where: Base-Base interactions energy: -1622.809 where: short stacking energy: -790.736 Base-Backbone interact. energy: 1.805 local terms energy: -822.782577 where: bonds (distance) C4'-P energy: -150.795 bonds (distance) P-C4' energy: -184.934 flat angles C4'-P-C4' energy: -159.429 flat angles P-C4'-P energy: -116.955 tors. eta vs tors. theta energy: -210.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2145.024060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.024060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.024060 (E_RNA) where: Base-Base interactions energy: -1338.019 where: short stacking energy: -666.916 Base-Backbone interact. energy: 4.453 local terms energy: -811.457651 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -193.566 flat angles C4'-P-C4' energy: -175.851 flat angles P-C4'-P energy: -118.801 tors. eta vs tors. theta energy: -176.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1744.985549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.985549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.985549 (E_RNA) where: Base-Base interactions energy: -1052.826 where: short stacking energy: -554.576 Base-Backbone interact. energy: -2.109 local terms energy: -690.050130 where: bonds (distance) C4'-P energy: -131.483 bonds (distance) P-C4' energy: -147.754 flat angles C4'-P-C4' energy: -185.090 flat angles P-C4'-P energy: -107.708 tors. eta vs tors. theta energy: -118.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1639.326121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.326121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.326121 (E_RNA) where: Base-Base interactions energy: -988.088 where: short stacking energy: -487.619 Base-Backbone interact. energy: -0.383 local terms energy: -650.855142 where: bonds (distance) C4'-P energy: -159.550 bonds (distance) P-C4' energy: -135.409 flat angles C4'-P-C4' energy: -151.511 flat angles P-C4'-P energy: -101.443 tors. eta vs tors. theta energy: -102.942 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: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1467.023630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.023630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.023630 (E_RNA) where: Base-Base interactions energy: -846.440 where: short stacking energy: -417.201 Base-Backbone interact. energy: -1.302 local terms energy: -619.281707 where: bonds (distance) C4'-P energy: -138.044 bonds (distance) P-C4' energy: -153.696 flat angles C4'-P-C4' energy: -152.801 flat angles P-C4'-P energy: -101.219 tors. eta vs tors. theta energy: -73.523 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: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1018.516538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.516538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.516538 (E_RNA) where: Base-Base interactions energy: -478.904 where: short stacking energy: -245.924 Base-Backbone interact. energy: -3.379 local terms energy: -536.233354 where: bonds (distance) C4'-P energy: -162.631 bonds (distance) P-C4' energy: -151.157 flat angles C4'-P-C4' energy: -147.068 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: 5.393 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: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -941.999701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.999701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.999701 (E_RNA) where: Base-Base interactions energy: -411.488 where: short stacking energy: -260.777 Base-Backbone interact. energy: -3.718 local terms energy: -526.794066 where: bonds (distance) C4'-P energy: -142.996 bonds (distance) P-C4' energy: -143.446 flat angles C4'-P-C4' energy: -146.313 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -19.129 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: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -3030.888926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.888926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.888926 (E_RNA) where: Base-Base interactions energy: -2014.190 where: short stacking energy: -967.314 Base-Backbone interact. energy: -4.085 local terms energy: -1012.614262 where: bonds (distance) C4'-P energy: -189.758 bonds (distance) P-C4' energy: -179.762 flat angles C4'-P-C4' energy: -208.537 flat angles P-C4'-P energy: -138.039 tors. eta vs tors. theta energy: -296.518 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: 73 Temperature: 0.950000 Total energy: -2839.269363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.269363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.269363 (E_RNA) where: Base-Base interactions energy: -1905.459 where: short stacking energy: -884.818 Base-Backbone interact. energy: 4.321 local terms energy: -938.131493 where: bonds (distance) C4'-P energy: -158.943 bonds (distance) P-C4' energy: -200.139 flat angles C4'-P-C4' energy: -193.028 flat angles P-C4'-P energy: -140.585 tors. eta vs tors. theta energy: -245.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2549.185163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.185163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.185163 (E_RNA) where: Base-Base interactions energy: -1684.961 where: short stacking energy: -784.156 Base-Backbone interact. energy: 3.825 local terms energy: -868.048964 where: bonds (distance) C4'-P energy: -176.591 bonds (distance) P-C4' energy: -186.030 flat angles C4'-P-C4' energy: -180.510 flat angles P-C4'-P energy: -120.206 tors. eta vs tors. theta energy: -204.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2397.917078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.917078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.917078 (E_RNA) where: Base-Base interactions energy: -1558.679 where: short stacking energy: -739.089 Base-Backbone interact. energy: -4.093 local terms energy: -835.145227 where: bonds (distance) C4'-P energy: -164.607 bonds (distance) P-C4' energy: -179.249 flat angles C4'-P-C4' energy: -191.718 flat angles P-C4'-P energy: -102.590 tors. eta vs tors. theta energy: -196.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2126.619607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.619607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.619607 (E_RNA) where: Base-Base interactions energy: -1325.196 where: short stacking energy: -657.134 Base-Backbone interact. energy: -8.365 local terms energy: -793.057977 where: bonds (distance) C4'-P energy: -167.600 bonds (distance) P-C4' energy: -172.791 flat angles C4'-P-C4' energy: -178.820 flat angles P-C4'-P energy: -106.103 tors. eta vs tors. theta energy: -167.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1764.324590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.324590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.324590 (E_RNA) where: Base-Base interactions energy: -1022.879 where: short stacking energy: -543.039 Base-Backbone interact. energy: 2.896 local terms energy: -744.342237 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -161.064 flat angles C4'-P-C4' energy: -176.432 flat angles P-C4'-P energy: -106.402 tors. eta vs tors. theta energy: -140.278 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: 73 Temperature: 1.200000 Total energy: -1662.381243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.381243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.381243 (E_RNA) where: Base-Base interactions energy: -1011.247 where: short stacking energy: -514.437 Base-Backbone interact. energy: -3.234 local terms energy: -647.900415 where: bonds (distance) C4'-P energy: -136.527 bonds (distance) P-C4' energy: -154.248 flat angles C4'-P-C4' energy: -154.522 flat angles P-C4'-P energy: -94.963 tors. eta vs tors. theta energy: -107.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1416.841556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.841556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.841556 (E_RNA) where: Base-Base interactions energy: -821.212 where: short stacking energy: -397.279 Base-Backbone interact. energy: -3.125 local terms energy: -592.504445 where: bonds (distance) C4'-P energy: -144.072 bonds (distance) P-C4' energy: -144.571 flat angles C4'-P-C4' energy: -144.287 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -58.256 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: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1035.081931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.081931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.081931 (E_RNA) where: Base-Base interactions energy: -533.973 where: short stacking energy: -288.808 Base-Backbone interact. energy: 2.092 local terms energy: -503.201229 where: bonds (distance) C4'-P energy: -123.984 bonds (distance) P-C4' energy: -152.318 flat angles C4'-P-C4' energy: -130.497 flat angles P-C4'-P energy: -87.604 tors. eta vs tors. theta energy: -8.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -906.335711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.335711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.335711 (E_RNA) where: Base-Base interactions energy: -434.412 where: short stacking energy: -262.099 Base-Backbone interact. energy: 1.373 local terms energy: -473.297424 where: bonds (distance) C4'-P energy: -129.318 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -133.529 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: 11.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2988.889312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.889312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.889312 (E_RNA) where: Base-Base interactions energy: -2004.578 where: short stacking energy: -950.691 Base-Backbone interact. energy: -0.335 local terms energy: -983.975827 where: bonds (distance) C4'-P energy: -164.184 bonds (distance) P-C4' energy: -195.184 flat angles C4'-P-C4' energy: -209.669 flat angles P-C4'-P energy: -136.514 tors. eta vs tors. theta energy: -278.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2786.368831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.368831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.368831 (E_RNA) where: Base-Base interactions energy: -1867.156 where: short stacking energy: -856.323 Base-Backbone interact. energy: -1.209 local terms energy: -918.003811 where: bonds (distance) C4'-P energy: -159.398 bonds (distance) P-C4' energy: -195.229 flat angles C4'-P-C4' energy: -200.521 flat angles P-C4'-P energy: -131.056 tors. eta vs tors. theta energy: -231.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2551.240252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.240252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.240252 (E_RNA) where: Base-Base interactions energy: -1688.725 where: short stacking energy: -801.059 Base-Backbone interact. energy: -6.867 local terms energy: -855.648619 where: bonds (distance) C4'-P energy: -191.759 bonds (distance) P-C4' energy: -170.999 flat angles C4'-P-C4' energy: -188.564 flat angles P-C4'-P energy: -106.680 tors. eta vs tors. theta energy: -197.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2369.643099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.643099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.643099 (E_RNA) where: Base-Base interactions energy: -1550.505 where: short stacking energy: -709.762 Base-Backbone interact. energy: -5.883 local terms energy: -813.255562 where: bonds (distance) C4'-P energy: -166.653 bonds (distance) P-C4' energy: -151.087 flat angles C4'-P-C4' energy: -178.368 flat angles P-C4'-P energy: -126.545 tors. eta vs tors. theta energy: -190.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2172.886564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.886564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.886564 (E_RNA) where: Base-Base interactions energy: -1392.537 where: short stacking energy: -678.861 Base-Backbone interact. energy: -0.269 local terms energy: -780.080279 where: bonds (distance) C4'-P energy: -171.530 bonds (distance) P-C4' energy: -187.103 flat angles C4'-P-C4' energy: -162.561 flat angles P-C4'-P energy: -88.830 tors. eta vs tors. theta energy: -170.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1743.636465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.636465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.636465 (E_RNA) where: Base-Base interactions energy: -1019.606 where: short stacking energy: -529.002 Base-Backbone interact. energy: 4.958 local terms energy: -728.988263 where: bonds (distance) C4'-P energy: -167.242 bonds (distance) P-C4' energy: -182.953 flat angles C4'-P-C4' energy: -156.882 flat angles P-C4'-P energy: -102.630 tors. eta vs tors. theta energy: -119.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1637.876049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.876049 (E_RNA) where: Base-Base interactions energy: -968.793 where: short stacking energy: -481.235 Base-Backbone interact. energy: -2.778 local terms energy: -666.305559 where: bonds (distance) C4'-P energy: -149.039 bonds (distance) P-C4' energy: -165.594 flat angles C4'-P-C4' energy: -170.087 flat angles P-C4'-P energy: -94.509 tors. eta vs tors. theta energy: -87.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1448.508193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.508193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.508193 (E_RNA) where: Base-Base interactions energy: -844.167 where: short stacking energy: -399.847 Base-Backbone interact. energy: 3.452 local terms energy: -607.793366 where: bonds (distance) C4'-P energy: -161.567 bonds (distance) P-C4' energy: -168.926 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -79.088 tors. eta vs tors. theta energy: -53.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1069.216323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.216323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.216323 (E_RNA) where: Base-Base interactions energy: -529.968 where: short stacking energy: -317.422 Base-Backbone interact. energy: -0.714 local terms energy: -538.533907 where: bonds (distance) C4'-P energy: -158.454 bonds (distance) P-C4' energy: -157.005 flat angles C4'-P-C4' energy: -124.963 flat angles P-C4'-P energy: -85.089 tors. eta vs tors. theta energy: -13.024 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: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -847.911322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.911322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.911322 (E_RNA) where: Base-Base interactions energy: -400.113 where: short stacking energy: -240.259 Base-Backbone interact. energy: 9.975 local terms energy: -457.773563 where: bonds (distance) C4'-P energy: -118.307 bonds (distance) P-C4' energy: -136.565 flat angles C4'-P-C4' energy: -120.470 flat angles P-C4'-P energy: -96.488 tors. eta vs tors. theta energy: 14.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -3002.355988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.355988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.355988 (E_RNA) where: Base-Base interactions energy: -2011.281 where: short stacking energy: -940.416 Base-Backbone interact. energy: -2.613 local terms energy: -988.461840 where: bonds (distance) C4'-P energy: -181.781 bonds (distance) P-C4' energy: -173.089 flat angles C4'-P-C4' energy: -215.256 flat angles P-C4'-P energy: -136.778 tors. eta vs tors. theta energy: -281.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2764.224093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.224093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.224093 (E_RNA) where: Base-Base interactions energy: -1852.135 where: short stacking energy: -852.786 Base-Backbone interact. energy: -3.621 local terms energy: -908.467648 where: bonds (distance) C4'-P energy: -150.758 bonds (distance) P-C4' energy: -188.963 flat angles C4'-P-C4' energy: -204.630 flat angles P-C4'-P energy: -130.320 tors. eta vs tors. theta energy: -233.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2550.117781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.117781 (E_RNA) where: Base-Base interactions energy: -1698.295 where: short stacking energy: -749.889 Base-Backbone interact. energy: -3.621 local terms energy: -848.201247 where: bonds (distance) C4'-P energy: -175.258 bonds (distance) P-C4' energy: -172.776 flat angles C4'-P-C4' energy: -178.365 flat angles P-C4'-P energy: -121.792 tors. eta vs tors. theta energy: -200.011 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: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2370.712844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.712844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.712844 (E_RNA) where: Base-Base interactions energy: -1554.370 where: short stacking energy: -704.822 Base-Backbone interact. energy: -2.409 local terms energy: -813.934284 where: bonds (distance) C4'-P energy: -167.059 bonds (distance) P-C4' energy: -172.569 flat angles C4'-P-C4' energy: -182.372 flat angles P-C4'-P energy: -107.733 tors. eta vs tors. theta energy: -184.201 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2113.822512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.822512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.822512 (E_RNA) where: Base-Base interactions energy: -1341.061 where: short stacking energy: -662.273 Base-Backbone interact. energy: -1.168 local terms energy: -771.593436 where: bonds (distance) C4'-P energy: -155.977 bonds (distance) P-C4' energy: -161.366 flat angles C4'-P-C4' energy: -169.965 flat angles P-C4'-P energy: -110.789 tors. eta vs tors. theta energy: -173.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1702.230344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.230344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.230344 (E_RNA) where: Base-Base interactions energy: -965.335 where: short stacking energy: -535.760 Base-Backbone interact. energy: 1.752 local terms energy: -738.647252 where: bonds (distance) C4'-P energy: -179.417 bonds (distance) P-C4' energy: -165.884 flat angles C4'-P-C4' energy: -172.833 flat angles P-C4'-P energy: -102.340 tors. eta vs tors. theta energy: -118.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1635.384124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.384124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.384124 (E_RNA) where: Base-Base interactions energy: -1006.402 where: short stacking energy: -509.591 Base-Backbone interact. energy: -1.261 local terms energy: -627.721439 where: bonds (distance) C4'-P energy: -139.262 bonds (distance) P-C4' energy: -160.808 flat angles C4'-P-C4' energy: -145.903 flat angles P-C4'-P energy: -100.283 tors. eta vs tors. theta energy: -81.466 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: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1378.130024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.130024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.130024 (E_RNA) where: Base-Base interactions energy: -783.122 where: short stacking energy: -411.735 Base-Backbone interact. energy: 1.089 local terms energy: -596.097556 where: bonds (distance) C4'-P energy: -166.296 bonds (distance) P-C4' energy: -150.835 flat angles C4'-P-C4' energy: -146.154 flat angles P-C4'-P energy: -68.449 tors. eta vs tors. theta energy: -64.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1063.208024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.208024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.208024 (E_RNA) where: Base-Base interactions energy: -505.415 where: short stacking energy: -318.090 Base-Backbone interact. energy: -4.578 local terms energy: -553.214837 where: bonds (distance) C4'-P energy: -148.100 bonds (distance) P-C4' energy: -173.001 flat angles C4'-P-C4' energy: -128.937 flat angles P-C4'-P energy: -84.985 tors. eta vs tors. theta energy: -18.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -839.991129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.991129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.991129 (E_RNA) where: Base-Base interactions energy: -391.917 where: short stacking energy: -225.805 Base-Backbone interact. energy: -4.570 local terms energy: -443.504110 where: bonds (distance) C4'-P energy: -147.662 bonds (distance) P-C4' energy: -126.767 flat angles C4'-P-C4' energy: -108.775 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: 24.985 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: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -3008.327162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.327162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.327162 (E_RNA) where: Base-Base interactions energy: -2026.800 where: short stacking energy: -960.442 Base-Backbone interact. energy: 2.008 local terms energy: -983.535347 where: bonds (distance) C4'-P energy: -186.533 bonds (distance) P-C4' energy: -188.624 flat angles C4'-P-C4' energy: -202.475 flat angles P-C4'-P energy: -129.922 tors. eta vs tors. theta energy: -275.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2754.698625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.698625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.698625 (E_RNA) where: Base-Base interactions energy: -1851.422 where: short stacking energy: -828.386 Base-Backbone interact. energy: -6.086 local terms energy: -897.190755 where: bonds (distance) C4'-P energy: -163.510 bonds (distance) P-C4' energy: -178.686 flat angles C4'-P-C4' energy: -194.321 flat angles P-C4'-P energy: -124.770 tors. eta vs tors. theta energy: -235.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2576.558553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.558553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.558553 (E_RNA) where: Base-Base interactions energy: -1697.660 where: short stacking energy: -779.076 Base-Backbone interact. energy: -0.814 local terms energy: -878.084181 where: bonds (distance) C4'-P energy: -191.569 bonds (distance) P-C4' energy: -181.697 flat angles C4'-P-C4' energy: -178.747 flat angles P-C4'-P energy: -124.970 tors. eta vs tors. theta energy: -201.101 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: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2483.543122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.543122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.543122 (E_RNA) where: Base-Base interactions energy: -1642.234 where: short stacking energy: -726.122 Base-Backbone interact. energy: -2.207 local terms energy: -839.101926 where: bonds (distance) C4'-P energy: -168.917 bonds (distance) P-C4' energy: -175.346 flat angles C4'-P-C4' energy: -191.045 flat angles P-C4'-P energy: -107.196 tors. eta vs tors. theta energy: -196.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2177.909069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.909069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.909069 (E_RNA) where: Base-Base interactions energy: -1404.068 where: short stacking energy: -655.377 Base-Backbone interact. energy: 1.958 local terms energy: -775.798222 where: bonds (distance) C4'-P energy: -159.377 bonds (distance) P-C4' energy: -172.013 flat angles C4'-P-C4' energy: -168.190 flat angles P-C4'-P energy: -119.548 tors. eta vs tors. theta energy: -156.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1798.046496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.046496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.046496 (E_RNA) where: Base-Base interactions energy: -1087.158 where: short stacking energy: -588.446 Base-Backbone interact. energy: 1.849 local terms energy: -712.736574 where: bonds (distance) C4'-P energy: -167.969 bonds (distance) P-C4' energy: -149.005 flat angles C4'-P-C4' energy: -161.442 flat angles P-C4'-P energy: -95.581 tors. eta vs tors. theta energy: -138.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1647.534550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.534550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.534550 (E_RNA) where: Base-Base interactions energy: -970.193 where: short stacking energy: -500.393 Base-Backbone interact. energy: -4.584 local terms energy: -672.758015 where: bonds (distance) C4'-P energy: -151.491 bonds (distance) P-C4' energy: -156.334 flat angles C4'-P-C4' energy: -174.569 flat angles P-C4'-P energy: -96.641 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: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1360.467197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.467197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.467197 (E_RNA) where: Base-Base interactions energy: -801.863 where: short stacking energy: -382.917 Base-Backbone interact. energy: 4.555 local terms energy: -563.159561 where: bonds (distance) C4'-P energy: -150.530 bonds (distance) P-C4' energy: -131.962 flat angles C4'-P-C4' energy: -139.263 flat angles P-C4'-P energy: -90.775 tors. eta vs tors. theta energy: -50.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1008.148201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.148201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.148201 (E_RNA) where: Base-Base interactions energy: -507.400 where: short stacking energy: -288.026 Base-Backbone interact. energy: -1.341 local terms energy: -499.407630 where: bonds (distance) C4'-P energy: -152.055 bonds (distance) P-C4' energy: -146.717 flat angles C4'-P-C4' energy: -142.749 flat angles P-C4'-P energy: -58.433 tors. eta vs tors. theta energy: 0.546 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: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -860.971081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.971081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.971081 (E_RNA) where: Base-Base interactions energy: -416.809 where: short stacking energy: -257.911 Base-Backbone interact. energy: 4.044 local terms energy: -448.206768 where: bonds (distance) C4'-P energy: -140.680 bonds (distance) P-C4' energy: -125.895 flat angles C4'-P-C4' energy: -137.319 flat angles P-C4'-P energy: -54.729 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: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2993.136801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.136801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.136801 (E_RNA) where: Base-Base interactions energy: -1976.876 where: short stacking energy: -932.513 Base-Backbone interact. energy: -4.388 local terms energy: -1011.873260 where: bonds (distance) C4'-P energy: -191.998 bonds (distance) P-C4' energy: -181.901 flat angles C4'-P-C4' energy: -212.369 flat angles P-C4'-P energy: -139.853 tors. eta vs tors. theta energy: -285.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2735.598933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.598933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.598933 (E_RNA) where: Base-Base interactions energy: -1829.919 where: short stacking energy: -836.673 Base-Backbone interact. energy: -2.733 local terms energy: -902.947556 where: bonds (distance) C4'-P energy: -168.238 bonds (distance) P-C4' energy: -172.563 flat angles C4'-P-C4' energy: -206.772 flat angles P-C4'-P energy: -127.413 tors. eta vs tors. theta energy: -227.962 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: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2637.559530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.559530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.559530 (E_RNA) where: Base-Base interactions energy: -1721.133 where: short stacking energy: -800.915 Base-Backbone interact. energy: -0.982 local terms energy: -915.444706 where: bonds (distance) C4'-P energy: -166.841 bonds (distance) P-C4' energy: -176.468 flat angles C4'-P-C4' energy: -215.681 flat angles P-C4'-P energy: -129.544 tors. eta vs tors. theta energy: -226.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2380.480274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.480274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.480274 (E_RNA) where: Base-Base interactions energy: -1554.798 where: short stacking energy: -747.074 Base-Backbone interact. energy: 3.834 local terms energy: -829.516889 where: bonds (distance) C4'-P energy: -164.907 bonds (distance) P-C4' energy: -157.271 flat angles C4'-P-C4' energy: -188.655 flat angles P-C4'-P energy: -105.353 tors. eta vs tors. theta energy: -213.331 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: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2256.452252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.452252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.452252 (E_RNA) where: Base-Base interactions energy: -1432.465 where: short stacking energy: -684.232 Base-Backbone interact. energy: -2.348 local terms energy: -821.639140 where: bonds (distance) C4'-P energy: -152.717 bonds (distance) P-C4' energy: -177.390 flat angles C4'-P-C4' energy: -184.215 flat angles P-C4'-P energy: -118.975 tors. eta vs tors. theta energy: -188.341 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: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1797.002635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.002635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.002635 (E_RNA) where: Base-Base interactions energy: -1081.443 where: short stacking energy: -594.446 Base-Backbone interact. energy: -0.368 local terms energy: -715.190946 where: bonds (distance) C4'-P energy: -146.604 bonds (distance) P-C4' energy: -168.301 flat angles C4'-P-C4' energy: -164.612 flat angles P-C4'-P energy: -94.918 tors. eta vs tors. theta energy: -140.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1593.146644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.146644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.146644 (E_RNA) where: Base-Base interactions energy: -965.310 where: short stacking energy: -461.531 Base-Backbone interact. energy: 4.096 local terms energy: -631.932584 where: bonds (distance) C4'-P energy: -153.898 bonds (distance) P-C4' energy: -158.814 flat angles C4'-P-C4' energy: -155.892 flat angles P-C4'-P energy: -90.464 tors. eta vs tors. theta energy: -72.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1394.570030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.570030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.570030 (E_RNA) where: Base-Base interactions energy: -815.641 where: short stacking energy: -408.759 Base-Backbone interact. energy: 2.814 local terms energy: -581.742843 where: bonds (distance) C4'-P energy: -153.002 bonds (distance) P-C4' energy: -139.458 flat angles C4'-P-C4' energy: -169.059 flat angles P-C4'-P energy: -74.140 tors. eta vs tors. theta energy: -46.083 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: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1020.989827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.989827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.989827 (E_RNA) where: Base-Base interactions energy: -531.915 where: short stacking energy: -327.708 Base-Backbone interact. energy: 0.792 local terms energy: -489.866224 where: bonds (distance) C4'-P energy: -165.291 bonds (distance) P-C4' energy: -132.714 flat angles C4'-P-C4' energy: -98.139 flat angles P-C4'-P energy: -80.447 tors. eta vs tors. theta energy: -13.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -880.850192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.850192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.850192 (E_RNA) where: Base-Base interactions energy: -418.946 where: short stacking energy: -254.217 Base-Backbone interact. energy: 6.008 local terms energy: -467.911641 where: bonds (distance) C4'-P energy: -134.399 bonds (distance) P-C4' energy: -139.093 flat angles C4'-P-C4' energy: -125.450 flat angles P-C4'-P energy: -70.847 tors. eta vs tors. theta energy: 1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2992.801032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.801032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.801032 (E_RNA) where: Base-Base interactions energy: -1991.415 where: short stacking energy: -939.798 Base-Backbone interact. energy: -0.627 local terms energy: -1000.759314 where: bonds (distance) C4'-P energy: -194.000 bonds (distance) P-C4' energy: -188.558 flat angles C4'-P-C4' energy: -209.275 flat angles P-C4'-P energy: -138.519 tors. eta vs tors. theta energy: -270.407 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: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2778.640983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.640983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.640983 (E_RNA) where: Base-Base interactions energy: -1822.764 where: short stacking energy: -843.571 Base-Backbone interact. energy: -3.855 local terms energy: -952.021537 where: bonds (distance) C4'-P energy: -181.702 bonds (distance) P-C4' energy: -201.704 flat angles C4'-P-C4' energy: -206.606 flat angles P-C4'-P energy: -131.942 tors. eta vs tors. theta energy: -230.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2616.962422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.962422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.962422 (E_RNA) where: Base-Base interactions energy: -1750.370 where: short stacking energy: -794.708 Base-Backbone interact. energy: -1.217 local terms energy: -865.375186 where: bonds (distance) C4'-P energy: -174.163 bonds (distance) P-C4' energy: -177.508 flat angles C4'-P-C4' energy: -194.609 flat angles P-C4'-P energy: -109.428 tors. eta vs tors. theta energy: -209.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2402.416009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.416009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.416009 (E_RNA) where: Base-Base interactions energy: -1598.153 where: short stacking energy: -761.784 Base-Backbone interact. energy: -2.448 local terms energy: -801.814606 where: bonds (distance) C4'-P energy: -148.566 bonds (distance) P-C4' energy: -171.675 flat angles C4'-P-C4' energy: -185.409 flat angles P-C4'-P energy: -103.863 tors. eta vs tors. theta energy: -192.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2208.857854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.857854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.857854 (E_RNA) where: Base-Base interactions energy: -1467.214 where: short stacking energy: -685.599 Base-Backbone interact. energy: 0.199 local terms energy: -741.842614 where: bonds (distance) C4'-P energy: -151.197 bonds (distance) P-C4' energy: -153.894 flat angles C4'-P-C4' energy: -164.865 flat angles P-C4'-P energy: -110.243 tors. eta vs tors. theta energy: -161.643 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: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1782.104963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.104963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.104963 (E_RNA) where: Base-Base interactions energy: -1067.611 where: short stacking energy: -565.110 Base-Backbone interact. energy: -1.695 local terms energy: -712.798982 where: bonds (distance) C4'-P energy: -145.160 bonds (distance) P-C4' energy: -162.653 flat angles C4'-P-C4' energy: -182.863 flat angles P-C4'-P energy: -94.331 tors. eta vs tors. theta energy: -127.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1618.236594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.236594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.236594 (E_RNA) where: Base-Base interactions energy: -963.947 where: short stacking energy: -475.170 Base-Backbone interact. energy: -3.763 local terms energy: -650.526582 where: bonds (distance) C4'-P energy: -136.283 bonds (distance) P-C4' energy: -144.662 flat angles C4'-P-C4' energy: -169.611 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -108.165 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: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1325.954293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.954293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.954293 (E_RNA) where: Base-Base interactions energy: -748.778 where: short stacking energy: -391.705 Base-Backbone interact. energy: -0.762 local terms energy: -576.414946 where: bonds (distance) C4'-P energy: -128.270 bonds (distance) P-C4' energy: -177.994 flat angles C4'-P-C4' energy: -141.368 flat angles P-C4'-P energy: -69.097 tors. eta vs tors. theta energy: -59.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1021.878727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.878727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.878727 (E_RNA) where: Base-Base interactions energy: -521.376 where: short stacking energy: -322.949 Base-Backbone interact. energy: -2.411 local terms energy: -498.092273 where: bonds (distance) C4'-P energy: -142.586 bonds (distance) P-C4' energy: -151.126 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -72.940 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: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -928.596842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.596842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.596842 (E_RNA) where: Base-Base interactions energy: -462.384 where: short stacking energy: -265.547 Base-Backbone interact. energy: -5.532 local terms energy: -460.681219 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -164.536 flat angles C4'-P-C4' energy: -121.076 flat angles P-C4'-P energy: -87.650 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: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -3031.586269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.586269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.586269 (E_RNA) where: Base-Base interactions energy: -2008.484 where: short stacking energy: -933.320 Base-Backbone interact. energy: -2.413 local terms energy: -1020.689063 where: bonds (distance) C4'-P energy: -189.325 bonds (distance) P-C4' energy: -196.378 flat angles C4'-P-C4' energy: -209.912 flat angles P-C4'-P energy: -156.257 tors. eta vs tors. theta energy: -268.817 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: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2777.041022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.041022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.041022 (E_RNA) where: Base-Base interactions energy: -1849.058 where: short stacking energy: -857.265 Base-Backbone interact. energy: -7.276 local terms energy: -920.707037 where: bonds (distance) C4'-P energy: -161.807 bonds (distance) P-C4' energy: -178.631 flat angles C4'-P-C4' energy: -202.672 flat angles P-C4'-P energy: -138.143 tors. eta vs tors. theta energy: -239.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2656.984865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.984865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.984865 (E_RNA) where: Base-Base interactions energy: -1793.537 where: short stacking energy: -806.310 Base-Backbone interact. energy: -3.543 local terms energy: -859.904461 where: bonds (distance) C4'-P energy: -176.168 bonds (distance) P-C4' energy: -156.942 flat angles C4'-P-C4' energy: -195.590 flat angles P-C4'-P energy: -129.370 tors. eta vs tors. theta energy: -201.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2332.876768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.876768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.876768 (E_RNA) where: Base-Base interactions energy: -1499.986 where: short stacking energy: -695.371 Base-Backbone interact. energy: -5.986 local terms energy: -826.904153 where: bonds (distance) C4'-P energy: -165.555 bonds (distance) P-C4' energy: -168.647 flat angles C4'-P-C4' energy: -190.251 flat angles P-C4'-P energy: -113.481 tors. eta vs tors. theta energy: -188.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2165.882094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.882094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.882094 (E_RNA) where: Base-Base interactions energy: -1397.435 where: short stacking energy: -666.952 Base-Backbone interact. energy: -2.445 local terms energy: -766.002980 where: bonds (distance) C4'-P energy: -149.185 bonds (distance) P-C4' energy: -179.115 flat angles C4'-P-C4' energy: -181.592 flat angles P-C4'-P energy: -104.578 tors. eta vs tors. theta energy: -151.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1754.820685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.820685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.820685 (E_RNA) where: Base-Base interactions energy: -1034.703 where: short stacking energy: -577.027 Base-Backbone interact. energy: -2.040 local terms energy: -718.077651 where: bonds (distance) C4'-P energy: -171.083 bonds (distance) P-C4' energy: -170.182 flat angles C4'-P-C4' energy: -160.106 flat angles P-C4'-P energy: -84.754 tors. eta vs tors. theta energy: -131.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1616.033649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.033649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.033649 (E_RNA) where: Base-Base interactions energy: -950.305 where: short stacking energy: -487.150 Base-Backbone interact. energy: 1.222 local terms energy: -666.951034 where: bonds (distance) C4'-P energy: -147.625 bonds (distance) P-C4' energy: -164.553 flat angles C4'-P-C4' energy: -168.172 flat angles P-C4'-P energy: -99.609 tors. eta vs tors. theta energy: -86.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1347.877676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.877676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.877676 (E_RNA) where: Base-Base interactions energy: -733.998 where: short stacking energy: -382.938 Base-Backbone interact. energy: 3.755 local terms energy: -617.635000 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -164.674 flat angles C4'-P-C4' energy: -159.652 flat angles P-C4'-P energy: -95.078 tors. eta vs tors. theta energy: -49.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1037.707592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.707592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.707592 (E_RNA) where: Base-Base interactions energy: -510.745 where: short stacking energy: -308.297 Base-Backbone interact. energy: 0.157 local terms energy: -527.119446 where: bonds (distance) C4'-P energy: -128.725 bonds (distance) P-C4' energy: -143.776 flat angles C4'-P-C4' energy: -141.054 flat angles P-C4'-P energy: -82.068 tors. eta vs tors. theta energy: -31.497 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: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -856.121604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.121604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.121604 (E_RNA) where: Base-Base interactions energy: -425.604 where: short stacking energy: -226.127 Base-Backbone interact. energy: 3.180 local terms energy: -433.698351 where: bonds (distance) C4'-P energy: -141.945 bonds (distance) P-C4' energy: -119.625 flat angles C4'-P-C4' energy: -121.705 flat angles P-C4'-P energy: -72.944 tors. eta vs tors. theta energy: 22.521 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: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -3029.028962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.028962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.028962 (E_RNA) where: Base-Base interactions energy: -2015.921 where: short stacking energy: -972.590 Base-Backbone interact. energy: -1.098 local terms energy: -1012.009415 where: bonds (distance) C4'-P energy: -183.860 bonds (distance) P-C4' energy: -181.473 flat angles C4'-P-C4' energy: -214.956 flat angles P-C4'-P energy: -142.578 tors. eta vs tors. theta energy: -289.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2771.209706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.209706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.209706 (E_RNA) where: Base-Base interactions energy: -1801.533 where: short stacking energy: -832.467 Base-Backbone interact. energy: -6.832 local terms energy: -962.844562 where: bonds (distance) C4'-P energy: -189.171 bonds (distance) P-C4' energy: -183.775 flat angles C4'-P-C4' energy: -215.759 flat angles P-C4'-P energy: -138.783 tors. eta vs tors. theta energy: -235.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2672.262913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.262913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.262913 (E_RNA) where: Base-Base interactions energy: -1793.036 where: short stacking energy: -817.664 Base-Backbone interact. energy: 2.307 local terms energy: -881.533985 where: bonds (distance) C4'-P energy: -183.137 bonds (distance) P-C4' energy: -170.781 flat angles C4'-P-C4' energy: -201.608 flat angles P-C4'-P energy: -126.198 tors. eta vs tors. theta energy: -199.810 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: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2313.402760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.402760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.402760 (E_RNA) where: Base-Base interactions energy: -1482.847 where: short stacking energy: -713.795 Base-Backbone interact. energy: -3.567 local terms energy: -826.988970 where: bonds (distance) C4'-P energy: -164.039 bonds (distance) P-C4' energy: -178.750 flat angles C4'-P-C4' energy: -182.325 flat angles P-C4'-P energy: -110.521 tors. eta vs tors. theta energy: -191.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2221.006318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.006318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.006318 (E_RNA) where: Base-Base interactions energy: -1433.310 where: short stacking energy: -688.458 Base-Backbone interact. energy: 5.186 local terms energy: -792.882392 where: bonds (distance) C4'-P energy: -157.063 bonds (distance) P-C4' energy: -159.964 flat angles C4'-P-C4' energy: -165.641 flat angles P-C4'-P energy: -124.842 tors. eta vs tors. theta energy: -185.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1867.451602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.451602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.451602 (E_RNA) where: Base-Base interactions energy: -1143.248 where: short stacking energy: -612.081 Base-Backbone interact. energy: -0.472 local terms energy: -723.731617 where: bonds (distance) C4'-P energy: -157.336 bonds (distance) P-C4' energy: -161.384 flat angles C4'-P-C4' energy: -158.676 flat angles P-C4'-P energy: -104.348 tors. eta vs tors. theta energy: -141.988 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: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1642.007852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.007852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.007852 (E_RNA) where: Base-Base interactions energy: -978.381 where: short stacking energy: -497.628 Base-Backbone interact. energy: -1.571 local terms energy: -662.056197 where: bonds (distance) C4'-P energy: -166.589 bonds (distance) P-C4' energy: -158.026 flat angles C4'-P-C4' energy: -158.604 flat angles P-C4'-P energy: -84.672 tors. eta vs tors. theta energy: -94.165 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: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1330.519553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.519553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.519553 (E_RNA) where: Base-Base interactions energy: -748.013 where: short stacking energy: -401.378 Base-Backbone interact. energy: 1.416 local terms energy: -583.922636 where: bonds (distance) C4'-P energy: -144.954 bonds (distance) P-C4' energy: -166.198 flat angles C4'-P-C4' energy: -122.102 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -59.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -955.733548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.733548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.733548 (E_RNA) where: Base-Base interactions energy: -418.637 where: short stacking energy: -270.195 Base-Backbone interact. energy: -2.870 local terms energy: -534.226635 where: bonds (distance) C4'-P energy: -147.433 bonds (distance) P-C4' energy: -164.319 flat angles C4'-P-C4' energy: -136.317 flat angles P-C4'-P energy: -69.232 tors. eta vs tors. theta energy: -16.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -881.932221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.932221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.932221 (E_RNA) where: Base-Base interactions energy: -421.896 where: short stacking energy: -234.287 Base-Backbone interact. energy: -0.621 local terms energy: -459.415485 where: bonds (distance) C4'-P energy: -147.797 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -121.833 flat angles P-C4'-P energy: -81.785 tors. eta vs tors. theta energy: 22.065 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: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -3031.340488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.340488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.340488 (E_RNA) where: Base-Base interactions energy: -2042.008 where: short stacking energy: -954.610 Base-Backbone interact. energy: 1.469 local terms energy: -990.802094 where: bonds (distance) C4'-P energy: -171.579 bonds (distance) P-C4' energy: -179.788 flat angles C4'-P-C4' energy: -201.246 flat angles P-C4'-P energy: -148.782 tors. eta vs tors. theta energy: -289.407 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2737.048898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.048898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.048898 (E_RNA) where: Base-Base interactions energy: -1832.588 where: short stacking energy: -838.193 Base-Backbone interact. energy: -3.769 local terms energy: -900.692017 where: bonds (distance) C4'-P energy: -191.934 bonds (distance) P-C4' energy: -186.849 flat angles C4'-P-C4' energy: -182.826 flat angles P-C4'-P energy: -113.526 tors. eta vs tors. theta energy: -225.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2684.313213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.313213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.313213 (E_RNA) where: Base-Base interactions energy: -1817.567 where: short stacking energy: -818.756 Base-Backbone interact. energy: -2.439 local terms energy: -864.307018 where: bonds (distance) C4'-P energy: -158.724 bonds (distance) P-C4' energy: -168.019 flat angles C4'-P-C4' energy: -185.996 flat angles P-C4'-P energy: -143.554 tors. eta vs tors. theta energy: -208.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2327.569604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.569604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.569604 (E_RNA) where: Base-Base interactions energy: -1504.330 where: short stacking energy: -681.422 Base-Backbone interact. energy: -5.222 local terms energy: -818.017646 where: bonds (distance) C4'-P energy: -167.842 bonds (distance) P-C4' energy: -174.882 flat angles C4'-P-C4' energy: -173.792 flat angles P-C4'-P energy: -125.786 tors. eta vs tors. theta energy: -175.715 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: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2259.404297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.404297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.404297 (E_RNA) where: Base-Base interactions energy: -1473.744 where: short stacking energy: -680.773 Base-Backbone interact. energy: -2.304 local terms energy: -783.356297 where: bonds (distance) C4'-P energy: -166.270 bonds (distance) P-C4' energy: -166.638 flat angles C4'-P-C4' energy: -167.891 flat angles P-C4'-P energy: -114.452 tors. eta vs tors. theta energy: -168.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1947.738352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.738352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.738352 (E_RNA) where: Base-Base interactions energy: -1176.460 where: short stacking energy: -603.751 Base-Backbone interact. energy: -2.706 local terms energy: -768.572417 where: bonds (distance) C4'-P energy: -157.743 bonds (distance) P-C4' energy: -171.175 flat angles C4'-P-C4' energy: -178.369 flat angles P-C4'-P energy: -106.871 tors. eta vs tors. theta energy: -154.415 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: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1759.766773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.766773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.766773 (E_RNA) where: Base-Base interactions energy: -1056.891 where: short stacking energy: -500.566 Base-Backbone interact. energy: -5.455 local terms energy: -697.420334 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -172.628 flat angles C4'-P-C4' energy: -178.056 flat angles P-C4'-P energy: -124.192 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: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1261.630059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.630059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.630059 (E_RNA) where: Base-Base interactions energy: -693.103 where: short stacking energy: -367.684 Base-Backbone interact. energy: -1.117 local terms energy: -567.409786 where: bonds (distance) C4'-P energy: -135.264 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -143.116 flat angles P-C4'-P energy: -86.451 tors. eta vs tors. theta energy: -37.606 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: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -966.729854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.729854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.729854 (E_RNA) where: Base-Base interactions energy: -487.694 where: short stacking energy: -290.874 Base-Backbone interact. energy: -0.581 local terms energy: -478.454966 where: bonds (distance) C4'-P energy: -136.446 bonds (distance) P-C4' energy: -128.302 flat angles C4'-P-C4' energy: -129.570 flat angles P-C4'-P energy: -69.653 tors. eta vs tors. theta energy: -14.484 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: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -906.460078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.460078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.460078 (E_RNA) where: Base-Base interactions energy: -483.484 where: short stacking energy: -294.175 Base-Backbone interact. energy: -1.811 local terms energy: -421.164800 where: bonds (distance) C4'-P energy: -96.744 bonds (distance) P-C4' energy: -128.891 flat angles C4'-P-C4' energy: -127.787 flat angles P-C4'-P energy: -78.292 tors. eta vs tors. theta energy: 10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -3027.047455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.047455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.047455 (E_RNA) where: Base-Base interactions energy: -2028.211 where: short stacking energy: -950.280 Base-Backbone interact. energy: -3.785 local terms energy: -995.051740 where: bonds (distance) C4'-P energy: -183.673 bonds (distance) P-C4' energy: -194.940 flat angles C4'-P-C4' energy: -209.581 flat angles P-C4'-P energy: -128.411 tors. eta vs tors. theta energy: -278.446 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: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2757.674454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.674454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.674454 (E_RNA) where: Base-Base interactions energy: -1822.768 where: short stacking energy: -858.628 Base-Backbone interact. energy: -4.029 local terms energy: -930.878097 where: bonds (distance) C4'-P energy: -175.323 bonds (distance) P-C4' energy: -165.796 flat angles C4'-P-C4' energy: -198.477 flat angles P-C4'-P energy: -134.281 tors. eta vs tors. theta energy: -257.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2716.778072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.778072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.778072 (E_RNA) where: Base-Base interactions energy: -1843.557 where: short stacking energy: -786.788 Base-Backbone interact. energy: -2.666 local terms energy: -870.554696 where: bonds (distance) C4'-P energy: -175.444 bonds (distance) P-C4' energy: -175.979 flat angles C4'-P-C4' energy: -185.526 flat angles P-C4'-P energy: -114.963 tors. eta vs tors. theta energy: -218.643 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: 82 Temperature: 1.050000 Total energy: -2341.986415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.986415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.986415 (E_RNA) where: Base-Base interactions energy: -1480.435 where: short stacking energy: -706.432 Base-Backbone interact. energy: -3.448 local terms energy: -858.103808 where: bonds (distance) C4'-P energy: -181.201 bonds (distance) P-C4' energy: -189.453 flat angles C4'-P-C4' energy: -180.723 flat angles P-C4'-P energy: -124.041 tors. eta vs tors. theta energy: -182.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2245.844819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.844819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.844819 (E_RNA) where: Base-Base interactions energy: -1448.562 where: short stacking energy: -681.222 Base-Backbone interact. energy: -4.879 local terms energy: -792.404250 where: bonds (distance) C4'-P energy: -169.703 bonds (distance) P-C4' energy: -155.108 flat angles C4'-P-C4' energy: -184.269 flat angles P-C4'-P energy: -114.426 tors. eta vs tors. theta energy: -168.898 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: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1796.396495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.396495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.396495 (E_RNA) where: Base-Base interactions energy: -1103.957 where: short stacking energy: -563.721 Base-Backbone interact. energy: -0.853 local terms energy: -691.585869 where: bonds (distance) C4'-P energy: -156.124 bonds (distance) P-C4' energy: -166.036 flat angles C4'-P-C4' energy: -169.531 flat angles P-C4'-P energy: -96.830 tors. eta vs tors. theta energy: -103.066 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: 82 Temperature: 1.200000 Total energy: -1740.325824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.325824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.325824 (E_RNA) where: Base-Base interactions energy: -1077.779 where: short stacking energy: -477.766 Base-Backbone interact. energy: 0.421 local terms energy: -662.967943 where: bonds (distance) C4'-P energy: -132.171 bonds (distance) P-C4' energy: -182.135 flat angles C4'-P-C4' energy: -159.987 flat angles P-C4'-P energy: -91.942 tors. eta vs tors. theta energy: -96.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1244.527398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.527398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.527398 (E_RNA) where: Base-Base interactions energy: -676.431 where: short stacking energy: -367.999 Base-Backbone interact. energy: -4.933 local terms energy: -563.162966 where: bonds (distance) C4'-P energy: -130.828 bonds (distance) P-C4' energy: -159.665 flat angles C4'-P-C4' energy: -162.892 flat angles P-C4'-P energy: -82.796 tors. eta vs tors. theta energy: -26.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1047.345509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.345509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.345509 (E_RNA) where: Base-Base interactions energy: -513.418 where: short stacking energy: -319.577 Base-Backbone interact. energy: 3.936 local terms energy: -537.863834 where: bonds (distance) C4'-P energy: -150.262 bonds (distance) P-C4' energy: -170.584 flat angles C4'-P-C4' energy: -133.986 flat angles P-C4'-P energy: -68.112 tors. eta vs tors. theta energy: -14.920 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: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -857.292958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.292958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.292958 (E_RNA) where: Base-Base interactions energy: -427.344 where: short stacking energy: -260.878 Base-Backbone interact. energy: 0.787 local terms energy: -430.735904 where: bonds (distance) C4'-P energy: -133.881 bonds (distance) P-C4' energy: -148.877 flat angles C4'-P-C4' energy: -127.144 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: 30.671 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: 83 Temperature: 0.900000 Total energy: -3068.586611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.586611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.586611 (E_RNA) where: Base-Base interactions energy: -2044.679 where: short stacking energy: -974.092 Base-Backbone interact. energy: -0.984 local terms energy: -1022.922983 where: bonds (distance) C4'-P energy: -194.907 bonds (distance) P-C4' energy: -173.292 flat angles C4'-P-C4' energy: -212.001 flat angles P-C4'-P energy: -152.201 tors. eta vs tors. theta energy: -290.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2764.317292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.317292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.317292 (E_RNA) where: Base-Base interactions energy: -1817.889 where: short stacking energy: -844.607 Base-Backbone interact. energy: -3.138 local terms energy: -943.290047 where: bonds (distance) C4'-P energy: -180.656 bonds (distance) P-C4' energy: -166.535 flat angles C4'-P-C4' energy: -199.765 flat angles P-C4'-P energy: -150.174 tors. eta vs tors. theta energy: -246.161 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: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2725.050835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.050835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.050835 (E_RNA) where: Base-Base interactions energy: -1863.052 where: short stacking energy: -823.983 Base-Backbone interact. energy: -2.074 local terms energy: -859.924748 where: bonds (distance) C4'-P energy: -167.844 bonds (distance) P-C4' energy: -172.877 flat angles C4'-P-C4' energy: -182.414 flat angles P-C4'-P energy: -110.267 tors. eta vs tors. theta energy: -226.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2324.643550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.643550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.643550 (E_RNA) where: Base-Base interactions energy: -1527.977 where: short stacking energy: -705.537 Base-Backbone interact. energy: -1.758 local terms energy: -794.908034 where: bonds (distance) C4'-P energy: -164.415 bonds (distance) P-C4' energy: -168.374 flat angles C4'-P-C4' energy: -176.290 flat angles P-C4'-P energy: -105.465 tors. eta vs tors. theta energy: -180.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2253.631088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.631088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.631088 (E_RNA) where: Base-Base interactions energy: -1460.655 where: short stacking energy: -659.602 Base-Backbone interact. energy: 6.850 local terms energy: -799.825794 where: bonds (distance) C4'-P energy: -154.656 bonds (distance) P-C4' energy: -179.489 flat angles C4'-P-C4' energy: -174.428 flat angles P-C4'-P energy: -128.930 tors. eta vs tors. theta energy: -162.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1823.246021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.246021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.246021 (E_RNA) where: Base-Base interactions energy: -1108.393 where: short stacking energy: -559.209 Base-Backbone interact. energy: -0.151 local terms energy: -714.702393 where: bonds (distance) C4'-P energy: -155.513 bonds (distance) P-C4' energy: -172.371 flat angles C4'-P-C4' energy: -167.415 flat angles P-C4'-P energy: -98.117 tors. eta vs tors. theta energy: -121.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1739.506448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.506448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.506448 (E_RNA) where: Base-Base interactions energy: -1028.323 where: short stacking energy: -519.211 Base-Backbone interact. energy: -1.236 local terms energy: -709.948081 where: bonds (distance) C4'-P energy: -160.467 bonds (distance) P-C4' energy: -166.428 flat angles C4'-P-C4' energy: -161.205 flat angles P-C4'-P energy: -107.707 tors. eta vs tors. theta energy: -114.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1242.297946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.297946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.297946 (E_RNA) where: Base-Base interactions energy: -658.904 where: short stacking energy: -356.315 Base-Backbone interact. energy: -0.807 local terms energy: -582.586307 where: bonds (distance) C4'-P energy: -165.387 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -150.842 flat angles P-C4'-P energy: -87.758 tors. eta vs tors. theta energy: -35.846 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: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -997.840574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.840574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.840574 (E_RNA) where: Base-Base interactions energy: -465.838 where: short stacking energy: -285.949 Base-Backbone interact. energy: -1.057 local terms energy: -530.944825 where: bonds (distance) C4'-P energy: -122.446 bonds (distance) P-C4' energy: -138.140 flat angles C4'-P-C4' energy: -162.770 flat angles P-C4'-P energy: -83.662 tors. eta vs tors. theta energy: -23.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -791.262942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.262942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.262942 (E_RNA) where: Base-Base interactions energy: -390.744 where: short stacking energy: -242.329 Base-Backbone interact. energy: 0.631 local terms energy: -401.149162 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -140.049 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -54.453 tors. eta vs tors. theta energy: 28.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -3078.161560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.161560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.161560 (E_RNA) where: Base-Base interactions energy: -2031.985 where: short stacking energy: -972.290 Base-Backbone interact. energy: -1.653 local terms energy: -1044.523380 where: bonds (distance) C4'-P energy: -175.714 bonds (distance) P-C4' energy: -193.886 flat angles C4'-P-C4' energy: -221.238 flat angles P-C4'-P energy: -156.282 tors. eta vs tors. theta energy: -297.403 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: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2789.202811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.202811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.202811 (E_RNA) where: Base-Base interactions energy: -1849.764 where: short stacking energy: -858.081 Base-Backbone interact. energy: -3.263 local terms energy: -936.176053 where: bonds (distance) C4'-P energy: -180.438 bonds (distance) P-C4' energy: -171.242 flat angles C4'-P-C4' energy: -198.944 flat angles P-C4'-P energy: -127.905 tors. eta vs tors. theta energy: -257.646 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: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2719.788353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.788353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.788353 (E_RNA) where: Base-Base interactions energy: -1834.868 where: short stacking energy: -821.916 Base-Backbone interact. energy: 1.275 local terms energy: -886.195670 where: bonds (distance) C4'-P energy: -176.275 bonds (distance) P-C4' energy: -171.139 flat angles C4'-P-C4' energy: -206.824 flat angles P-C4'-P energy: -116.323 tors. eta vs tors. theta energy: -215.635 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: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2368.270815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.270815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.270815 (E_RNA) where: Base-Base interactions energy: -1539.555 where: short stacking energy: -727.248 Base-Backbone interact. energy: -5.430 local terms energy: -823.285901 where: bonds (distance) C4'-P energy: -163.934 bonds (distance) P-C4' energy: -171.528 flat angles C4'-P-C4' energy: -201.657 flat angles P-C4'-P energy: -104.763 tors. eta vs tors. theta energy: -181.403 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: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2175.664069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.664069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.664069 (E_RNA) where: Base-Base interactions energy: -1382.407 where: short stacking energy: -666.251 Base-Backbone interact. energy: -3.965 local terms energy: -789.292107 where: bonds (distance) C4'-P energy: -143.346 bonds (distance) P-C4' energy: -166.873 flat angles C4'-P-C4' energy: -191.924 flat angles P-C4'-P energy: -109.929 tors. eta vs tors. theta energy: -177.220 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: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1754.593527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.593527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.593527 (E_RNA) where: Base-Base interactions energy: -1091.339 where: short stacking energy: -523.819 Base-Backbone interact. energy: -0.732 local terms energy: -662.522783 where: bonds (distance) C4'-P energy: -145.731 bonds (distance) P-C4' energy: -154.256 flat angles C4'-P-C4' energy: -157.990 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -98.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1657.208803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.208803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.208803 (E_RNA) where: Base-Base interactions energy: -1012.345 where: short stacking energy: -505.268 Base-Backbone interact. energy: -1.694 local terms energy: -643.169996 where: bonds (distance) C4'-P energy: -165.598 bonds (distance) P-C4' energy: -151.607 flat angles C4'-P-C4' energy: -160.549 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -78.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1255.965615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.965615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.965615 (E_RNA) where: Base-Base interactions energy: -669.372 where: short stacking energy: -342.878 Base-Backbone interact. energy: -4.234 local terms energy: -582.359343 where: bonds (distance) C4'-P energy: -157.564 bonds (distance) P-C4' energy: -162.756 flat angles C4'-P-C4' energy: -147.079 flat angles P-C4'-P energy: -85.827 tors. eta vs tors. theta energy: -29.134 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: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -996.489461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.489461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.489461 (E_RNA) where: Base-Base interactions energy: -488.479 where: short stacking energy: -325.663 Base-Backbone interact. energy: -4.028 local terms energy: -503.982634 where: bonds (distance) C4'-P energy: -146.352 bonds (distance) P-C4' energy: -151.172 flat angles C4'-P-C4' energy: -126.511 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -28.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -785.566859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.566859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.566859 (E_RNA) where: Base-Base interactions energy: -319.217 where: short stacking energy: -218.125 Base-Backbone interact. energy: 2.927 local terms energy: -469.276342 where: bonds (distance) C4'-P energy: -123.338 bonds (distance) P-C4' energy: -158.546 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -85.012 tors. eta vs tors. theta energy: 34.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -3044.383421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.383421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.383421 (E_RNA) where: Base-Base interactions energy: -2040.663 where: short stacking energy: -953.436 Base-Backbone interact. energy: 0.279 local terms energy: -1003.999407 where: bonds (distance) C4'-P energy: -170.903 bonds (distance) P-C4' energy: -189.109 flat angles C4'-P-C4' energy: -210.947 flat angles P-C4'-P energy: -146.045 tors. eta vs tors. theta energy: -286.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2839.311815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.311815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.311815 (E_RNA) where: Base-Base interactions energy: -1843.973 where: short stacking energy: -888.500 Base-Backbone interact. energy: -3.599 local terms energy: -991.740327 where: bonds (distance) C4'-P energy: -174.057 bonds (distance) P-C4' energy: -176.376 flat angles C4'-P-C4' energy: -225.984 flat angles P-C4'-P energy: -147.085 tors. eta vs tors. theta energy: -268.237 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: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2699.011310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.011310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.011310 (E_RNA) where: Base-Base interactions energy: -1809.208 where: short stacking energy: -780.836 Base-Backbone interact. energy: -4.775 local terms energy: -885.027895 where: bonds (distance) C4'-P energy: -162.505 bonds (distance) P-C4' energy: -175.735 flat angles C4'-P-C4' energy: -206.605 flat angles P-C4'-P energy: -131.326 tors. eta vs tors. theta energy: -208.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2409.286974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.286974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.286974 (E_RNA) where: Base-Base interactions energy: -1569.245 where: short stacking energy: -721.032 Base-Backbone interact. energy: -1.596 local terms energy: -838.446460 where: bonds (distance) C4'-P energy: -171.496 bonds (distance) P-C4' energy: -174.215 flat angles C4'-P-C4' energy: -181.456 flat angles P-C4'-P energy: -116.593 tors. eta vs tors. theta energy: -194.686 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: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2059.075939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.075939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.075939 (E_RNA) where: Base-Base interactions energy: -1332.430 where: short stacking energy: -623.376 Base-Backbone interact. energy: -3.816 local terms energy: -722.829481 where: bonds (distance) C4'-P energy: -152.888 bonds (distance) P-C4' energy: -160.808 flat angles C4'-P-C4' energy: -172.681 flat angles P-C4'-P energy: -95.253 tors. eta vs tors. theta energy: -141.199 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: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1734.535537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.535537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.535537 (E_RNA) where: Base-Base interactions energy: -1067.141 where: short stacking energy: -532.432 Base-Backbone interact. energy: -1.000 local terms energy: -666.394762 where: bonds (distance) C4'-P energy: -155.739 bonds (distance) P-C4' energy: -158.201 flat angles C4'-P-C4' energy: -173.171 flat angles P-C4'-P energy: -87.769 tors. eta vs tors. theta energy: -91.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1656.925719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.925719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.925719 (E_RNA) where: Base-Base interactions energy: -981.878 where: short stacking energy: -518.073 Base-Backbone interact. energy: -1.112 local terms energy: -673.936449 where: bonds (distance) C4'-P energy: -148.816 bonds (distance) P-C4' energy: -158.454 flat angles C4'-P-C4' energy: -168.971 flat angles P-C4'-P energy: -85.807 tors. eta vs tors. theta energy: -111.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1359.462667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.462667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.462667 (E_RNA) where: Base-Base interactions energy: -752.936 where: short stacking energy: -392.618 Base-Backbone interact. energy: -2.498 local terms energy: -604.028002 where: bonds (distance) C4'-P energy: -147.403 bonds (distance) P-C4' energy: -149.758 flat angles C4'-P-C4' energy: -156.286 flat angles P-C4'-P energy: -95.945 tors. eta vs tors. theta energy: -54.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1007.563088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.563088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.563088 (E_RNA) where: Base-Base interactions energy: -464.588 where: short stacking energy: -301.458 Base-Backbone interact. energy: 0.462 local terms energy: -543.437872 where: bonds (distance) C4'-P energy: -143.835 bonds (distance) P-C4' energy: -153.345 flat angles C4'-P-C4' energy: -144.295 flat angles P-C4'-P energy: -85.384 tors. eta vs tors. theta energy: -16.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -801.951476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.951476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.951476 (E_RNA) where: Base-Base interactions energy: -343.724 where: short stacking energy: -220.805 Base-Backbone interact. energy: -4.222 local terms energy: -454.005584 where: bonds (distance) C4'-P energy: -162.168 bonds (distance) P-C4' energy: -139.207 flat angles C4'-P-C4' energy: -112.121 flat angles P-C4'-P energy: -67.607 tors. eta vs tors. theta energy: 27.098 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: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -3037.542609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.542609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.542609 (E_RNA) where: Base-Base interactions energy: -2032.923 where: short stacking energy: -928.068 Base-Backbone interact. energy: 0.466 local terms energy: -1005.085110 where: bonds (distance) C4'-P energy: -169.575 bonds (distance) P-C4' energy: -189.529 flat angles C4'-P-C4' energy: -218.690 flat angles P-C4'-P energy: -140.172 tors. eta vs tors. theta energy: -287.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2827.257017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.257017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.257017 (E_RNA) where: Base-Base interactions energy: -1876.236 where: short stacking energy: -887.450 Base-Backbone interact. energy: -5.559 local terms energy: -945.462325 where: bonds (distance) C4'-P energy: -173.894 bonds (distance) P-C4' energy: -186.972 flat angles C4'-P-C4' energy: -217.075 flat angles P-C4'-P energy: -120.425 tors. eta vs tors. theta energy: -247.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2664.572889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.572889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.572889 (E_RNA) where: Base-Base interactions energy: -1794.299 where: short stacking energy: -754.224 Base-Backbone interact. energy: -5.984 local terms energy: -864.289431 where: bonds (distance) C4'-P energy: -174.788 bonds (distance) P-C4' energy: -184.266 flat angles C4'-P-C4' energy: -188.007 flat angles P-C4'-P energy: -115.535 tors. eta vs tors. theta energy: -201.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2357.196525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.196525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.196525 (E_RNA) where: Base-Base interactions energy: -1554.093 where: short stacking energy: -747.054 Base-Backbone interact. energy: 1.924 local terms energy: -805.027460 where: bonds (distance) C4'-P energy: -151.300 bonds (distance) P-C4' energy: -172.366 flat angles C4'-P-C4' energy: -188.211 flat angles P-C4'-P energy: -115.177 tors. eta vs tors. theta energy: -177.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2161.340637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.340637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.340637 (E_RNA) where: Base-Base interactions energy: -1388.121 where: short stacking energy: -666.719 Base-Backbone interact. energy: -4.821 local terms energy: -768.398056 where: bonds (distance) C4'-P energy: -159.851 bonds (distance) P-C4' energy: -159.207 flat angles C4'-P-C4' energy: -168.998 flat angles P-C4'-P energy: -118.646 tors. eta vs tors. theta energy: -161.696 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: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1830.775207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.775207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.775207 (E_RNA) where: Base-Base interactions energy: -1128.755 where: short stacking energy: -559.702 Base-Backbone interact. energy: 1.123 local terms energy: -703.142545 where: bonds (distance) C4'-P energy: -159.439 bonds (distance) P-C4' energy: -159.060 flat angles C4'-P-C4' energy: -168.502 flat angles P-C4'-P energy: -111.585 tors. eta vs tors. theta energy: -104.557 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: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1605.404067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.404067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.404067 (E_RNA) where: Base-Base interactions energy: -962.555 where: short stacking energy: -490.341 Base-Backbone interact. energy: -4.856 local terms energy: -637.992584 where: bonds (distance) C4'-P energy: -154.228 bonds (distance) P-C4' energy: -153.292 flat angles C4'-P-C4' energy: -167.546 flat angles P-C4'-P energy: -75.225 tors. eta vs tors. theta energy: -87.702 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: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1363.161680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.161680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.161680 (E_RNA) where: Base-Base interactions energy: -754.466 where: short stacking energy: -402.921 Base-Backbone interact. energy: 2.973 local terms energy: -611.668462 where: bonds (distance) C4'-P energy: -159.162 bonds (distance) P-C4' energy: -146.135 flat angles C4'-P-C4' energy: -148.957 flat angles P-C4'-P energy: -92.854 tors. eta vs tors. theta energy: -64.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -987.776871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.776871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.776871 (E_RNA) where: Base-Base interactions energy: -456.807 where: short stacking energy: -282.670 Base-Backbone interact. energy: -1.096 local terms energy: -529.873037 where: bonds (distance) C4'-P energy: -155.203 bonds (distance) P-C4' energy: -152.468 flat angles C4'-P-C4' energy: -123.932 flat angles P-C4'-P energy: -90.121 tors. eta vs tors. theta energy: -8.148 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: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -767.715370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.715370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.715370 (E_RNA) where: Base-Base interactions energy: -323.815 where: short stacking energy: -229.100 Base-Backbone interact. energy: -4.901 local terms energy: -438.999352 where: bonds (distance) C4'-P energy: -134.416 bonds (distance) P-C4' energy: -158.015 flat angles C4'-P-C4' energy: -117.498 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: 20.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -3005.193729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.193729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.193729 (E_RNA) where: Base-Base interactions energy: -1996.092 where: short stacking energy: -922.409 Base-Backbone interact. energy: 1.481 local terms energy: -1010.582782 where: bonds (distance) C4'-P energy: -188.063 bonds (distance) P-C4' energy: -183.000 flat angles C4'-P-C4' energy: -213.057 flat angles P-C4'-P energy: -150.217 tors. eta vs tors. theta energy: -276.245 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: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2801.023162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.023162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.023162 (E_RNA) where: Base-Base interactions energy: -1887.898 where: short stacking energy: -879.770 Base-Backbone interact. energy: -4.122 local terms energy: -909.003242 where: bonds (distance) C4'-P energy: -188.734 bonds (distance) P-C4' energy: -170.032 flat angles C4'-P-C4' energy: -194.536 flat angles P-C4'-P energy: -105.447 tors. eta vs tors. theta energy: -250.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2662.556766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.556766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.556766 (E_RNA) where: Base-Base interactions energy: -1808.092 where: short stacking energy: -793.852 Base-Backbone interact. energy: -1.549 local terms energy: -852.916339 where: bonds (distance) C4'-P energy: -167.556 bonds (distance) P-C4' energy: -169.957 flat angles C4'-P-C4' energy: -179.940 flat angles P-C4'-P energy: -129.272 tors. eta vs tors. theta energy: -206.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2386.180331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.180331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.180331 (E_RNA) where: Base-Base interactions energy: -1563.025 where: short stacking energy: -747.697 Base-Backbone interact. energy: -2.291 local terms energy: -820.864709 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -178.557 flat angles C4'-P-C4' energy: -191.749 flat angles P-C4'-P energy: -103.367 tors. eta vs tors. theta energy: -197.381 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: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2130.521797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.521797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.521797 (E_RNA) where: Base-Base interactions energy: -1340.417 where: short stacking energy: -674.746 Base-Backbone interact. energy: -1.851 local terms energy: -788.254000 where: bonds (distance) C4'-P energy: -177.843 bonds (distance) P-C4' energy: -161.491 flat angles C4'-P-C4' energy: -182.272 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -171.008 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: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1890.260549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.260549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.260549 (E_RNA) where: Base-Base interactions energy: -1156.711 where: short stacking energy: -569.909 Base-Backbone interact. energy: -1.607 local terms energy: -731.942406 where: bonds (distance) C4'-P energy: -158.185 bonds (distance) P-C4' energy: -171.148 flat angles C4'-P-C4' energy: -166.114 flat angles P-C4'-P energy: -114.852 tors. eta vs tors. theta energy: -121.645 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: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1646.407825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.407825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.407825 (E_RNA) where: Base-Base interactions energy: -956.181 where: short stacking energy: -480.720 Base-Backbone interact. energy: -0.038 local terms energy: -690.188832 where: bonds (distance) C4'-P energy: -156.767 bonds (distance) P-C4' energy: -156.441 flat angles C4'-P-C4' energy: -153.075 flat angles P-C4'-P energy: -100.054 tors. eta vs tors. theta energy: -123.853 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: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1386.062753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.062753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.062753 (E_RNA) where: Base-Base interactions energy: -775.429 where: short stacking energy: -396.877 Base-Backbone interact. energy: 1.173 local terms energy: -611.807370 where: bonds (distance) C4'-P energy: -147.904 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -149.692 flat angles P-C4'-P energy: -87.898 tors. eta vs tors. theta energy: -76.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -937.090034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.090034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.090034 (E_RNA) where: Base-Base interactions energy: -446.931 where: short stacking energy: -297.649 Base-Backbone interact. energy: 3.315 local terms energy: -493.474114 where: bonds (distance) C4'-P energy: -145.624 bonds (distance) P-C4' energy: -158.816 flat angles C4'-P-C4' energy: -110.299 flat angles P-C4'-P energy: -77.279 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: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -697.131324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.131324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.131324 (E_RNA) where: Base-Base interactions energy: -248.665 where: short stacking energy: -197.571 Base-Backbone interact. energy: 0.022 local terms energy: -448.487501 where: bonds (distance) C4'-P energy: -147.152 bonds (distance) P-C4' energy: -146.594 flat angles C4'-P-C4' energy: -110.866 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: 27.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3050.055509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.055509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.055509 (E_RNA) where: Base-Base interactions energy: -2026.885 where: short stacking energy: -947.637 Base-Backbone interact. energy: -1.395 local terms energy: -1021.775453 where: bonds (distance) C4'-P energy: -186.137 bonds (distance) P-C4' energy: -176.330 flat angles C4'-P-C4' energy: -226.884 flat angles P-C4'-P energy: -141.451 tors. eta vs tors. theta energy: -290.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2803.910977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.910977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.910977 (E_RNA) where: Base-Base interactions energy: -1856.207 where: short stacking energy: -829.326 Base-Backbone interact. energy: -3.968 local terms energy: -943.736256 where: bonds (distance) C4'-P energy: -171.556 bonds (distance) P-C4' energy: -187.974 flat angles C4'-P-C4' energy: -197.818 flat angles P-C4'-P energy: -140.112 tors. eta vs tors. theta energy: -246.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2747.273963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.273963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.273963 (E_RNA) where: Base-Base interactions energy: -1852.880 where: short stacking energy: -855.991 Base-Backbone interact. energy: -6.501 local terms energy: -887.892315 where: bonds (distance) C4'-P energy: -171.616 bonds (distance) P-C4' energy: -168.707 flat angles C4'-P-C4' energy: -184.658 flat angles P-C4'-P energy: -130.304 tors. eta vs tors. theta energy: -232.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2413.036168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.036168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.036168 (E_RNA) where: Base-Base interactions energy: -1567.333 where: short stacking energy: -740.858 Base-Backbone interact. energy: -1.277 local terms energy: -844.426256 where: bonds (distance) C4'-P energy: -156.637 bonds (distance) P-C4' energy: -183.774 flat angles C4'-P-C4' energy: -194.507 flat angles P-C4'-P energy: -120.566 tors. eta vs tors. theta energy: -188.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2145.052532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.052532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.052532 (E_RNA) where: Base-Base interactions energy: -1346.711 where: short stacking energy: -649.032 Base-Backbone interact. energy: -2.439 local terms energy: -795.902870 where: bonds (distance) C4'-P energy: -161.744 bonds (distance) P-C4' energy: -177.166 flat angles C4'-P-C4' energy: -175.865 flat angles P-C4'-P energy: -105.555 tors. eta vs tors. theta energy: -175.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1953.937442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.937442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.937442 (E_RNA) where: Base-Base interactions energy: -1242.356 where: short stacking energy: -579.667 Base-Backbone interact. energy: 3.720 local terms energy: -715.301180 where: bonds (distance) C4'-P energy: -170.012 bonds (distance) P-C4' energy: -161.655 flat angles C4'-P-C4' energy: -160.855 flat angles P-C4'-P energy: -98.491 tors. eta vs tors. theta energy: -124.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1588.808524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.808524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.808524 (E_RNA) where: Base-Base interactions energy: -925.839 where: short stacking energy: -469.417 Base-Backbone interact. energy: 0.115 local terms energy: -663.084234 where: bonds (distance) C4'-P energy: -143.370 bonds (distance) P-C4' energy: -155.675 flat angles C4'-P-C4' energy: -180.011 flat angles P-C4'-P energy: -80.730 tors. eta vs tors. theta energy: -103.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1449.214347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.214347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.214347 (E_RNA) where: Base-Base interactions energy: -861.959 where: short stacking energy: -437.740 Base-Backbone interact. energy: 5.398 local terms energy: -592.653134 where: bonds (distance) C4'-P energy: -123.958 bonds (distance) P-C4' energy: -175.756 flat angles C4'-P-C4' energy: -142.878 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -78.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -994.831395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.831395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.831395 (E_RNA) where: Base-Base interactions energy: -481.702 where: short stacking energy: -289.395 Base-Backbone interact. energy: -2.927 local terms energy: -510.203302 where: bonds (distance) C4'-P energy: -138.186 bonds (distance) P-C4' energy: -151.549 flat angles C4'-P-C4' energy: -124.142 flat angles P-C4'-P energy: -94.999 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -698.922357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.922357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.922357 (E_RNA) where: Base-Base interactions energy: -251.901 where: short stacking energy: -177.840 Base-Backbone interact. energy: 1.643 local terms energy: -448.664642 where: bonds (distance) C4'-P energy: -138.830 bonds (distance) P-C4' energy: -140.648 flat angles C4'-P-C4' energy: -130.430 flat angles P-C4'-P energy: -75.615 tors. eta vs tors. theta energy: 36.858 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: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3017.558069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.558069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.558069 (E_RNA) where: Base-Base interactions energy: -2028.791 where: short stacking energy: -939.482 Base-Backbone interact. energy: 3.001 local terms energy: -991.767660 where: bonds (distance) C4'-P energy: -191.576 bonds (distance) P-C4' energy: -185.005 flat angles C4'-P-C4' energy: -198.984 flat angles P-C4'-P energy: -142.214 tors. eta vs tors. theta energy: -273.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2786.918546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.918546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.918546 (E_RNA) where: Base-Base interactions energy: -1850.651 where: short stacking energy: -857.234 Base-Backbone interact. energy: -3.658 local terms energy: -932.609458 where: bonds (distance) C4'-P energy: -184.140 bonds (distance) P-C4' energy: -167.642 flat angles C4'-P-C4' energy: -196.330 flat angles P-C4'-P energy: -129.365 tors. eta vs tors. theta energy: -255.133 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: 3, replica: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2724.051485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.051485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.051485 (E_RNA) where: Base-Base interactions energy: -1826.569 where: short stacking energy: -826.745 Base-Backbone interact. energy: -3.944 local terms energy: -893.538015 where: bonds (distance) C4'-P energy: -155.098 bonds (distance) P-C4' energy: -180.863 flat angles C4'-P-C4' energy: -192.953 flat angles P-C4'-P energy: -131.351 tors. eta vs tors. theta energy: -233.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2453.603183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.603183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.603183 (E_RNA) where: Base-Base interactions energy: -1595.323 where: short stacking energy: -738.136 Base-Backbone interact. energy: 1.038 local terms energy: -859.318561 where: bonds (distance) C4'-P energy: -164.587 bonds (distance) P-C4' energy: -187.483 flat angles C4'-P-C4' energy: -189.744 flat angles P-C4'-P energy: -99.848 tors. eta vs tors. theta energy: -217.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2196.624615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.624615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.624615 (E_RNA) where: Base-Base interactions energy: -1393.848 where: short stacking energy: -637.407 Base-Backbone interact. energy: -1.598 local terms energy: -801.179289 where: bonds (distance) C4'-P energy: -161.229 bonds (distance) P-C4' energy: -170.054 flat angles C4'-P-C4' energy: -181.284 flat angles P-C4'-P energy: -118.304 tors. eta vs tors. theta energy: -170.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1954.066271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.066271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.066271 (E_RNA) where: Base-Base interactions energy: -1193.585 where: short stacking energy: -571.553 Base-Backbone interact. energy: -1.585 local terms energy: -758.896834 where: bonds (distance) C4'-P energy: -177.130 bonds (distance) P-C4' energy: -180.243 flat angles C4'-P-C4' energy: -169.080 flat angles P-C4'-P energy: -103.128 tors. eta vs tors. theta energy: -129.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1601.773706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.773706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.773706 (E_RNA) where: Base-Base interactions energy: -976.186 where: short stacking energy: -477.158 Base-Backbone interact. energy: 4.452 local terms energy: -630.039884 where: bonds (distance) C4'-P energy: -147.939 bonds (distance) P-C4' energy: -155.916 flat angles C4'-P-C4' energy: -141.800 flat angles P-C4'-P energy: -95.336 tors. eta vs tors. theta energy: -89.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1475.947818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.947818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.947818 (E_RNA) where: Base-Base interactions energy: -848.916 where: short stacking energy: -429.150 Base-Backbone interact. energy: -1.286 local terms energy: -625.745625 where: bonds (distance) C4'-P energy: -143.355 bonds (distance) P-C4' energy: -173.620 flat angles C4'-P-C4' energy: -139.202 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -81.437 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: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -945.487989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.487989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.487989 (E_RNA) where: Base-Base interactions energy: -434.493 where: short stacking energy: -291.136 Base-Backbone interact. energy: 0.755 local terms energy: -511.749133 where: bonds (distance) C4'-P energy: -160.432 bonds (distance) P-C4' energy: -168.403 flat angles C4'-P-C4' energy: -111.674 flat angles P-C4'-P energy: -76.929 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: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -677.567332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.567332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.567332 (E_RNA) where: Base-Base interactions energy: -245.138 where: short stacking energy: -189.164 Base-Backbone interact. energy: -0.637 local terms energy: -431.792625 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -165.117 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: 40.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3076.112183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.112183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.112183 (E_RNA) where: Base-Base interactions energy: -2079.133 where: short stacking energy: -947.807 Base-Backbone interact. energy: -5.449 local terms energy: -991.530199 where: bonds (distance) C4'-P energy: -170.331 bonds (distance) P-C4' energy: -184.657 flat angles C4'-P-C4' energy: -206.084 flat angles P-C4'-P energy: -146.618 tors. eta vs tors. theta energy: -283.840 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: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2802.086807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.086807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.086807 (E_RNA) where: Base-Base interactions energy: -1864.154 where: short stacking energy: -840.913 Base-Backbone interact. energy: -2.304 local terms energy: -935.628389 where: bonds (distance) C4'-P energy: -166.638 bonds (distance) P-C4' energy: -185.010 flat angles C4'-P-C4' energy: -189.243 flat angles P-C4'-P energy: -135.954 tors. eta vs tors. theta energy: -258.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2708.261148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.261148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.261148 (E_RNA) where: Base-Base interactions energy: -1810.836 where: short stacking energy: -862.555 Base-Backbone interact. energy: -4.663 local terms energy: -892.762215 where: bonds (distance) C4'-P energy: -173.805 bonds (distance) P-C4' energy: -178.281 flat angles C4'-P-C4' energy: -185.217 flat angles P-C4'-P energy: -124.706 tors. eta vs tors. theta energy: -230.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2403.061560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.061560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.061560 (E_RNA) where: Base-Base interactions energy: -1531.576 where: short stacking energy: -746.738 Base-Backbone interact. energy: -1.937 local terms energy: -869.548632 where: bonds (distance) C4'-P energy: -162.420 bonds (distance) P-C4' energy: -174.047 flat angles C4'-P-C4' energy: -196.018 flat angles P-C4'-P energy: -125.747 tors. eta vs tors. theta energy: -211.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2292.272596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.272596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.272596 (E_RNA) where: Base-Base interactions energy: -1502.681 where: short stacking energy: -705.718 Base-Backbone interact. energy: 1.412 local terms energy: -791.004013 where: bonds (distance) C4'-P energy: -158.470 bonds (distance) P-C4' energy: -185.842 flat angles C4'-P-C4' energy: -169.295 flat angles P-C4'-P energy: -98.441 tors. eta vs tors. theta energy: -178.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2004.055612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.055612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.055612 (E_RNA) where: Base-Base interactions energy: -1258.130 where: short stacking energy: -590.687 Base-Backbone interact. energy: 0.429 local terms energy: -746.354705 where: bonds (distance) C4'-P energy: -162.867 bonds (distance) P-C4' energy: -159.266 flat angles C4'-P-C4' energy: -180.362 flat angles P-C4'-P energy: -107.695 tors. eta vs tors. theta energy: -136.165 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: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1661.722294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.722294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.722294 (E_RNA) where: Base-Base interactions energy: -963.007 where: short stacking energy: -483.592 Base-Backbone interact. energy: 0.711 local terms energy: -699.425912 where: bonds (distance) C4'-P energy: -176.110 bonds (distance) P-C4' energy: -159.776 flat angles C4'-P-C4' energy: -164.101 flat angles P-C4'-P energy: -107.145 tors. eta vs tors. theta energy: -92.294 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: 90 Temperature: 1.250000 Total energy: -1454.063971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.063971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.063971 (E_RNA) where: Base-Base interactions energy: -838.602 where: short stacking energy: -443.193 Base-Backbone interact. energy: -4.041 local terms energy: -611.421597 where: bonds (distance) C4'-P energy: -153.519 bonds (distance) P-C4' energy: -163.125 flat angles C4'-P-C4' energy: -133.471 flat angles P-C4'-P energy: -95.964 tors. eta vs tors. theta energy: -65.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1020.093206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.093206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.093206 (E_RNA) where: Base-Base interactions energy: -533.224 where: short stacking energy: -299.226 Base-Backbone interact. energy: 1.646 local terms energy: -488.515678 where: bonds (distance) C4'-P energy: -133.778 bonds (distance) P-C4' energy: -151.938 flat angles C4'-P-C4' energy: -132.428 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -693.020983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.020983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.020983 (E_RNA) where: Base-Base interactions energy: -250.342 where: short stacking energy: -214.744 Base-Backbone interact. energy: 2.599 local terms energy: -445.277466 where: bonds (distance) C4'-P energy: -138.536 bonds (distance) P-C4' energy: -156.215 flat angles C4'-P-C4' energy: -110.737 flat angles P-C4'-P energy: -59.911 tors. eta vs tors. theta energy: 20.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3030.105697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.105697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.105697 (E_RNA) where: Base-Base interactions energy: -2035.944 where: short stacking energy: -924.947 Base-Backbone interact. energy: -2.770 local terms energy: -991.392111 where: bonds (distance) C4'-P energy: -175.981 bonds (distance) P-C4' energy: -181.189 flat angles C4'-P-C4' energy: -210.554 flat angles P-C4'-P energy: -149.853 tors. eta vs tors. theta energy: -273.815 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: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2781.848810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.848810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.848810 (E_RNA) where: Base-Base interactions energy: -1840.061 where: short stacking energy: -855.055 Base-Backbone interact. energy: -3.482 local terms energy: -938.305537 where: bonds (distance) C4'-P energy: -180.846 bonds (distance) P-C4' energy: -187.212 flat angles C4'-P-C4' energy: -202.506 flat angles P-C4'-P energy: -128.525 tors. eta vs tors. theta energy: -239.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2675.412403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.412403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.412403 (E_RNA) where: Base-Base interactions energy: -1774.270 where: short stacking energy: -808.087 Base-Backbone interact. energy: -2.896 local terms energy: -898.246252 where: bonds (distance) C4'-P energy: -180.707 bonds (distance) P-C4' energy: -173.865 flat angles C4'-P-C4' energy: -198.616 flat angles P-C4'-P energy: -130.645 tors. eta vs tors. theta energy: -214.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2455.446680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.446680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.446680 (E_RNA) where: Base-Base interactions energy: -1571.467 where: short stacking energy: -748.799 Base-Backbone interact. energy: -2.207 local terms energy: -881.772614 where: bonds (distance) C4'-P energy: -183.731 bonds (distance) P-C4' energy: -174.374 flat angles C4'-P-C4' energy: -186.346 flat angles P-C4'-P energy: -129.771 tors. eta vs tors. theta energy: -207.550 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: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2316.736176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.736176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.736176 (E_RNA) where: Base-Base interactions energy: -1501.995 where: short stacking energy: -716.431 Base-Backbone interact. energy: 0.108 local terms energy: -814.848997 where: bonds (distance) C4'-P energy: -167.574 bonds (distance) P-C4' energy: -147.515 flat angles C4'-P-C4' energy: -190.768 flat angles P-C4'-P energy: -113.573 tors. eta vs tors. theta energy: -195.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2006.906848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.906848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.906848 (E_RNA) where: Base-Base interactions energy: -1264.637 where: short stacking energy: -589.184 Base-Backbone interact. energy: -0.176 local terms energy: -742.093507 where: bonds (distance) C4'-P energy: -159.437 bonds (distance) P-C4' energy: -178.880 flat angles C4'-P-C4' energy: -171.482 flat angles P-C4'-P energy: -101.211 tors. eta vs tors. theta energy: -131.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1639.650589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.650589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.650589 (E_RNA) where: Base-Base interactions energy: -959.406 where: short stacking energy: -480.537 Base-Backbone interact. energy: 0.379 local terms energy: -680.624224 where: bonds (distance) C4'-P energy: -161.659 bonds (distance) P-C4' energy: -162.451 flat angles C4'-P-C4' energy: -166.112 flat angles P-C4'-P energy: -97.742 tors. eta vs tors. theta energy: -92.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1390.000607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.000607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.000607 (E_RNA) where: Base-Base interactions energy: -804.847 where: short stacking energy: -409.135 Base-Backbone interact. energy: -0.352 local terms energy: -584.801748 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -143.604 flat angles P-C4'-P energy: -89.431 tors. eta vs tors. theta energy: -55.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -990.810062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.810062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.810062 (E_RNA) where: Base-Base interactions energy: -482.534 where: short stacking energy: -276.098 Base-Backbone interact. energy: 1.773 local terms energy: -510.048878 where: bonds (distance) C4'-P energy: -134.845 bonds (distance) P-C4' energy: -159.682 flat angles C4'-P-C4' energy: -137.602 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -2.055 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: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -704.773029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.773029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.773029 (E_RNA) where: Base-Base interactions energy: -278.542 where: short stacking energy: -208.403 Base-Backbone interact. energy: -1.648 local terms energy: -424.583244 where: bonds (distance) C4'-P energy: -143.268 bonds (distance) P-C4' energy: -127.841 flat angles C4'-P-C4' energy: -128.200 flat angles P-C4'-P energy: -51.789 tors. eta vs tors. theta energy: 26.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3073.492332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.492332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.492332 (E_RNA) where: Base-Base interactions energy: -2074.468 where: short stacking energy: -934.556 Base-Backbone interact. energy: -3.275 local terms energy: -995.749445 where: bonds (distance) C4'-P energy: -171.541 bonds (distance) P-C4' energy: -183.048 flat angles C4'-P-C4' energy: -209.576 flat angles P-C4'-P energy: -145.496 tors. eta vs tors. theta energy: -286.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2825.598836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.598836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.598836 (E_RNA) where: Base-Base interactions energy: -1877.189 where: short stacking energy: -868.887 Base-Backbone interact. energy: -5.166 local terms energy: -943.243734 where: bonds (distance) C4'-P energy: -164.373 bonds (distance) P-C4' energy: -184.654 flat angles C4'-P-C4' energy: -202.064 flat angles P-C4'-P energy: -144.913 tors. eta vs tors. theta energy: -247.241 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: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2714.611265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.611265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.611265 (E_RNA) where: Base-Base interactions energy: -1828.850 where: short stacking energy: -812.759 Base-Backbone interact. energy: -3.145 local terms energy: -882.616106 where: bonds (distance) C4'-P energy: -167.941 bonds (distance) P-C4' energy: -168.829 flat angles C4'-P-C4' energy: -193.056 flat angles P-C4'-P energy: -125.753 tors. eta vs tors. theta energy: -227.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2425.235260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.235260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.235260 (E_RNA) where: Base-Base interactions energy: -1595.051 where: short stacking energy: -723.691 Base-Backbone interact. energy: 5.741 local terms energy: -835.925254 where: bonds (distance) C4'-P energy: -170.611 bonds (distance) P-C4' energy: -150.093 flat angles C4'-P-C4' energy: -197.251 flat angles P-C4'-P energy: -118.041 tors. eta vs tors. theta energy: -199.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2225.878303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.878303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.878303 (E_RNA) where: Base-Base interactions energy: -1425.159 where: short stacking energy: -692.253 Base-Backbone interact. energy: 1.708 local terms energy: -802.427183 where: bonds (distance) C4'-P energy: -158.657 bonds (distance) P-C4' energy: -154.641 flat angles C4'-P-C4' energy: -182.385 flat angles P-C4'-P energy: -123.994 tors. eta vs tors. theta energy: -182.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2019.284257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.284257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.284257 (E_RNA) where: Base-Base interactions energy: -1298.501 where: short stacking energy: -597.355 Base-Backbone interact. energy: 1.934 local terms energy: -722.717138 where: bonds (distance) C4'-P energy: -134.786 bonds (distance) P-C4' energy: -182.693 flat angles C4'-P-C4' energy: -162.658 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -142.504 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: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1671.967379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.967379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.967379 (E_RNA) where: Base-Base interactions energy: -1005.104 where: short stacking energy: -489.490 Base-Backbone interact. energy: -1.353 local terms energy: -665.509832 where: bonds (distance) C4'-P energy: -137.925 bonds (distance) P-C4' energy: -162.037 flat angles C4'-P-C4' energy: -163.068 flat angles P-C4'-P energy: -96.966 tors. eta vs tors. theta energy: -105.514 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: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1442.347739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.347739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.347739 (E_RNA) where: Base-Base interactions energy: -865.334 where: short stacking energy: -455.594 Base-Backbone interact. energy: 5.080 local terms energy: -582.093712 where: bonds (distance) C4'-P energy: -148.600 bonds (distance) P-C4' energy: -150.776 flat angles C4'-P-C4' energy: -139.070 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: -62.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1041.336100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.336100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.336100 (E_RNA) where: Base-Base interactions energy: -517.738 where: short stacking energy: -288.714 Base-Backbone interact. energy: 8.315 local terms energy: -531.913040 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -158.656 flat angles C4'-P-C4' energy: -141.987 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -16.864 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: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -724.454266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.454266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.454266 (E_RNA) where: Base-Base interactions energy: -262.005 where: short stacking energy: -221.292 Base-Backbone interact. energy: 1.051 local terms energy: -463.500263 where: bonds (distance) C4'-P energy: -159.654 bonds (distance) P-C4' energy: -130.707 flat angles C4'-P-C4' energy: -125.734 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: 29.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3062.257349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.257349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.257349 (E_RNA) where: Base-Base interactions energy: -2049.660 where: short stacking energy: -945.622 Base-Backbone interact. energy: -4.944 local terms energy: -1007.653349 where: bonds (distance) C4'-P energy: -179.003 bonds (distance) P-C4' energy: -175.384 flat angles C4'-P-C4' energy: -212.625 flat angles P-C4'-P energy: -159.605 tors. eta vs tors. theta energy: -281.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2799.730910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.730910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.730910 (E_RNA) where: Base-Base interactions energy: -1865.569 where: short stacking energy: -858.841 Base-Backbone interact. energy: -1.285 local terms energy: -932.876386 where: bonds (distance) C4'-P energy: -180.793 bonds (distance) P-C4' energy: -190.845 flat angles C4'-P-C4' energy: -192.874 flat angles P-C4'-P energy: -124.162 tors. eta vs tors. theta energy: -244.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2673.768392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.768392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.768392 (E_RNA) where: Base-Base interactions energy: -1783.520 where: short stacking energy: -842.481 Base-Backbone interact. energy: -4.168 local terms energy: -886.079890 where: bonds (distance) C4'-P energy: -170.133 bonds (distance) P-C4' energy: -161.669 flat angles C4'-P-C4' energy: -200.517 flat angles P-C4'-P energy: -128.547 tors. eta vs tors. theta energy: -225.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2450.114832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.114832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.114832 (E_RNA) where: Base-Base interactions energy: -1625.937 where: short stacking energy: -755.269 Base-Backbone interact. energy: -0.631 local terms energy: -823.547447 where: bonds (distance) C4'-P energy: -161.337 bonds (distance) P-C4' energy: -165.713 flat angles C4'-P-C4' energy: -184.943 flat angles P-C4'-P energy: -118.842 tors. eta vs tors. theta energy: -192.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2195.503656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.503656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.503656 (E_RNA) where: Base-Base interactions energy: -1407.281 where: short stacking energy: -651.026 Base-Backbone interact. energy: -1.425 local terms energy: -786.798569 where: bonds (distance) C4'-P energy: -157.335 bonds (distance) P-C4' energy: -182.291 flat angles C4'-P-C4' energy: -167.877 flat angles P-C4'-P energy: -112.472 tors. eta vs tors. theta energy: -166.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1978.678168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.678168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.678168 (E_RNA) where: Base-Base interactions energy: -1259.188 where: short stacking energy: -584.856 Base-Backbone interact. energy: 5.603 local terms energy: -725.093708 where: bonds (distance) C4'-P energy: -149.815 bonds (distance) P-C4' energy: -167.028 flat angles C4'-P-C4' energy: -163.213 flat angles P-C4'-P energy: -109.471 tors. eta vs tors. theta energy: -135.567 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: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1657.379507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.379507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.379507 (E_RNA) where: Base-Base interactions energy: -984.135 where: short stacking energy: -493.419 Base-Backbone interact. energy: 0.359 local terms energy: -673.603129 where: bonds (distance) C4'-P energy: -144.854 bonds (distance) P-C4' energy: -155.068 flat angles C4'-P-C4' energy: -164.642 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -115.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1386.501557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.501557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.501557 (E_RNA) where: Base-Base interactions energy: -766.528 where: short stacking energy: -381.692 Base-Backbone interact. energy: 2.929 local terms energy: -622.903138 where: bonds (distance) C4'-P energy: -164.504 bonds (distance) P-C4' energy: -171.931 flat angles C4'-P-C4' energy: -144.286 flat angles P-C4'-P energy: -88.580 tors. eta vs tors. theta energy: -53.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1043.572504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.572504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.572504 (E_RNA) where: Base-Base interactions energy: -553.963 where: short stacking energy: -328.835 Base-Backbone interact. energy: -3.114 local terms energy: -486.495349 where: bonds (distance) C4'-P energy: -120.763 bonds (distance) P-C4' energy: -146.070 flat angles C4'-P-C4' energy: -119.599 flat angles P-C4'-P energy: -84.239 tors. eta vs tors. theta energy: -15.824 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: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -691.461635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.461635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.461635 (E_RNA) where: Base-Base interactions energy: -217.257 where: short stacking energy: -182.478 Base-Backbone interact. energy: -0.745 local terms energy: -473.460157 where: bonds (distance) C4'-P energy: -144.645 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -120.930 flat angles P-C4'-P energy: -94.875 tors. eta vs tors. theta energy: 32.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -3080.303228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.303228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.303228 (E_RNA) where: Base-Base interactions energy: -2089.254 where: short stacking energy: -977.281 Base-Backbone interact. energy: -3.736 local terms energy: -987.312635 where: bonds (distance) C4'-P energy: -168.517 bonds (distance) P-C4' energy: -184.481 flat angles C4'-P-C4' energy: -216.057 flat angles P-C4'-P energy: -141.507 tors. eta vs tors. theta energy: -276.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2791.698864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.698864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.698864 (E_RNA) where: Base-Base interactions energy: -1839.720 where: short stacking energy: -877.684 Base-Backbone interact. energy: -4.765 local terms energy: -947.213533 where: bonds (distance) C4'-P energy: -180.387 bonds (distance) P-C4' energy: -181.775 flat angles C4'-P-C4' energy: -198.315 flat angles P-C4'-P energy: -143.281 tors. eta vs tors. theta energy: -243.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2721.087563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.087563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.087563 (E_RNA) where: Base-Base interactions energy: -1830.852 where: short stacking energy: -832.725 Base-Backbone interact. energy: -0.970 local terms energy: -889.265380 where: bonds (distance) C4'-P energy: -161.275 bonds (distance) P-C4' energy: -181.966 flat angles C4'-P-C4' energy: -204.224 flat angles P-C4'-P energy: -120.726 tors. eta vs tors. theta energy: -221.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2473.224687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.224687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.224687 (E_RNA) where: Base-Base interactions energy: -1635.298 where: short stacking energy: -756.743 Base-Backbone interact. energy: -1.880 local terms energy: -836.046574 where: bonds (distance) C4'-P energy: -182.081 bonds (distance) P-C4' energy: -150.777 flat angles C4'-P-C4' energy: -175.290 flat angles P-C4'-P energy: -121.105 tors. eta vs tors. theta energy: -206.793 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: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2225.924688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.924688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.924688 (E_RNA) where: Base-Base interactions energy: -1441.489 where: short stacking energy: -689.374 Base-Backbone interact. energy: -0.900 local terms energy: -783.535058 where: bonds (distance) C4'-P energy: -163.731 bonds (distance) P-C4' energy: -163.928 flat angles C4'-P-C4' energy: -183.009 flat angles P-C4'-P energy: -88.383 tors. eta vs tors. theta energy: -184.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2074.538986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.538986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.538986 (E_RNA) where: Base-Base interactions energy: -1307.808 where: short stacking energy: -632.354 Base-Backbone interact. energy: -3.482 local terms energy: -763.249286 where: bonds (distance) C4'-P energy: -149.719 bonds (distance) P-C4' energy: -161.397 flat angles C4'-P-C4' energy: -177.479 flat angles P-C4'-P energy: -110.988 tors. eta vs tors. theta energy: -163.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1624.009435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.009435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.009435 (E_RNA) where: Base-Base interactions energy: -974.105 where: short stacking energy: -491.192 Base-Backbone interact. energy: 3.141 local terms energy: -653.046281 where: bonds (distance) C4'-P energy: -149.501 bonds (distance) P-C4' energy: -169.750 flat angles C4'-P-C4' energy: -150.983 flat angles P-C4'-P energy: -96.716 tors. eta vs tors. theta energy: -86.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1397.182734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.182734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.182734 (E_RNA) where: Base-Base interactions energy: -793.337 where: short stacking energy: -412.358 Base-Backbone interact. energy: -1.301 local terms energy: -602.544424 where: bonds (distance) C4'-P energy: -158.937 bonds (distance) P-C4' energy: -170.089 flat angles C4'-P-C4' energy: -134.130 flat angles P-C4'-P energy: -77.793 tors. eta vs tors. theta energy: -61.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1054.010776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.010776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.010776 (E_RNA) where: Base-Base interactions energy: -527.680 where: short stacking energy: -322.475 Base-Backbone interact. energy: -1.192 local terms energy: -525.138396 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -137.437 flat angles C4'-P-C4' energy: -124.501 flat angles P-C4'-P energy: -88.971 tors. eta vs tors. theta energy: -25.772 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: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -683.718655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.718655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.718655 (E_RNA) where: Base-Base interactions energy: -199.516 where: short stacking energy: -174.459 Base-Backbone interact. energy: -2.613 local terms energy: -481.589333 where: bonds (distance) C4'-P energy: -171.458 bonds (distance) P-C4' energy: -161.450 flat angles C4'-P-C4' energy: -136.237 flat angles P-C4'-P energy: -54.743 tors. eta vs tors. theta energy: 42.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3050.311744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.311744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.311744 (E_RNA) where: Base-Base interactions energy: -2068.120 where: short stacking energy: -916.660 Base-Backbone interact. energy: -4.806 local terms energy: -977.385400 where: bonds (distance) C4'-P energy: -176.557 bonds (distance) P-C4' energy: -176.027 flat angles C4'-P-C4' energy: -204.532 flat angles P-C4'-P energy: -159.748 tors. eta vs tors. theta energy: -260.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2799.577022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.577022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.577022 (E_RNA) where: Base-Base interactions energy: -1868.399 where: short stacking energy: -876.426 Base-Backbone interact. energy: -6.287 local terms energy: -924.891365 where: bonds (distance) C4'-P energy: -172.873 bonds (distance) P-C4' energy: -173.921 flat angles C4'-P-C4' energy: -201.351 flat angles P-C4'-P energy: -132.864 tors. eta vs tors. theta energy: -243.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2673.188396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.188396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.188396 (E_RNA) where: Base-Base interactions energy: -1813.407 where: short stacking energy: -817.696 Base-Backbone interact. energy: -3.400 local terms energy: -856.381002 where: bonds (distance) C4'-P energy: -175.024 bonds (distance) P-C4' energy: -177.956 flat angles C4'-P-C4' energy: -184.546 flat angles P-C4'-P energy: -110.013 tors. eta vs tors. theta energy: -208.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2472.391180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.391180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.391180 (E_RNA) where: Base-Base interactions energy: -1610.164 where: short stacking energy: -796.799 Base-Backbone interact. energy: 3.345 local terms energy: -865.572055 where: bonds (distance) C4'-P energy: -157.727 bonds (distance) P-C4' energy: -183.529 flat angles C4'-P-C4' energy: -181.935 flat angles P-C4'-P energy: -119.731 tors. eta vs tors. theta energy: -222.650 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: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2209.923924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.923924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.923924 (E_RNA) where: Base-Base interactions energy: -1417.184 where: short stacking energy: -662.283 Base-Backbone interact. energy: -5.042 local terms energy: -787.697616 where: bonds (distance) C4'-P energy: -153.636 bonds (distance) P-C4' energy: -167.656 flat angles C4'-P-C4' energy: -175.665 flat angles P-C4'-P energy: -117.974 tors. eta vs tors. theta energy: -172.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2008.854204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.854204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.854204 (E_RNA) where: Base-Base interactions energy: -1258.424 where: short stacking energy: -613.423 Base-Backbone interact. energy: 6.535 local terms energy: -756.965129 where: bonds (distance) C4'-P energy: -148.076 bonds (distance) P-C4' energy: -155.533 flat angles C4'-P-C4' energy: -178.600 flat angles P-C4'-P energy: -108.417 tors. eta vs tors. theta energy: -166.340 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: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1636.653352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.653352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.653352 (E_RNA) where: Base-Base interactions energy: -977.376 where: short stacking energy: -499.495 Base-Backbone interact. energy: -0.995 local terms energy: -658.282842 where: bonds (distance) C4'-P energy: -158.736 bonds (distance) P-C4' energy: -167.780 flat angles C4'-P-C4' energy: -166.055 flat angles P-C4'-P energy: -69.167 tors. eta vs tors. theta energy: -96.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1460.701085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.701085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.701085 (E_RNA) where: Base-Base interactions energy: -848.644 where: short stacking energy: -401.311 Base-Backbone interact. energy: 1.825 local terms energy: -613.882167 where: bonds (distance) C4'-P energy: -156.070 bonds (distance) P-C4' energy: -147.299 flat angles C4'-P-C4' energy: -147.532 flat angles P-C4'-P energy: -100.406 tors. eta vs tors. theta energy: -62.575 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: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1000.112637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.112637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.112637 (E_RNA) where: Base-Base interactions energy: -488.416 where: short stacking energy: -299.322 Base-Backbone interact. energy: 6.848 local terms energy: -518.544219 where: bonds (distance) C4'-P energy: -144.443 bonds (distance) P-C4' energy: -153.086 flat angles C4'-P-C4' energy: -146.509 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: -9.844 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: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -773.489629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.489629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.489629 (E_RNA) where: Base-Base interactions energy: -306.420 where: short stacking energy: -261.882 Base-Backbone interact. energy: 2.714 local terms energy: -469.784346 where: bonds (distance) C4'-P energy: -130.535 bonds (distance) P-C4' energy: -150.478 flat angles C4'-P-C4' energy: -127.236 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: 9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3091.271881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.271881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.271881 (E_RNA) where: Base-Base interactions energy: -2095.909 where: short stacking energy: -931.745 Base-Backbone interact. energy: -2.017 local terms energy: -993.345600 where: bonds (distance) C4'-P energy: -185.633 bonds (distance) P-C4' energy: -174.524 flat angles C4'-P-C4' energy: -211.968 flat angles P-C4'-P energy: -149.932 tors. eta vs tors. theta energy: -271.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2764.214865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.214865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.214865 (E_RNA) where: Base-Base interactions energy: -1822.893 where: short stacking energy: -871.421 Base-Backbone interact. energy: -3.720 local terms energy: -937.602157 where: bonds (distance) C4'-P energy: -157.236 bonds (distance) P-C4' energy: -200.089 flat angles C4'-P-C4' energy: -193.235 flat angles P-C4'-P energy: -137.283 tors. eta vs tors. theta energy: -249.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2659.578127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.578127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.578127 (E_RNA) where: Base-Base interactions energy: -1770.310 where: short stacking energy: -804.634 Base-Backbone interact. energy: -3.064 local terms energy: -886.203634 where: bonds (distance) C4'-P energy: -180.113 bonds (distance) P-C4' energy: -183.470 flat angles C4'-P-C4' energy: -194.148 flat angles P-C4'-P energy: -120.005 tors. eta vs tors. theta energy: -208.468 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: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2445.325362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.325362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.325362 (E_RNA) where: Base-Base interactions energy: -1575.231 where: short stacking energy: -733.513 Base-Backbone interact. energy: -3.904 local terms energy: -866.190298 where: bonds (distance) C4'-P energy: -171.848 bonds (distance) P-C4' energy: -181.886 flat angles C4'-P-C4' energy: -198.078 flat angles P-C4'-P energy: -115.906 tors. eta vs tors. theta energy: -198.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2197.112017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.112017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.112017 (E_RNA) where: Base-Base interactions energy: -1415.470 where: short stacking energy: -661.001 Base-Backbone interact. energy: 2.551 local terms energy: -784.193726 where: bonds (distance) C4'-P energy: -169.394 bonds (distance) P-C4' energy: -173.503 flat angles C4'-P-C4' energy: -164.521 flat angles P-C4'-P energy: -109.272 tors. eta vs tors. theta energy: -167.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2080.526860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.526860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.526860 (E_RNA) where: Base-Base interactions energy: -1342.430 where: short stacking energy: -644.034 Base-Backbone interact. energy: -1.563 local terms energy: -736.533830 where: bonds (distance) C4'-P energy: -117.950 bonds (distance) P-C4' energy: -170.880 flat angles C4'-P-C4' energy: -178.368 flat angles P-C4'-P energy: -113.650 tors. eta vs tors. theta energy: -155.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1676.236996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.236996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.236996 (E_RNA) where: Base-Base interactions energy: -1022.830 where: short stacking energy: -505.243 Base-Backbone interact. energy: -3.179 local terms energy: -650.228798 where: bonds (distance) C4'-P energy: -151.111 bonds (distance) P-C4' energy: -154.571 flat angles C4'-P-C4' energy: -168.263 flat angles P-C4'-P energy: -93.053 tors. eta vs tors. theta energy: -83.232 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: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1447.992484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.992484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.992484 (E_RNA) where: Base-Base interactions energy: -849.766 where: short stacking energy: -428.519 Base-Backbone interact. energy: -3.584 local terms energy: -594.643139 where: bonds (distance) C4'-P energy: -145.409 bonds (distance) P-C4' energy: -161.676 flat angles C4'-P-C4' energy: -142.648 flat angles P-C4'-P energy: -74.524 tors. eta vs tors. theta energy: -70.386 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: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1002.977425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.977425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.977425 (E_RNA) where: Base-Base interactions energy: -529.090 where: short stacking energy: -298.046 Base-Backbone interact. energy: -1.683 local terms energy: -472.205142 where: bonds (distance) C4'-P energy: -136.430 bonds (distance) P-C4' energy: -153.932 flat angles C4'-P-C4' energy: -119.149 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: 17.621 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: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -729.846188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.846188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.846188 (E_RNA) where: Base-Base interactions energy: -249.931 where: short stacking energy: -206.506 Base-Backbone interact. energy: 6.991 local terms energy: -486.906650 where: bonds (distance) C4'-P energy: -153.186 bonds (distance) P-C4' energy: -155.474 flat angles C4'-P-C4' energy: -135.946 flat angles P-C4'-P energy: -78.350 tors. eta vs tors. theta energy: 36.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3037.742584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.742584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.742584 (E_RNA) where: Base-Base interactions energy: -2059.997 where: short stacking energy: -971.530 Base-Backbone interact. energy: -2.699 local terms energy: -975.046295 where: bonds (distance) C4'-P energy: -185.541 bonds (distance) P-C4' energy: -174.146 flat angles C4'-P-C4' energy: -210.016 flat angles P-C4'-P energy: -138.693 tors. eta vs tors. theta energy: -266.650 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: 97 Temperature: 0.950000 Total energy: -2790.775115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.775115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.775115 (E_RNA) where: Base-Base interactions energy: -1836.561 where: short stacking energy: -849.621 Base-Backbone interact. energy: -2.531 local terms energy: -951.683150 where: bonds (distance) C4'-P energy: -184.834 bonds (distance) P-C4' energy: -190.120 flat angles C4'-P-C4' energy: -198.874 flat angles P-C4'-P energy: -126.014 tors. eta vs tors. theta energy: -251.841 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: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2747.708856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.708856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.708856 (E_RNA) where: Base-Base interactions energy: -1841.757 where: short stacking energy: -797.883 Base-Backbone interact. energy: 0.659 local terms energy: -906.611661 where: bonds (distance) C4'-P energy: -176.815 bonds (distance) P-C4' energy: -176.081 flat angles C4'-P-C4' energy: -196.758 flat angles P-C4'-P energy: -130.388 tors. eta vs tors. theta energy: -226.571 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: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2453.569780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.569780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.569780 (E_RNA) where: Base-Base interactions energy: -1621.207 where: short stacking energy: -757.380 Base-Backbone interact. energy: -1.769 local terms energy: -830.593514 where: bonds (distance) C4'-P energy: -178.894 bonds (distance) P-C4' energy: -166.574 flat angles C4'-P-C4' energy: -169.322 flat angles P-C4'-P energy: -101.629 tors. eta vs tors. theta energy: -214.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2194.696396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.696396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.696396 (E_RNA) where: Base-Base interactions energy: -1432.745 where: short stacking energy: -674.765 Base-Backbone interact. energy: -6.225 local terms energy: -755.726024 where: bonds (distance) C4'-P energy: -149.457 bonds (distance) P-C4' energy: -167.562 flat angles C4'-P-C4' energy: -163.271 flat angles P-C4'-P energy: -101.479 tors. eta vs tors. theta energy: -173.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2056.717783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.717783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.717783 (E_RNA) where: Base-Base interactions energy: -1300.199 where: short stacking energy: -634.454 Base-Backbone interact. energy: 3.837 local terms energy: -760.355298 where: bonds (distance) C4'-P energy: -158.427 bonds (distance) P-C4' energy: -164.709 flat angles C4'-P-C4' energy: -166.256 flat angles P-C4'-P energy: -117.934 tors. eta vs tors. theta energy: -153.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1698.080516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.080516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.080516 (E_RNA) where: Base-Base interactions energy: -1023.194 where: short stacking energy: -506.630 Base-Backbone interact. energy: 3.343 local terms energy: -678.229498 where: bonds (distance) C4'-P energy: -157.230 bonds (distance) P-C4' energy: -166.711 flat angles C4'-P-C4' energy: -156.168 flat angles P-C4'-P energy: -90.048 tors. eta vs tors. theta energy: -108.072 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: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1427.283441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.283441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.283441 (E_RNA) where: Base-Base interactions energy: -833.083 where: short stacking energy: -416.380 Base-Backbone interact. energy: 6.734 local terms energy: -600.933843 where: bonds (distance) C4'-P energy: -145.587 bonds (distance) P-C4' energy: -165.109 flat angles C4'-P-C4' energy: -135.813 flat angles P-C4'-P energy: -97.536 tors. eta vs tors. theta energy: -56.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1012.061386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.061386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.061386 (E_RNA) where: Base-Base interactions energy: -473.208 where: short stacking energy: -292.812 Base-Backbone interact. energy: 0.476 local terms energy: -539.330045 where: bonds (distance) C4'-P energy: -140.143 bonds (distance) P-C4' energy: -162.114 flat angles C4'-P-C4' energy: -135.173 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: -13.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -660.588977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.588977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.588977 (E_RNA) where: Base-Base interactions energy: -233.024 where: short stacking energy: -197.117 Base-Backbone interact. energy: 1.975 local terms energy: -429.539586 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -142.683 flat angles C4'-P-C4' energy: -111.050 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: 30.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3013.078001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.078001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.078001 (E_RNA) where: Base-Base interactions energy: -2039.148 where: short stacking energy: -943.758 Base-Backbone interact. energy: 3.605 local terms energy: -977.534752 where: bonds (distance) C4'-P energy: -183.204 bonds (distance) P-C4' energy: -181.170 flat angles C4'-P-C4' energy: -206.629 flat angles P-C4'-P energy: -132.000 tors. eta vs tors. theta energy: -274.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2788.135645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.135645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.135645 (E_RNA) where: Base-Base interactions energy: -1853.684 where: short stacking energy: -879.725 Base-Backbone interact. energy: -3.603 local terms energy: -930.848671 where: bonds (distance) C4'-P energy: -176.080 bonds (distance) P-C4' energy: -176.693 flat angles C4'-P-C4' energy: -201.083 flat angles P-C4'-P energy: -127.966 tors. eta vs tors. theta energy: -249.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2769.216182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.216182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.216182 (E_RNA) where: Base-Base interactions energy: -1851.384 where: short stacking energy: -850.477 Base-Backbone interact. energy: -5.686 local terms energy: -912.146028 where: bonds (distance) C4'-P energy: -163.116 bonds (distance) P-C4' energy: -168.464 flat angles C4'-P-C4' energy: -197.153 flat angles P-C4'-P energy: -135.028 tors. eta vs tors. theta energy: -248.386 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: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2467.580804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.580804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.580804 (E_RNA) where: Base-Base interactions energy: -1615.270 where: short stacking energy: -764.830 Base-Backbone interact. energy: -3.979 local terms energy: -848.332024 where: bonds (distance) C4'-P energy: -167.164 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -196.279 flat angles P-C4'-P energy: -111.960 tors. eta vs tors. theta energy: -206.703 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: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2165.470841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.470841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.470841 (E_RNA) where: Base-Base interactions energy: -1397.195 where: short stacking energy: -649.325 Base-Backbone interact. energy: -0.734 local terms energy: -767.542081 where: bonds (distance) C4'-P energy: -148.404 bonds (distance) P-C4' energy: -168.609 flat angles C4'-P-C4' energy: -178.555 flat angles P-C4'-P energy: -113.934 tors. eta vs tors. theta energy: -158.041 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: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2003.649957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.649957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.649957 (E_RNA) where: Base-Base interactions energy: -1270.928 where: short stacking energy: -617.572 Base-Backbone interact. energy: -1.736 local terms energy: -730.986634 where: bonds (distance) C4'-P energy: -164.823 bonds (distance) P-C4' energy: -146.162 flat angles C4'-P-C4' energy: -154.987 flat angles P-C4'-P energy: -116.853 tors. eta vs tors. theta energy: -148.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1694.041903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.041903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.041903 (E_RNA) where: Base-Base interactions energy: -1057.163 where: short stacking energy: -507.371 Base-Backbone interact. energy: -5.703 local terms energy: -631.175991 where: bonds (distance) C4'-P energy: -152.008 bonds (distance) P-C4' energy: -161.655 flat angles C4'-P-C4' energy: -137.293 flat angles P-C4'-P energy: -84.509 tors. eta vs tors. theta energy: -95.710 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: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1419.177874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.177874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.177874 (E_RNA) where: Base-Base interactions energy: -804.145 where: short stacking energy: -391.193 Base-Backbone interact. energy: 1.135 local terms energy: -616.167792 where: bonds (distance) C4'-P energy: -164.260 bonds (distance) P-C4' energy: -153.631 flat angles C4'-P-C4' energy: -149.156 flat angles P-C4'-P energy: -93.006 tors. eta vs tors. theta energy: -56.115 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: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -971.152798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.152798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.152798 (E_RNA) where: Base-Base interactions energy: -461.041 where: short stacking energy: -304.589 Base-Backbone interact. energy: -1.145 local terms energy: -508.967083 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -154.182 flat angles C4'-P-C4' energy: -117.497 flat angles P-C4'-P energy: -69.340 tors. eta vs tors. theta energy: -18.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -702.044544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.044544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.044544 (E_RNA) where: Base-Base interactions energy: -246.415 where: short stacking energy: -201.174 Base-Backbone interact. energy: 9.101 local terms energy: -464.730627 where: bonds (distance) C4'-P energy: -131.682 bonds (distance) P-C4' energy: -172.512 flat angles C4'-P-C4' energy: -121.447 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: 33.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3078.048485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.048485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.048485 (E_RNA) where: Base-Base interactions energy: -2078.413 where: short stacking energy: -956.999 Base-Backbone interact. energy: -2.832 local terms energy: -996.803312 where: bonds (distance) C4'-P energy: -178.564 bonds (distance) P-C4' energy: -188.492 flat angles C4'-P-C4' energy: -199.736 flat angles P-C4'-P energy: -142.478 tors. eta vs tors. theta energy: -287.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2775.189411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.189411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.189411 (E_RNA) where: Base-Base interactions energy: -1858.208 where: short stacking energy: -863.273 Base-Backbone interact. energy: -3.853 local terms energy: -913.128891 where: bonds (distance) C4'-P energy: -169.257 bonds (distance) P-C4' energy: -192.643 flat angles C4'-P-C4' energy: -187.509 flat angles P-C4'-P energy: -124.514 tors. eta vs tors. theta energy: -239.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2764.431555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.431555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.431555 (E_RNA) where: Base-Base interactions energy: -1904.891 where: short stacking energy: -830.191 Base-Backbone interact. energy: -2.540 local terms energy: -857.000148 where: bonds (distance) C4'-P energy: -166.774 bonds (distance) P-C4' energy: -163.528 flat angles C4'-P-C4' energy: -192.555 flat angles P-C4'-P energy: -108.984 tors. eta vs tors. theta energy: -225.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2467.682616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.682616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.682616 (E_RNA) where: Base-Base interactions energy: -1603.392 where: short stacking energy: -747.814 Base-Backbone interact. energy: -3.415 local terms energy: -860.876262 where: bonds (distance) C4'-P energy: -144.982 bonds (distance) P-C4' energy: -193.461 flat angles C4'-P-C4' energy: -188.200 flat angles P-C4'-P energy: -122.935 tors. eta vs tors. theta energy: -211.298 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: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2119.189529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.189529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.189529 (E_RNA) where: Base-Base interactions energy: -1328.577 where: short stacking energy: -619.051 Base-Backbone interact. energy: -0.183 local terms energy: -790.429894 where: bonds (distance) C4'-P energy: -167.786 bonds (distance) P-C4' energy: -176.041 flat angles C4'-P-C4' energy: -180.305 flat angles P-C4'-P energy: -103.996 tors. eta vs tors. theta energy: -162.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2058.773544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.773544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.773544 (E_RNA) where: Base-Base interactions energy: -1318.493 where: short stacking energy: -623.547 Base-Backbone interact. energy: 0.450 local terms energy: -740.730300 where: bonds (distance) C4'-P energy: -147.483 bonds (distance) P-C4' energy: -165.640 flat angles C4'-P-C4' energy: -176.375 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -148.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1690.815526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.815526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.815526 (E_RNA) where: Base-Base interactions energy: -1049.569 where: short stacking energy: -487.308 Base-Backbone interact. energy: 6.637 local terms energy: -647.883461 where: bonds (distance) C4'-P energy: -141.812 bonds (distance) P-C4' energy: -149.744 flat angles C4'-P-C4' energy: -177.074 flat angles P-C4'-P energy: -77.298 tors. eta vs tors. theta energy: -101.956 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: 8, replica: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1422.267451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.267451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.267451 (E_RNA) where: Base-Base interactions energy: -838.434 where: short stacking energy: -417.616 Base-Backbone interact. energy: 1.424 local terms energy: -585.257396 where: bonds (distance) C4'-P energy: -150.229 bonds (distance) P-C4' energy: -151.366 flat angles C4'-P-C4' energy: -135.971 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -55.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -980.522568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.522568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.522568 (E_RNA) where: Base-Base interactions energy: -477.161 where: short stacking energy: -281.640 Base-Backbone interact. energy: 7.139 local terms energy: -510.501037 where: bonds (distance) C4'-P energy: -150.965 bonds (distance) P-C4' energy: -161.949 flat angles C4'-P-C4' energy: -130.433 flat angles P-C4'-P energy: -70.363 tors. eta vs tors. theta energy: 3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -703.072361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.072361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.072361 (E_RNA) where: Base-Base interactions energy: -246.434 where: short stacking energy: -199.138 Base-Backbone interact. energy: 0.466 local terms energy: -457.104863 where: bonds (distance) C4'-P energy: -156.713 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -89.458 flat angles P-C4'-P energy: -84.446 tors. eta vs tors. theta energy: 35.570 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3051.462090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.462090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.462090 (E_RNA) where: Base-Base interactions energy: -2041.060 where: short stacking energy: -935.538 Base-Backbone interact. energy: -3.313 local terms energy: -1007.089567 where: bonds (distance) C4'-P energy: -190.765 bonds (distance) P-C4' energy: -187.773 flat angles C4'-P-C4' energy: -208.093 flat angles P-C4'-P energy: -133.738 tors. eta vs tors. theta energy: -286.721 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: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2804.882247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.882247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.882247 (E_RNA) where: Base-Base interactions energy: -1842.902 where: short stacking energy: -863.624 Base-Backbone interact. energy: -1.339 local terms energy: -960.640964 where: bonds (distance) C4'-P energy: -185.658 bonds (distance) P-C4' energy: -179.700 flat angles C4'-P-C4' energy: -214.109 flat angles P-C4'-P energy: -132.199 tors. eta vs tors. theta energy: -248.974 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: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2789.737703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.737703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.737703 (E_RNA) where: Base-Base interactions energy: -1906.827 where: short stacking energy: -840.298 Base-Backbone interact. energy: -6.484 local terms energy: -876.426858 where: bonds (distance) C4'-P energy: -163.604 bonds (distance) P-C4' energy: -167.498 flat angles C4'-P-C4' energy: -203.170 flat angles P-C4'-P energy: -116.178 tors. eta vs tors. theta energy: -225.976 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: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2465.680524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.680524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.680524 (E_RNA) where: Base-Base interactions energy: -1632.887 where: short stacking energy: -784.757 Base-Backbone interact. energy: -3.838 local terms energy: -828.955445 where: bonds (distance) C4'-P energy: -151.401 bonds (distance) P-C4' energy: -163.957 flat angles C4'-P-C4' energy: -182.366 flat angles P-C4'-P energy: -119.527 tors. eta vs tors. theta energy: -211.706 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: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2132.055502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.055502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.055502 (E_RNA) where: Base-Base interactions energy: -1372.793 where: short stacking energy: -625.574 Base-Backbone interact. energy: 1.074 local terms energy: -760.336761 where: bonds (distance) C4'-P energy: -158.177 bonds (distance) P-C4' energy: -149.888 flat angles C4'-P-C4' energy: -193.353 flat angles P-C4'-P energy: -107.612 tors. eta vs tors. theta energy: -151.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2061.572461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.572461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.572461 (E_RNA) where: Base-Base interactions energy: -1339.636 where: short stacking energy: -647.834 Base-Backbone interact. energy: -0.258 local terms energy: -721.678331 where: bonds (distance) C4'-P energy: -142.277 bonds (distance) P-C4' energy: -161.815 flat angles C4'-P-C4' energy: -160.395 flat angles P-C4'-P energy: -115.591 tors. eta vs tors. theta energy: -141.599 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: 1 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1688.873552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.873552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.873552 (E_RNA) where: Base-Base interactions energy: -1029.268 where: short stacking energy: -472.833 Base-Backbone interact. energy: -3.847 local terms energy: -655.758658 where: bonds (distance) C4'-P energy: -170.301 bonds (distance) P-C4' energy: -164.145 flat angles C4'-P-C4' energy: -147.414 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -74.693 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: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1470.283752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.283752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.283752 (E_RNA) where: Base-Base interactions energy: -893.995 where: short stacking energy: -436.164 Base-Backbone interact. energy: -0.015 local terms energy: -576.274081 where: bonds (distance) C4'-P energy: -130.357 bonds (distance) P-C4' energy: -153.846 flat angles C4'-P-C4' energy: -134.055 flat angles P-C4'-P energy: -78.627 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: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -978.978206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.978206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.978206 (E_RNA) where: Base-Base interactions energy: -457.434 where: short stacking energy: -282.983 Base-Backbone interact. energy: -1.057 local terms energy: -520.487776 where: bonds (distance) C4'-P energy: -155.767 bonds (distance) P-C4' energy: -159.315 flat angles C4'-P-C4' energy: -124.868 flat angles P-C4'-P energy: -83.623 tors. eta vs tors. theta energy: 3.085 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: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -710.844152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.844152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.844152 (E_RNA) where: Base-Base interactions energy: -266.839 where: short stacking energy: -214.519 Base-Backbone interact. energy: 4.045 local terms energy: -448.049767 where: bonds (distance) C4'-P energy: -146.387 bonds (distance) P-C4' energy: -141.646 flat angles C4'-P-C4' energy: -133.336 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: 29.970 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: 101 Temperature: 0.900000 Total energy: -3064.942690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.942690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.942690 (E_RNA) where: Base-Base interactions energy: -2040.986 where: short stacking energy: -945.028 Base-Backbone interact. energy: -0.227 local terms energy: -1023.730218 where: bonds (distance) C4'-P energy: -194.888 bonds (distance) P-C4' energy: -172.164 flat angles C4'-P-C4' energy: -223.557 flat angles P-C4'-P energy: -156.209 tors. eta vs tors. theta energy: -276.912 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: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2848.367037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.367037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.367037 (E_RNA) where: Base-Base interactions energy: -1925.037 where: short stacking energy: -872.701 Base-Backbone interact. energy: -3.620 local terms energy: -919.709727 where: bonds (distance) C4'-P energy: -180.615 bonds (distance) P-C4' energy: -184.957 flat angles C4'-P-C4' energy: -199.310 flat angles P-C4'-P energy: -118.514 tors. eta vs tors. theta energy: -236.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2740.807733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.807733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.807733 (E_RNA) where: Base-Base interactions energy: -1794.844 where: short stacking energy: -834.109 Base-Backbone interact. energy: -3.818 local terms energy: -942.145773 where: bonds (distance) C4'-P energy: -190.209 bonds (distance) P-C4' energy: -184.139 flat angles C4'-P-C4' energy: -200.539 flat angles P-C4'-P energy: -131.615 tors. eta vs tors. theta energy: -235.644 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2486.781953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.781953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.781953 (E_RNA) where: Base-Base interactions energy: -1637.772 where: short stacking energy: -743.683 Base-Backbone interact. energy: -2.631 local terms energy: -846.379539 where: bonds (distance) C4'-P energy: -178.704 bonds (distance) P-C4' energy: -171.747 flat angles C4'-P-C4' energy: -171.725 flat angles P-C4'-P energy: -121.140 tors. eta vs tors. theta energy: -203.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2109.964451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.964451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.964451 (E_RNA) where: Base-Base interactions energy: -1328.652 where: short stacking energy: -640.505 Base-Backbone interact. energy: -5.708 local terms energy: -775.604432 where: bonds (distance) C4'-P energy: -148.705 bonds (distance) P-C4' energy: -167.467 flat angles C4'-P-C4' energy: -183.745 flat angles P-C4'-P energy: -105.062 tors. eta vs tors. theta energy: -170.625 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: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2152.601163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.601163 (E_RNA) where: Base-Base interactions energy: -1366.666 where: short stacking energy: -639.825 Base-Backbone interact. energy: -2.424 local terms energy: -783.511727 where: bonds (distance) C4'-P energy: -176.792 bonds (distance) P-C4' energy: -165.325 flat angles C4'-P-C4' energy: -158.399 flat angles P-C4'-P energy: -115.110 tors. eta vs tors. theta energy: -167.885 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: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1711.749754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.749754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.749754 (E_RNA) where: Base-Base interactions energy: -1053.169 where: short stacking energy: -510.693 Base-Backbone interact. energy: -3.119 local terms energy: -655.461406 where: bonds (distance) C4'-P energy: -136.591 bonds (distance) P-C4' energy: -175.222 flat angles C4'-P-C4' energy: -170.572 flat angles P-C4'-P energy: -79.894 tors. eta vs tors. theta energy: -93.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1543.551069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.551069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.551069 (E_RNA) where: Base-Base interactions energy: -923.463 where: short stacking energy: -474.188 Base-Backbone interact. energy: -1.133 local terms energy: -618.955340 where: bonds (distance) C4'-P energy: -147.274 bonds (distance) P-C4' energy: -148.159 flat angles C4'-P-C4' energy: -151.275 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -77.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1006.577785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.577785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.577785 (E_RNA) where: Base-Base interactions energy: -483.704 where: short stacking energy: -287.772 Base-Backbone interact. energy: -2.662 local terms energy: -520.211641 where: bonds (distance) C4'-P energy: -142.135 bonds (distance) P-C4' energy: -148.041 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -93.679 tors. eta vs tors. theta energy: 0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -728.060561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.060561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.060561 (E_RNA) where: Base-Base interactions energy: -295.731 where: short stacking energy: -250.216 Base-Backbone interact. energy: 4.483 local terms energy: -436.812583 where: bonds (distance) C4'-P energy: -143.451 bonds (distance) P-C4' energy: -147.078 flat angles C4'-P-C4' energy: -132.569 flat angles P-C4'-P energy: -52.140 tors. eta vs tors. theta energy: 38.426 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: 102 Temperature: 0.900000 Total energy: -3011.605151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.605151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.605151 (E_RNA) where: Base-Base interactions energy: -2020.488 where: short stacking energy: -919.203 Base-Backbone interact. energy: 2.175 local terms energy: -993.291628 where: bonds (distance) C4'-P energy: -197.372 bonds (distance) P-C4' energy: -179.772 flat angles C4'-P-C4' energy: -201.722 flat angles P-C4'-P energy: -144.955 tors. eta vs tors. theta energy: -269.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2863.553187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.553187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.553187 (E_RNA) where: Base-Base interactions energy: -1912.972 where: short stacking energy: -841.146 Base-Backbone interact. energy: -3.329 local terms energy: -947.252558 where: bonds (distance) C4'-P energy: -178.510 bonds (distance) P-C4' energy: -194.361 flat angles C4'-P-C4' energy: -206.026 flat angles P-C4'-P energy: -143.269 tors. eta vs tors. theta energy: -225.087 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: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2697.835468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.835468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.835468 (E_RNA) where: Base-Base interactions energy: -1763.974 where: short stacking energy: -800.879 Base-Backbone interact. energy: -0.170 local terms energy: -933.691133 where: bonds (distance) C4'-P energy: -171.911 bonds (distance) P-C4' energy: -177.021 flat angles C4'-P-C4' energy: -203.796 flat angles P-C4'-P energy: -138.688 tors. eta vs tors. theta energy: -242.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2490.447988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.447988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.447988 (E_RNA) where: Base-Base interactions energy: -1630.161 where: short stacking energy: -799.090 Base-Backbone interact. energy: -2.992 local terms energy: -857.295184 where: bonds (distance) C4'-P energy: -157.721 bonds (distance) P-C4' energy: -181.430 flat angles C4'-P-C4' energy: -179.004 flat angles P-C4'-P energy: -115.686 tors. eta vs tors. theta energy: -223.453 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: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2260.072292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.072292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.072292 (E_RNA) where: Base-Base interactions energy: -1461.264 where: short stacking energy: -698.394 Base-Backbone interact. energy: -0.094 local terms energy: -798.713708 where: bonds (distance) C4'-P energy: -157.744 bonds (distance) P-C4' energy: -153.588 flat angles C4'-P-C4' energy: -183.073 flat angles P-C4'-P energy: -121.346 tors. eta vs tors. theta energy: -182.963 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: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2110.776997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.776997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.776997 (E_RNA) where: Base-Base interactions energy: -1349.503 where: short stacking energy: -621.774 Base-Backbone interact. energy: -3.507 local terms energy: -757.767172 where: bonds (distance) C4'-P energy: -156.029 bonds (distance) P-C4' energy: -163.730 flat angles C4'-P-C4' energy: -154.351 flat angles P-C4'-P energy: -111.750 tors. eta vs tors. theta energy: -171.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1639.529963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.529963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.529963 (E_RNA) where: Base-Base interactions energy: -1000.376 where: short stacking energy: -494.752 Base-Backbone interact. energy: 2.123 local terms energy: -641.276155 where: bonds (distance) C4'-P energy: -148.245 bonds (distance) P-C4' energy: -158.111 flat angles C4'-P-C4' energy: -144.062 flat angles P-C4'-P energy: -96.493 tors. eta vs tors. theta energy: -94.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1576.180428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.180428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.180428 (E_RNA) where: Base-Base interactions energy: -945.066 where: short stacking energy: -480.770 Base-Backbone interact. energy: -1.098 local terms energy: -630.016983 where: bonds (distance) C4'-P energy: -154.232 bonds (distance) P-C4' energy: -163.268 flat angles C4'-P-C4' energy: -140.630 flat angles P-C4'-P energy: -77.315 tors. eta vs tors. theta energy: -94.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1029.819987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.819987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.819987 (E_RNA) where: Base-Base interactions energy: -479.861 where: short stacking energy: -302.636 Base-Backbone interact. energy: -1.338 local terms energy: -548.620462 where: bonds (distance) C4'-P energy: -155.559 bonds (distance) P-C4' energy: -162.891 flat angles C4'-P-C4' energy: -133.111 flat angles P-C4'-P energy: -78.741 tors. eta vs tors. theta energy: -18.318 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: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -672.908743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.908743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.908743 (E_RNA) where: Base-Base interactions energy: -257.554 where: short stacking energy: -214.960 Base-Backbone interact. energy: 1.576 local terms energy: -416.930326 where: bonds (distance) C4'-P energy: -132.444 bonds (distance) P-C4' energy: -141.806 flat angles C4'-P-C4' energy: -113.241 flat angles P-C4'-P energy: -62.635 tors. eta vs tors. theta energy: 33.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3034.053723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.053723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.053723 (E_RNA) where: Base-Base interactions energy: -2055.234 where: short stacking energy: -947.609 Base-Backbone interact. energy: -2.084 local terms energy: -976.735995 where: bonds (distance) C4'-P energy: -181.751 bonds (distance) P-C4' energy: -180.558 flat angles C4'-P-C4' energy: -212.316 flat angles P-C4'-P energy: -137.888 tors. eta vs tors. theta energy: -264.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2841.971306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.971306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.971306 (E_RNA) where: Base-Base interactions energy: -1914.507 where: short stacking energy: -849.174 Base-Backbone interact. energy: -5.740 local terms energy: -921.724984 where: bonds (distance) C4'-P energy: -174.131 bonds (distance) P-C4' energy: -190.348 flat angles C4'-P-C4' energy: -190.785 flat angles P-C4'-P energy: -143.806 tors. eta vs tors. theta energy: -222.655 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: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2727.368474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.368474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.368474 (E_RNA) where: Base-Base interactions energy: -1782.911 where: short stacking energy: -840.175 Base-Backbone interact. energy: -3.590 local terms energy: -940.867405 where: bonds (distance) C4'-P energy: -170.859 bonds (distance) P-C4' energy: -189.446 flat angles C4'-P-C4' energy: -200.779 flat angles P-C4'-P energy: -133.440 tors. eta vs tors. theta energy: -246.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2504.231275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.231275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.231275 (E_RNA) where: Base-Base interactions energy: -1626.095 where: short stacking energy: -761.171 Base-Backbone interact. energy: 1.371 local terms energy: -879.507306 where: bonds (distance) C4'-P energy: -167.121 bonds (distance) P-C4' energy: -193.519 flat angles C4'-P-C4' energy: -194.633 flat angles P-C4'-P energy: -120.021 tors. eta vs tors. theta energy: -204.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2330.228096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.228096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.228096 (E_RNA) where: Base-Base interactions energy: -1522.017 where: short stacking energy: -688.094 Base-Backbone interact. energy: -0.992 local terms energy: -807.218892 where: bonds (distance) C4'-P energy: -149.739 bonds (distance) P-C4' energy: -162.258 flat angles C4'-P-C4' energy: -197.042 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -181.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2041.463499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.463499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.463499 (E_RNA) where: Base-Base interactions energy: -1327.732 where: short stacking energy: -623.598 Base-Backbone interact. energy: -3.204 local terms energy: -710.528181 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -158.291 flat angles C4'-P-C4' energy: -171.385 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -158.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1667.526422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.526422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.526422 (E_RNA) where: Base-Base interactions energy: -1003.460 where: short stacking energy: -476.453 Base-Backbone interact. energy: 5.172 local terms energy: -669.238998 where: bonds (distance) C4'-P energy: -158.363 bonds (distance) P-C4' energy: -149.644 flat angles C4'-P-C4' energy: -161.030 flat angles P-C4'-P energy: -110.455 tors. eta vs tors. theta energy: -89.747 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: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1552.736727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.736727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.736727 (E_RNA) where: Base-Base interactions energy: -938.020 where: short stacking energy: -464.119 Base-Backbone interact. energy: -1.411 local terms energy: -613.304825 where: bonds (distance) C4'-P energy: -168.983 bonds (distance) P-C4' energy: -160.122 flat angles C4'-P-C4' energy: -146.612 flat angles P-C4'-P energy: -81.732 tors. eta vs tors. theta energy: -55.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1007.520043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.520043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.520043 (E_RNA) where: Base-Base interactions energy: -447.526 where: short stacking energy: -296.574 Base-Backbone interact. energy: -1.640 local terms energy: -558.354267 where: bonds (distance) C4'-P energy: -159.083 bonds (distance) P-C4' energy: -163.773 flat angles C4'-P-C4' energy: -127.797 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -31.462 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: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -709.645312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.645312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.645312 (E_RNA) where: Base-Base interactions energy: -229.626 where: short stacking energy: -188.845 Base-Backbone interact. energy: -0.265 local terms energy: -479.754726 where: bonds (distance) C4'-P energy: -156.253 bonds (distance) P-C4' energy: -129.828 flat angles C4'-P-C4' energy: -143.618 flat angles P-C4'-P energy: -79.380 tors. eta vs tors. theta energy: 29.325 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: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -3026.967637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.967637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.967637 (E_RNA) where: Base-Base interactions energy: -2018.388 where: short stacking energy: -940.071 Base-Backbone interact. energy: -0.816 local terms energy: -1007.763087 where: bonds (distance) C4'-P energy: -185.709 bonds (distance) P-C4' energy: -194.473 flat angles C4'-P-C4' energy: -212.790 flat angles P-C4'-P energy: -141.002 tors. eta vs tors. theta energy: -273.789 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: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2896.340175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.340175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.340175 (E_RNA) where: Base-Base interactions energy: -1910.742 where: short stacking energy: -837.362 Base-Backbone interact. energy: -3.217 local terms energy: -982.381756 where: bonds (distance) C4'-P energy: -190.118 bonds (distance) P-C4' energy: -190.481 flat angles C4'-P-C4' energy: -212.416 flat angles P-C4'-P energy: -146.168 tors. eta vs tors. theta energy: -243.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2693.598164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.598164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.598164 (E_RNA) where: Base-Base interactions energy: -1776.377 where: short stacking energy: -806.313 Base-Backbone interact. energy: -1.646 local terms energy: -915.574806 where: bonds (distance) C4'-P energy: -174.865 bonds (distance) P-C4' energy: -182.636 flat angles C4'-P-C4' energy: -190.422 flat angles P-C4'-P energy: -135.104 tors. eta vs tors. theta energy: -232.548 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: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2528.968217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.968217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.968217 (E_RNA) where: Base-Base interactions energy: -1657.928 where: short stacking energy: -745.773 Base-Backbone interact. energy: -0.897 local terms energy: -870.142605 where: bonds (distance) C4'-P energy: -155.933 bonds (distance) P-C4' energy: -186.447 flat angles C4'-P-C4' energy: -187.477 flat angles P-C4'-P energy: -118.825 tors. eta vs tors. theta energy: -221.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2345.477893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.477893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.477893 (E_RNA) where: Base-Base interactions energy: -1527.337 where: short stacking energy: -684.780 Base-Backbone interact. energy: 0.017 local terms energy: -818.158096 where: bonds (distance) C4'-P energy: -146.127 bonds (distance) P-C4' energy: -167.249 flat angles C4'-P-C4' energy: -195.330 flat angles P-C4'-P energy: -110.617 tors. eta vs tors. theta energy: -198.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2024.182993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.182993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.182993 (E_RNA) where: Base-Base interactions energy: -1305.425 where: short stacking energy: -603.457 Base-Backbone interact. energy: -3.004 local terms energy: -715.754799 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -158.774 flat angles C4'-P-C4' energy: -177.815 flat angles P-C4'-P energy: -114.969 tors. eta vs tors. theta energy: -112.586 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: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1680.713630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.713630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.713630 (E_RNA) where: Base-Base interactions energy: -1030.426 where: short stacking energy: -492.748 Base-Backbone interact. energy: 1.500 local terms energy: -651.787810 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -150.192 flat angles C4'-P-C4' energy: -164.775 flat angles P-C4'-P energy: -104.072 tors. eta vs tors. theta energy: -89.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1545.181043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.181043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.181043 (E_RNA) where: Base-Base interactions energy: -919.603 where: short stacking energy: -461.303 Base-Backbone interact. energy: 1.786 local terms energy: -627.363674 where: bonds (distance) C4'-P energy: -152.931 bonds (distance) P-C4' energy: -146.894 flat angles C4'-P-C4' energy: -158.059 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -89.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -972.375610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.375610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.375610 (E_RNA) where: Base-Base interactions energy: -475.835 where: short stacking energy: -265.738 Base-Backbone interact. energy: -5.171 local terms energy: -491.369514 where: bonds (distance) C4'-P energy: -141.304 bonds (distance) P-C4' energy: -155.179 flat angles C4'-P-C4' energy: -138.865 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: 9.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -691.047053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.047053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.047053 (E_RNA) where: Base-Base interactions energy: -220.790 where: short stacking energy: -188.602 Base-Backbone interact. energy: 2.053 local terms energy: -472.309661 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -153.434 flat angles C4'-P-C4' energy: -124.826 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: 19.565 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3059.309120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.309120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.309120 (E_RNA) where: Base-Base interactions energy: -2042.906 where: short stacking energy: -969.564 Base-Backbone interact. energy: -2.859 local terms energy: -1013.544624 where: bonds (distance) C4'-P energy: -174.204 bonds (distance) P-C4' energy: -204.246 flat angles C4'-P-C4' energy: -211.656 flat angles P-C4'-P energy: -144.992 tors. eta vs tors. theta energy: -278.446 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: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2933.575454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.575454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.575454 (E_RNA) where: Base-Base interactions energy: -2007.793 where: short stacking energy: -902.939 Base-Backbone interact. energy: -4.902 local terms energy: -920.880701 where: bonds (distance) C4'-P energy: -185.180 bonds (distance) P-C4' energy: -168.833 flat angles C4'-P-C4' energy: -198.274 flat angles P-C4'-P energy: -122.411 tors. eta vs tors. theta energy: -246.182 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: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2754.429739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.429739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.429739 (E_RNA) where: Base-Base interactions energy: -1849.431 where: short stacking energy: -879.062 Base-Backbone interact. energy: -3.969 local terms energy: -901.030136 where: bonds (distance) C4'-P energy: -167.877 bonds (distance) P-C4' energy: -184.244 flat angles C4'-P-C4' energy: -192.950 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -243.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2505.881824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.881824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.881824 (E_RNA) where: Base-Base interactions energy: -1646.813 where: short stacking energy: -751.059 Base-Backbone interact. energy: -2.467 local terms energy: -856.601770 where: bonds (distance) C4'-P energy: -161.338 bonds (distance) P-C4' energy: -174.674 flat angles C4'-P-C4' energy: -180.486 flat angles P-C4'-P energy: -122.192 tors. eta vs tors. theta energy: -217.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2387.567354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.567354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.567354 (E_RNA) where: Base-Base interactions energy: -1564.031 where: short stacking energy: -718.106 Base-Backbone interact. energy: -2.401 local terms energy: -821.135416 where: bonds (distance) C4'-P energy: -164.080 bonds (distance) P-C4' energy: -172.156 flat angles C4'-P-C4' energy: -184.425 flat angles P-C4'-P energy: -103.727 tors. eta vs tors. theta energy: -196.746 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2016.984301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.984301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.984301 (E_RNA) where: Base-Base interactions energy: -1262.359 where: short stacking energy: -601.512 Base-Backbone interact. energy: -1.189 local terms energy: -753.436693 where: bonds (distance) C4'-P energy: -158.978 bonds (distance) P-C4' energy: -180.529 flat angles C4'-P-C4' energy: -163.849 flat angles P-C4'-P energy: -106.590 tors. eta vs tors. theta energy: -143.491 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: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1665.343308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.343308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.343308 (E_RNA) where: Base-Base interactions energy: -1030.547 where: short stacking energy: -493.566 Base-Backbone interact. energy: 1.698 local terms energy: -636.493976 where: bonds (distance) C4'-P energy: -152.244 bonds (distance) P-C4' energy: -147.537 flat angles C4'-P-C4' energy: -147.354 flat angles P-C4'-P energy: -92.462 tors. eta vs tors. theta energy: -96.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1501.290294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.290294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.290294 (E_RNA) where: Base-Base interactions energy: -895.556 where: short stacking energy: -439.669 Base-Backbone interact. energy: 0.812 local terms energy: -606.546323 where: bonds (distance) C4'-P energy: -157.730 bonds (distance) P-C4' energy: -154.528 flat angles C4'-P-C4' energy: -141.153 flat angles P-C4'-P energy: -77.166 tors. eta vs tors. theta energy: -75.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -957.568147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.568147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.568147 (E_RNA) where: Base-Base interactions energy: -413.320 where: short stacking energy: -262.852 Base-Backbone interact. energy: -2.063 local terms energy: -542.185396 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -164.707 flat angles C4'-P-C4' energy: -154.922 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -10.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -681.442057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.442057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.442057 (E_RNA) where: Base-Base interactions energy: -220.489 where: short stacking energy: -171.568 Base-Backbone interact. energy: 5.129 local terms energy: -466.081795 where: bonds (distance) C4'-P energy: -136.688 bonds (distance) P-C4' energy: -138.651 flat angles C4'-P-C4' energy: -135.666 flat angles P-C4'-P energy: -80.755 tors. eta vs tors. theta energy: 25.678 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: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3081.187072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.187072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.187072 (E_RNA) where: Base-Base interactions energy: -2068.564 where: short stacking energy: -960.180 Base-Backbone interact. energy: -1.779 local terms energy: -1010.844653 where: bonds (distance) C4'-P energy: -183.821 bonds (distance) P-C4' energy: -185.646 flat angles C4'-P-C4' energy: -206.604 flat angles P-C4'-P energy: -155.283 tors. eta vs tors. theta energy: -279.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2859.495176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.495176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.495176 (E_RNA) where: Base-Base interactions energy: -1918.269 where: short stacking energy: -869.259 Base-Backbone interact. energy: -3.077 local terms energy: -938.148896 where: bonds (distance) C4'-P energy: -192.069 bonds (distance) P-C4' energy: -173.618 flat angles C4'-P-C4' energy: -196.820 flat angles P-C4'-P energy: -131.414 tors. eta vs tors. theta energy: -244.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2749.885467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.885467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.885467 (E_RNA) where: Base-Base interactions energy: -1860.760 where: short stacking energy: -848.575 Base-Backbone interact. energy: 2.607 local terms energy: -891.732083 where: bonds (distance) C4'-P energy: -159.543 bonds (distance) P-C4' energy: -164.467 flat angles C4'-P-C4' energy: -198.285 flat angles P-C4'-P energy: -120.643 tors. eta vs tors. theta energy: -248.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2500.345075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.345075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.345075 (E_RNA) where: Base-Base interactions energy: -1616.990 where: short stacking energy: -776.895 Base-Backbone interact. energy: -2.681 local terms energy: -880.673932 where: bonds (distance) C4'-P energy: -180.627 bonds (distance) P-C4' energy: -183.374 flat angles C4'-P-C4' energy: -185.836 flat angles P-C4'-P energy: -112.515 tors. eta vs tors. theta energy: -218.323 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: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2364.085364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.085364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.085364 (E_RNA) where: Base-Base interactions energy: -1584.239 where: short stacking energy: -709.794 Base-Backbone interact. energy: 1.064 local terms energy: -780.910141 where: bonds (distance) C4'-P energy: -167.090 bonds (distance) P-C4' energy: -164.922 flat angles C4'-P-C4' energy: -172.263 flat angles P-C4'-P energy: -107.320 tors. eta vs tors. theta energy: -169.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1964.049167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.049167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.049167 (E_RNA) where: Base-Base interactions energy: -1273.644 where: short stacking energy: -617.588 Base-Backbone interact. energy: 1.867 local terms energy: -692.272021 where: bonds (distance) C4'-P energy: -137.687 bonds (distance) P-C4' energy: -166.916 flat angles C4'-P-C4' energy: -152.728 flat angles P-C4'-P energy: -92.160 tors. eta vs tors. theta energy: -142.780 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: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1625.933111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.933111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.933111 (E_RNA) where: Base-Base interactions energy: -986.364 where: short stacking energy: -480.092 Base-Backbone interact. energy: -0.698 local terms energy: -638.870685 where: bonds (distance) C4'-P energy: -150.229 bonds (distance) P-C4' energy: -153.627 flat angles C4'-P-C4' energy: -152.098 flat angles P-C4'-P energy: -97.655 tors. eta vs tors. theta energy: -85.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1498.781493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.781493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.781493 (E_RNA) where: Base-Base interactions energy: -881.691 where: short stacking energy: -420.741 Base-Backbone interact. energy: -1.225 local terms energy: -615.864846 where: bonds (distance) C4'-P energy: -161.438 bonds (distance) P-C4' energy: -157.386 flat angles C4'-P-C4' energy: -143.514 flat angles P-C4'-P energy: -92.831 tors. eta vs tors. theta energy: -60.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1011.556931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.556931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.556931 (E_RNA) where: Base-Base interactions energy: -478.386 where: short stacking energy: -302.875 Base-Backbone interact. energy: 3.760 local terms energy: -536.930748 where: bonds (distance) C4'-P energy: -137.936 bonds (distance) P-C4' energy: -156.135 flat angles C4'-P-C4' energy: -142.049 flat angles P-C4'-P energy: -97.311 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -758.777699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.777699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.777699 (E_RNA) where: Base-Base interactions energy: -308.488 where: short stacking energy: -229.146 Base-Backbone interact. energy: -1.524 local terms energy: -448.765835 where: bonds (distance) C4'-P energy: -157.073 bonds (distance) P-C4' energy: -165.678 flat angles C4'-P-C4' energy: -116.275 flat angles P-C4'-P energy: -59.025 tors. eta vs tors. theta energy: 49.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3019.262777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.262777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.262777 (E_RNA) where: Base-Base interactions energy: -2060.534 where: short stacking energy: -949.701 Base-Backbone interact. energy: -1.637 local terms energy: -957.091537 where: bonds (distance) C4'-P energy: -173.221 bonds (distance) P-C4' energy: -174.721 flat angles C4'-P-C4' energy: -205.627 flat angles P-C4'-P energy: -135.907 tors. eta vs tors. theta energy: -267.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2885.895896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.895896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.895896 (E_RNA) where: Base-Base interactions energy: -1987.840 where: short stacking energy: -883.127 Base-Backbone interact. energy: -6.924 local terms energy: -891.132190 where: bonds (distance) C4'-P energy: -166.563 bonds (distance) P-C4' energy: -174.275 flat angles C4'-P-C4' energy: -186.147 flat angles P-C4'-P energy: -123.690 tors. eta vs tors. theta energy: -240.458 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2716.680600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.680600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.680600 (E_RNA) where: Base-Base interactions energy: -1815.400 where: short stacking energy: -841.929 Base-Backbone interact. energy: -4.156 local terms energy: -897.124471 where: bonds (distance) C4'-P energy: -151.319 bonds (distance) P-C4' energy: -168.335 flat angles C4'-P-C4' energy: -204.386 flat angles P-C4'-P energy: -129.576 tors. eta vs tors. theta energy: -243.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2509.269146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.269146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.269146 (E_RNA) where: Base-Base interactions energy: -1660.013 where: short stacking energy: -771.561 Base-Backbone interact. energy: -0.905 local terms energy: -848.351341 where: bonds (distance) C4'-P energy: -181.218 bonds (distance) P-C4' energy: -169.029 flat angles C4'-P-C4' energy: -184.954 flat angles P-C4'-P energy: -101.977 tors. eta vs tors. theta energy: -211.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2425.363996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.363996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.363996 (E_RNA) where: Base-Base interactions energy: -1570.120 where: short stacking energy: -753.001 Base-Backbone interact. energy: 1.044 local terms energy: -856.287687 where: bonds (distance) C4'-P energy: -170.012 bonds (distance) P-C4' energy: -172.161 flat angles C4'-P-C4' energy: -189.399 flat angles P-C4'-P energy: -120.301 tors. eta vs tors. theta energy: -204.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1934.324425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.324425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.324425 (E_RNA) where: Base-Base interactions energy: -1203.295 where: short stacking energy: -572.368 Base-Backbone interact. energy: 3.353 local terms energy: -734.382437 where: bonds (distance) C4'-P energy: -169.923 bonds (distance) P-C4' energy: -150.683 flat angles C4'-P-C4' energy: -188.793 flat angles P-C4'-P energy: -102.745 tors. eta vs tors. theta energy: -122.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1667.564169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.564169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.564169 (E_RNA) where: Base-Base interactions energy: -976.678 where: short stacking energy: -488.124 Base-Backbone interact. energy: 0.900 local terms energy: -691.786447 where: bonds (distance) C4'-P energy: -157.321 bonds (distance) P-C4' energy: -157.327 flat angles C4'-P-C4' energy: -157.531 flat angles P-C4'-P energy: -115.253 tors. eta vs tors. theta energy: -104.355 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: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1445.222245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.222245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.222245 (E_RNA) where: Base-Base interactions energy: -838.453 where: short stacking energy: -394.813 Base-Backbone interact. energy: -3.443 local terms energy: -603.325805 where: bonds (distance) C4'-P energy: -152.348 bonds (distance) P-C4' energy: -152.750 flat angles C4'-P-C4' energy: -153.279 flat angles P-C4'-P energy: -94.888 tors. eta vs tors. theta energy: -50.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1054.766939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.766939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.766939 (E_RNA) where: Base-Base interactions energy: -529.986 where: short stacking energy: -302.612 Base-Backbone interact. energy: -5.232 local terms energy: -519.548028 where: bonds (distance) C4'-P energy: -157.179 bonds (distance) P-C4' energy: -158.106 flat angles C4'-P-C4' energy: -119.347 flat angles P-C4'-P energy: -83.211 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -735.710188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.710188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.710188 (E_RNA) where: Base-Base interactions energy: -262.847 where: short stacking energy: -209.570 Base-Backbone interact. energy: 2.696 local terms energy: -475.558456 where: bonds (distance) C4'-P energy: -118.483 bonds (distance) P-C4' energy: -172.961 flat angles C4'-P-C4' energy: -122.642 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: 18.976 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: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3062.868612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.868612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.868612 (E_RNA) where: Base-Base interactions energy: -2058.853 where: short stacking energy: -931.889 Base-Backbone interact. energy: -4.857 local terms energy: -999.158116 where: bonds (distance) C4'-P energy: -188.849 bonds (distance) P-C4' energy: -175.836 flat angles C4'-P-C4' energy: -215.112 flat angles P-C4'-P energy: -138.131 tors. eta vs tors. theta energy: -281.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2874.732161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.732161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.732161 (E_RNA) where: Base-Base interactions energy: -1935.974 where: short stacking energy: -858.804 Base-Backbone interact. energy: -4.111 local terms energy: -934.646856 where: bonds (distance) C4'-P energy: -187.631 bonds (distance) P-C4' energy: -187.395 flat angles C4'-P-C4' energy: -184.259 flat angles P-C4'-P energy: -130.704 tors. eta vs tors. theta energy: -244.657 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: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2671.617747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.617747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.617747 (E_RNA) where: Base-Base interactions energy: -1777.663 where: short stacking energy: -851.057 Base-Backbone interact. energy: -3.359 local terms energy: -890.595682 where: bonds (distance) C4'-P energy: -156.264 bonds (distance) P-C4' energy: -176.044 flat angles C4'-P-C4' energy: -186.978 flat angles P-C4'-P energy: -133.118 tors. eta vs tors. theta energy: -238.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2503.746373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.746373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.746373 (E_RNA) where: Base-Base interactions energy: -1646.124 where: short stacking energy: -765.715 Base-Backbone interact. energy: -5.070 local terms energy: -852.551814 where: bonds (distance) C4'-P energy: -159.320 bonds (distance) P-C4' energy: -187.855 flat angles C4'-P-C4' energy: -180.112 flat angles P-C4'-P energy: -114.977 tors. eta vs tors. theta energy: -210.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2321.904456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.904456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.904456 (E_RNA) where: Base-Base interactions energy: -1507.308 where: short stacking energy: -700.460 Base-Backbone interact. energy: -1.700 local terms energy: -812.896357 where: bonds (distance) C4'-P energy: -161.787 bonds (distance) P-C4' energy: -167.635 flat angles C4'-P-C4' energy: -181.506 flat angles P-C4'-P energy: -116.960 tors. eta vs tors. theta energy: -185.008 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: 108 Temperature: 1.150000 Total energy: -1951.228007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.228007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.228007 (E_RNA) where: Base-Base interactions energy: -1203.742 where: short stacking energy: -560.418 Base-Backbone interact. energy: -0.688 local terms energy: -746.798170 where: bonds (distance) C4'-P energy: -161.608 bonds (distance) P-C4' energy: -172.605 flat angles C4'-P-C4' energy: -177.785 flat angles P-C4'-P energy: -117.210 tors. eta vs tors. theta energy: -117.590 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: 1 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1676.563803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.563803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.563803 (E_RNA) where: Base-Base interactions energy: -1006.192 where: short stacking energy: -489.782 Base-Backbone interact. energy: 3.932 local terms energy: -674.303770 where: bonds (distance) C4'-P energy: -149.508 bonds (distance) P-C4' energy: -154.877 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -100.946 tors. eta vs tors. theta energy: -116.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1462.633092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.633092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.633092 (E_RNA) where: Base-Base interactions energy: -858.321 where: short stacking energy: -398.080 Base-Backbone interact. energy: -1.863 local terms energy: -602.448739 where: bonds (distance) C4'-P energy: -151.384 bonds (distance) P-C4' energy: -154.313 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -72.922 tors. eta vs tors. theta energy: -73.535 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: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1092.699606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.699606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.699606 (E_RNA) where: Base-Base interactions energy: -524.821 where: short stacking energy: -328.479 Base-Backbone interact. energy: -1.716 local terms energy: -566.162446 where: bonds (distance) C4'-P energy: -164.641 bonds (distance) P-C4' energy: -139.357 flat angles C4'-P-C4' energy: -163.887 flat angles P-C4'-P energy: -83.538 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -762.236716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.236716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.236716 (E_RNA) where: Base-Base interactions energy: -314.825 where: short stacking energy: -227.378 Base-Backbone interact. energy: 3.456 local terms energy: -450.868363 where: bonds (distance) C4'-P energy: -137.484 bonds (distance) P-C4' energy: -148.575 flat angles C4'-P-C4' energy: -135.100 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: 41.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3067.340490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.340490 (E_RNA) where: Base-Base interactions energy: -2041.344 where: short stacking energy: -922.628 Base-Backbone interact. energy: -3.468 local terms energy: -1022.527967 where: bonds (distance) C4'-P energy: -197.771 bonds (distance) P-C4' energy: -200.397 flat angles C4'-P-C4' energy: -210.986 flat angles P-C4'-P energy: -145.267 tors. eta vs tors. theta energy: -268.107 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: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2863.925804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.925804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.925804 (E_RNA) where: Base-Base interactions energy: -1945.729 where: short stacking energy: -852.092 Base-Backbone interact. energy: -3.972 local terms energy: -914.225290 where: bonds (distance) C4'-P energy: -181.281 bonds (distance) P-C4' energy: -157.088 flat angles C4'-P-C4' energy: -200.787 flat angles P-C4'-P energy: -147.587 tors. eta vs tors. theta energy: -227.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2743.144002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.144002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.144002 (E_RNA) where: Base-Base interactions energy: -1832.530 where: short stacking energy: -830.683 Base-Backbone interact. energy: 1.562 local terms energy: -912.176147 where: bonds (distance) C4'-P energy: -174.048 bonds (distance) P-C4' energy: -180.726 flat angles C4'-P-C4' energy: -193.261 flat angles P-C4'-P energy: -124.861 tors. eta vs tors. theta energy: -239.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2549.980618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.980618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.980618 (E_RNA) where: Base-Base interactions energy: -1713.728 where: short stacking energy: -791.498 Base-Backbone interact. energy: 2.343 local terms energy: -838.595706 where: bonds (distance) C4'-P energy: -164.023 bonds (distance) P-C4' energy: -165.001 flat angles C4'-P-C4' energy: -175.104 flat angles P-C4'-P energy: -107.171 tors. eta vs tors. theta energy: -227.297 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: 6 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2342.161053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.161053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.161053 (E_RNA) where: Base-Base interactions energy: -1509.176 where: short stacking energy: -702.083 Base-Backbone interact. energy: -2.894 local terms energy: -830.090661 where: bonds (distance) C4'-P energy: -155.643 bonds (distance) P-C4' energy: -169.735 flat angles C4'-P-C4' energy: -182.701 flat angles P-C4'-P energy: -128.079 tors. eta vs tors. theta energy: -193.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1914.108154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.108154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.108154 (E_RNA) where: Base-Base interactions energy: -1235.898 where: short stacking energy: -602.728 Base-Backbone interact. energy: 0.506 local terms energy: -678.715766 where: bonds (distance) C4'-P energy: -131.987 bonds (distance) P-C4' energy: -156.893 flat angles C4'-P-C4' energy: -167.487 flat angles P-C4'-P energy: -90.815 tors. eta vs tors. theta energy: -131.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1760.232973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.232973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.232973 (E_RNA) where: Base-Base interactions energy: -1055.708 where: short stacking energy: -509.469 Base-Backbone interact. energy: -2.367 local terms energy: -702.158392 where: bonds (distance) C4'-P energy: -143.232 bonds (distance) P-C4' energy: -171.390 flat angles C4'-P-C4' energy: -176.651 flat angles P-C4'-P energy: -107.928 tors. eta vs tors. theta energy: -102.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1534.875917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.875917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.875917 (E_RNA) where: Base-Base interactions energy: -933.959 where: short stacking energy: -466.176 Base-Backbone interact. energy: -0.347 local terms energy: -600.570096 where: bonds (distance) C4'-P energy: -130.200 bonds (distance) P-C4' energy: -162.114 flat angles C4'-P-C4' energy: -145.391 flat angles P-C4'-P energy: -83.525 tors. eta vs tors. theta energy: -79.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1061.312543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.312543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.312543 (E_RNA) where: Base-Base interactions energy: -562.225 where: short stacking energy: -318.822 Base-Backbone interact. energy: -1.375 local terms energy: -497.712452 where: bonds (distance) C4'-P energy: -134.027 bonds (distance) P-C4' energy: -158.484 flat angles C4'-P-C4' energy: -140.899 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: 4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -775.776975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.776975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.776975 (E_RNA) where: Base-Base interactions energy: -312.999 where: short stacking energy: -210.561 Base-Backbone interact. energy: -0.037 local terms energy: -462.741100 where: bonds (distance) C4'-P energy: -142.006 bonds (distance) P-C4' energy: -143.199 flat angles C4'-P-C4' energy: -130.611 flat angles P-C4'-P energy: -68.881 tors. eta vs tors. theta energy: 21.955 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: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3067.891714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.891714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.891714 (E_RNA) where: Base-Base interactions energy: -2038.560 where: short stacking energy: -960.239 Base-Backbone interact. energy: -2.299 local terms energy: -1027.032899 where: bonds (distance) C4'-P energy: -193.642 bonds (distance) P-C4' energy: -181.180 flat angles C4'-P-C4' energy: -228.661 flat angles P-C4'-P energy: -139.556 tors. eta vs tors. theta energy: -283.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2905.392936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.392936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.392936 (E_RNA) where: Base-Base interactions energy: -1948.802 where: short stacking energy: -896.925 Base-Backbone interact. energy: -0.722 local terms energy: -955.868512 where: bonds (distance) C4'-P energy: -168.542 bonds (distance) P-C4' energy: -190.038 flat angles C4'-P-C4' energy: -212.682 flat angles P-C4'-P energy: -134.738 tors. eta vs tors. theta energy: -249.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2751.405525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.405525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.405525 (E_RNA) where: Base-Base interactions energy: -1838.673 where: short stacking energy: -851.998 Base-Backbone interact. energy: -3.910 local terms energy: -908.823450 where: bonds (distance) C4'-P energy: -159.447 bonds (distance) P-C4' energy: -179.291 flat angles C4'-P-C4' energy: -197.425 flat angles P-C4'-P energy: -132.834 tors. eta vs tors. theta energy: -239.826 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: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2496.124882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.124882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.124882 (E_RNA) where: Base-Base interactions energy: -1624.305 where: short stacking energy: -777.277 Base-Backbone interact. energy: -0.492 local terms energy: -871.328022 where: bonds (distance) C4'-P energy: -161.599 bonds (distance) P-C4' energy: -157.821 flat angles C4'-P-C4' energy: -196.058 flat angles P-C4'-P energy: -132.612 tors. eta vs tors. theta energy: -223.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2344.691295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.691295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.691295 (E_RNA) where: Base-Base interactions energy: -1522.165 where: short stacking energy: -713.893 Base-Backbone interact. energy: 0.594 local terms energy: -823.120695 where: bonds (distance) C4'-P energy: -158.679 bonds (distance) P-C4' energy: -171.434 flat angles C4'-P-C4' energy: -183.541 flat angles P-C4'-P energy: -114.141 tors. eta vs tors. theta energy: -195.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1911.808418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.808418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.808418 (E_RNA) where: Base-Base interactions energy: -1170.978 where: short stacking energy: -585.049 Base-Backbone interact. energy: 1.484 local terms energy: -742.314656 where: bonds (distance) C4'-P energy: -145.926 bonds (distance) P-C4' energy: -157.510 flat angles C4'-P-C4' energy: -178.951 flat angles P-C4'-P energy: -116.072 tors. eta vs tors. theta energy: -143.855 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: 7, replica: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1729.338888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.338888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.338888 (E_RNA) where: Base-Base interactions energy: -1034.907 where: short stacking energy: -514.202 Base-Backbone interact. energy: -5.323 local terms energy: -689.109607 where: bonds (distance) C4'-P energy: -140.615 bonds (distance) P-C4' energy: -171.384 flat angles C4'-P-C4' energy: -159.699 flat angles P-C4'-P energy: -92.158 tors. eta vs tors. theta energy: -125.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1511.565671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.565671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.565671 (E_RNA) where: Base-Base interactions energy: -920.675 where: short stacking energy: -478.216 Base-Backbone interact. energy: 2.399 local terms energy: -593.289011 where: bonds (distance) C4'-P energy: -130.550 bonds (distance) P-C4' energy: -146.739 flat angles C4'-P-C4' energy: -145.311 flat angles P-C4'-P energy: -86.663 tors. eta vs tors. theta energy: -84.027 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: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1105.971312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.971312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.971312 (E_RNA) where: Base-Base interactions energy: -549.729 where: short stacking energy: -293.857 Base-Backbone interact. energy: 4.771 local terms energy: -561.013004 where: bonds (distance) C4'-P energy: -153.776 bonds (distance) P-C4' energy: -165.496 flat angles C4'-P-C4' energy: -161.540 flat angles P-C4'-P energy: -73.612 tors. eta vs tors. theta energy: -6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -743.526550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.526550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.526550 (E_RNA) where: Base-Base interactions energy: -280.629 where: short stacking energy: -240.947 Base-Backbone interact. energy: 2.169 local terms energy: -465.066706 where: bonds (distance) C4'-P energy: -159.802 bonds (distance) P-C4' energy: -146.808 flat angles C4'-P-C4' energy: -119.058 flat angles P-C4'-P energy: -51.395 tors. eta vs tors. theta energy: 11.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3077.789323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.789323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.789323 (E_RNA) where: Base-Base interactions energy: -2061.713 where: short stacking energy: -961.022 Base-Backbone interact. energy: -2.949 local terms energy: -1013.126517 where: bonds (distance) C4'-P energy: -173.196 bonds (distance) P-C4' energy: -192.559 flat angles C4'-P-C4' energy: -225.141 flat angles P-C4'-P energy: -155.686 tors. eta vs tors. theta energy: -266.544 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: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2892.930709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.930709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.930709 (E_RNA) where: Base-Base interactions energy: -1928.712 where: short stacking energy: -857.467 Base-Backbone interact. energy: 0.088 local terms energy: -964.305948 where: bonds (distance) C4'-P energy: -182.685 bonds (distance) P-C4' energy: -194.534 flat angles C4'-P-C4' energy: -200.845 flat angles P-C4'-P energy: -141.067 tors. eta vs tors. theta energy: -245.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2756.365953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.365953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.365953 (E_RNA) where: Base-Base interactions energy: -1865.766 where: short stacking energy: -882.750 Base-Backbone interact. energy: -1.694 local terms energy: -888.905619 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -188.949 flat angles P-C4'-P energy: -140.740 tors. eta vs tors. theta energy: -253.360 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: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2506.196666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.196666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.196666 (E_RNA) where: Base-Base interactions energy: -1620.532 where: short stacking energy: -742.150 Base-Backbone interact. energy: -2.681 local terms energy: -882.983313 where: bonds (distance) C4'-P energy: -176.672 bonds (distance) P-C4' energy: -175.431 flat angles C4'-P-C4' energy: -197.156 flat angles P-C4'-P energy: -122.317 tors. eta vs tors. theta energy: -211.407 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: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2358.410810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.410810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.410810 (E_RNA) where: Base-Base interactions energy: -1530.765 where: short stacking energy: -747.216 Base-Backbone interact. energy: -5.404 local terms energy: -822.241892 where: bonds (distance) C4'-P energy: -159.913 bonds (distance) P-C4' energy: -157.979 flat angles C4'-P-C4' energy: -190.631 flat angles P-C4'-P energy: -104.918 tors. eta vs tors. theta energy: -208.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2026.105234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.105234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.105234 (E_RNA) where: Base-Base interactions energy: -1294.124 where: short stacking energy: -596.500 Base-Backbone interact. energy: 0.215 local terms energy: -732.196450 where: bonds (distance) C4'-P energy: -155.453 bonds (distance) P-C4' energy: -169.652 flat angles C4'-P-C4' energy: -169.083 flat angles P-C4'-P energy: -102.660 tors. eta vs tors. theta energy: -135.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1642.122787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.122787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.122787 (E_RNA) where: Base-Base interactions energy: -995.483 where: short stacking energy: -497.156 Base-Backbone interact. energy: -1.202 local terms energy: -645.438081 where: bonds (distance) C4'-P energy: -137.678 bonds (distance) P-C4' energy: -171.184 flat angles C4'-P-C4' energy: -143.277 flat angles P-C4'-P energy: -101.375 tors. eta vs tors. theta energy: -91.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1486.078050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.078050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.078050 (E_RNA) where: Base-Base interactions energy: -840.455 where: short stacking energy: -457.308 Base-Backbone interact. energy: 1.343 local terms energy: -646.966834 where: bonds (distance) C4'-P energy: -163.917 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -159.127 flat angles P-C4'-P energy: -103.121 tors. eta vs tors. theta energy: -75.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1070.577580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.577580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.577580 (E_RNA) where: Base-Base interactions energy: -561.888 where: short stacking energy: -321.648 Base-Backbone interact. energy: -4.024 local terms energy: -504.666076 where: bonds (distance) C4'-P energy: -127.699 bonds (distance) P-C4' energy: -160.653 flat angles C4'-P-C4' energy: -128.692 flat angles P-C4'-P energy: -70.958 tors. eta vs tors. theta energy: -16.664 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: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -656.332881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.332881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.332881 (E_RNA) where: Base-Base interactions energy: -186.371 where: short stacking energy: -154.536 Base-Backbone interact. energy: 0.678 local terms energy: -470.640270 where: bonds (distance) C4'-P energy: -156.889 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -136.938 flat angles P-C4'-P energy: -71.086 tors. eta vs tors. theta energy: 41.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3068.574390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.574390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.574390 (E_RNA) where: Base-Base interactions energy: -2053.971 where: short stacking energy: -933.494 Base-Backbone interact. energy: -3.051 local terms energy: -1011.552785 where: bonds (distance) C4'-P energy: -180.361 bonds (distance) P-C4' energy: -201.865 flat angles C4'-P-C4' energy: -209.574 flat angles P-C4'-P energy: -142.838 tors. eta vs tors. theta energy: -276.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2893.201893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.201893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.201893 (E_RNA) where: Base-Base interactions energy: -1994.270 where: short stacking energy: -860.695 Base-Backbone interact. energy: -3.649 local terms energy: -895.283736 where: bonds (distance) C4'-P energy: -173.109 bonds (distance) P-C4' energy: -165.753 flat angles C4'-P-C4' energy: -195.555 flat angles P-C4'-P energy: -130.651 tors. eta vs tors. theta energy: -230.216 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: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2758.126905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.126905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.126905 (E_RNA) where: Base-Base interactions energy: -1844.051 where: short stacking energy: -875.582 Base-Backbone interact. energy: -1.127 local terms energy: -912.948962 where: bonds (distance) C4'-P energy: -170.787 bonds (distance) P-C4' energy: -166.531 flat angles C4'-P-C4' energy: -195.805 flat angles P-C4'-P energy: -120.389 tors. eta vs tors. theta energy: -259.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2540.093147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.093147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.093147 (E_RNA) where: Base-Base interactions energy: -1678.003 where: short stacking energy: -797.060 Base-Backbone interact. energy: -1.101 local terms energy: -860.988915 where: bonds (distance) C4'-P energy: -159.232 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -200.923 flat angles P-C4'-P energy: -124.384 tors. eta vs tors. theta energy: -224.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2352.137710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.137710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.137710 (E_RNA) where: Base-Base interactions energy: -1508.043 where: short stacking energy: -725.626 Base-Backbone interact. energy: 1.723 local terms energy: -845.817404 where: bonds (distance) C4'-P energy: -168.567 bonds (distance) P-C4' energy: -189.955 flat angles C4'-P-C4' energy: -161.570 flat angles P-C4'-P energy: -102.516 tors. eta vs tors. theta energy: -223.210 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: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2045.971132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.971132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.971132 (E_RNA) where: Base-Base interactions energy: -1337.203 where: short stacking energy: -590.057 Base-Backbone interact. energy: -2.831 local terms energy: -705.936227 where: bonds (distance) C4'-P energy: -170.951 bonds (distance) P-C4' energy: -158.384 flat angles C4'-P-C4' energy: -165.585 flat angles P-C4'-P energy: -92.293 tors. eta vs tors. theta energy: -118.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1665.396985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.396985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.396985 (E_RNA) where: Base-Base interactions energy: -1022.995 where: short stacking energy: -472.013 Base-Backbone interact. energy: 1.732 local terms energy: -644.134078 where: bonds (distance) C4'-P energy: -141.443 bonds (distance) P-C4' energy: -158.917 flat angles C4'-P-C4' energy: -153.179 flat angles P-C4'-P energy: -97.758 tors. eta vs tors. theta energy: -92.837 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: 112 Temperature: 1.250000 Total energy: -1493.862436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.862436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.862436 (E_RNA) where: Base-Base interactions energy: -851.636 where: short stacking energy: -427.100 Base-Backbone interact. energy: -3.270 local terms energy: -638.955897 where: bonds (distance) C4'-P energy: -157.738 bonds (distance) P-C4' energy: -144.561 flat angles C4'-P-C4' energy: -163.787 flat angles P-C4'-P energy: -91.753 tors. eta vs tors. theta energy: -81.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1057.896982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.896982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.896982 (E_RNA) where: Base-Base interactions energy: -563.600 where: short stacking energy: -305.325 Base-Backbone interact. energy: 12.592 local terms energy: -506.889177 where: bonds (distance) C4'-P energy: -127.657 bonds (distance) P-C4' energy: -145.008 flat angles C4'-P-C4' energy: -130.328 flat angles P-C4'-P energy: -87.389 tors. eta vs tors. theta energy: -16.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -729.195993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.195993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.195993 (E_RNA) where: Base-Base interactions energy: -268.961 where: short stacking energy: -196.908 Base-Backbone interact. energy: 2.217 local terms energy: -462.452314 where: bonds (distance) C4'-P energy: -153.943 bonds (distance) P-C4' energy: -151.165 flat angles C4'-P-C4' energy: -113.102 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: 31.868 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: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3091.105223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.105223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.105223 (E_RNA) where: Base-Base interactions energy: -2082.206 where: short stacking energy: -973.802 Base-Backbone interact. energy: -3.296 local terms energy: -1005.603194 where: bonds (distance) C4'-P energy: -183.427 bonds (distance) P-C4' energy: -195.041 flat angles C4'-P-C4' energy: -202.645 flat angles P-C4'-P energy: -144.202 tors. eta vs tors. theta energy: -280.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2842.309181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.309181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.309181 (E_RNA) where: Base-Base interactions energy: -1893.206 where: short stacking energy: -847.167 Base-Backbone interact. energy: -1.071 local terms energy: -948.031695 where: bonds (distance) C4'-P energy: -173.654 bonds (distance) P-C4' energy: -185.717 flat angles C4'-P-C4' energy: -217.098 flat angles P-C4'-P energy: -141.577 tors. eta vs tors. theta energy: -229.985 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: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2705.599684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.599684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.599684 (E_RNA) where: Base-Base interactions energy: -1796.461 where: short stacking energy: -848.106 Base-Backbone interact. energy: -0.508 local terms energy: -908.630453 where: bonds (distance) C4'-P energy: -167.914 bonds (distance) P-C4' energy: -179.520 flat angles C4'-P-C4' energy: -193.501 flat angles P-C4'-P energy: -133.128 tors. eta vs tors. theta energy: -234.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2548.561186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.561186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.561186 (E_RNA) where: Base-Base interactions energy: -1698.284 where: short stacking energy: -758.949 Base-Backbone interact. energy: -4.658 local terms energy: -845.619229 where: bonds (distance) C4'-P energy: -166.302 bonds (distance) P-C4' energy: -155.331 flat angles C4'-P-C4' energy: -203.594 flat angles P-C4'-P energy: -104.564 tors. eta vs tors. theta energy: -215.828 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: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2352.716385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.716385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.716385 (E_RNA) where: Base-Base interactions energy: -1511.625 where: short stacking energy: -742.814 Base-Backbone interact. energy: -1.398 local terms energy: -839.692992 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -170.434 flat angles C4'-P-C4' energy: -185.848 flat angles P-C4'-P energy: -122.819 tors. eta vs tors. theta energy: -205.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2099.503953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.503953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.503953 (E_RNA) where: Base-Base interactions energy: -1350.574 where: short stacking energy: -637.836 Base-Backbone interact. energy: 0.642 local terms energy: -749.571867 where: bonds (distance) C4'-P energy: -155.659 bonds (distance) P-C4' energy: -162.552 flat angles C4'-P-C4' energy: -171.278 flat angles P-C4'-P energy: -99.981 tors. eta vs tors. theta energy: -160.102 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: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1717.141010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.141010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.141010 (E_RNA) where: Base-Base interactions energy: -1066.259 where: short stacking energy: -515.150 Base-Backbone interact. energy: 3.361 local terms energy: -654.243759 where: bonds (distance) C4'-P energy: -168.396 bonds (distance) P-C4' energy: -142.909 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -101.843 tors. eta vs tors. theta energy: -95.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1529.599594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.599594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.599594 (E_RNA) where: Base-Base interactions energy: -894.390 where: short stacking energy: -458.385 Base-Backbone interact. energy: 0.268 local terms energy: -635.477447 where: bonds (distance) C4'-P energy: -150.360 bonds (distance) P-C4' energy: -164.933 flat angles C4'-P-C4' energy: -146.034 flat angles P-C4'-P energy: -86.409 tors. eta vs tors. theta energy: -87.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -991.927402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.927402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.927402 (E_RNA) where: Base-Base interactions energy: -475.332 where: short stacking energy: -291.403 Base-Backbone interact. energy: -3.886 local terms energy: -512.710177 where: bonds (distance) C4'-P energy: -130.925 bonds (distance) P-C4' energy: -156.450 flat angles C4'-P-C4' energy: -141.801 flat angles P-C4'-P energy: -73.462 tors. eta vs tors. theta energy: -10.072 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: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -760.918169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.918169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.918169 (E_RNA) where: Base-Base interactions energy: -301.941 where: short stacking energy: -218.503 Base-Backbone interact. energy: 4.260 local terms energy: -463.237186 where: bonds (distance) C4'-P energy: -146.160 bonds (distance) P-C4' energy: -141.842 flat angles C4'-P-C4' energy: -123.214 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: 22.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3112.348880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.348880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.348880 (E_RNA) where: Base-Base interactions energy: -2106.229 where: short stacking energy: -982.112 Base-Backbone interact. energy: -2.830 local terms energy: -1003.289402 where: bonds (distance) C4'-P energy: -182.533 bonds (distance) P-C4' energy: -185.381 flat angles C4'-P-C4' energy: -210.018 flat angles P-C4'-P energy: -140.549 tors. eta vs tors. theta energy: -284.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2888.880953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.880953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.880953 (E_RNA) where: Base-Base interactions energy: -1929.569 where: short stacking energy: -865.045 Base-Backbone interact. energy: -4.066 local terms energy: -955.245426 where: bonds (distance) C4'-P energy: -198.034 bonds (distance) P-C4' energy: -188.937 flat angles C4'-P-C4' energy: -201.369 flat angles P-C4'-P energy: -125.744 tors. eta vs tors. theta energy: -241.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2696.567151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.567151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.567151 (E_RNA) where: Base-Base interactions energy: -1818.072 where: short stacking energy: -833.243 Base-Backbone interact. energy: -4.588 local terms energy: -873.906702 where: bonds (distance) C4'-P energy: -155.331 bonds (distance) P-C4' energy: -174.348 flat angles C4'-P-C4' energy: -175.617 flat angles P-C4'-P energy: -126.464 tors. eta vs tors. theta energy: -242.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2519.273326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.273326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.273326 (E_RNA) where: Base-Base interactions energy: -1659.561 where: short stacking energy: -776.903 Base-Backbone interact. energy: -2.351 local terms energy: -857.361181 where: bonds (distance) C4'-P energy: -153.769 bonds (distance) P-C4' energy: -172.891 flat angles C4'-P-C4' energy: -197.015 flat angles P-C4'-P energy: -114.390 tors. eta vs tors. theta energy: -219.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2380.463864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.463864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.463864 (E_RNA) where: Base-Base interactions energy: -1530.292 where: short stacking energy: -726.721 Base-Backbone interact. energy: -4.405 local terms energy: -845.767131 where: bonds (distance) C4'-P energy: -156.143 bonds (distance) P-C4' energy: -174.864 flat angles C4'-P-C4' energy: -188.719 flat angles P-C4'-P energy: -132.702 tors. eta vs tors. theta energy: -193.339 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: 114 Temperature: 1.150000 Total energy: -2109.618692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.618692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.618692 (E_RNA) where: Base-Base interactions energy: -1382.347 where: short stacking energy: -634.983 Base-Backbone interact. energy: -3.013 local terms energy: -724.258577 where: bonds (distance) C4'-P energy: -156.021 bonds (distance) P-C4' energy: -151.560 flat angles C4'-P-C4' energy: -159.667 flat angles P-C4'-P energy: -98.176 tors. eta vs tors. theta energy: -158.835 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: 1 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1737.568898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.568898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.568898 (E_RNA) where: Base-Base interactions energy: -1088.683 where: short stacking energy: -521.170 Base-Backbone interact. energy: 1.097 local terms energy: -649.982901 where: bonds (distance) C4'-P energy: -137.268 bonds (distance) P-C4' energy: -162.742 flat angles C4'-P-C4' energy: -162.283 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -111.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1516.084821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.084821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.084821 (E_RNA) where: Base-Base interactions energy: -885.581 where: short stacking energy: -463.017 Base-Backbone interact. energy: 4.668 local terms energy: -635.172007 where: bonds (distance) C4'-P energy: -141.834 bonds (distance) P-C4' energy: -150.701 flat angles C4'-P-C4' energy: -167.245 flat angles P-C4'-P energy: -93.318 tors. eta vs tors. theta energy: -82.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -936.068089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.068089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.068089 (E_RNA) where: Base-Base interactions energy: -454.790 where: short stacking energy: -291.582 Base-Backbone interact. energy: 1.936 local terms energy: -483.213842 where: bonds (distance) C4'-P energy: -147.567 bonds (distance) P-C4' energy: -164.467 flat angles C4'-P-C4' energy: -117.507 flat angles P-C4'-P energy: -70.169 tors. eta vs tors. theta energy: 16.496 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: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -701.415715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.415715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.415715 (E_RNA) where: Base-Base interactions energy: -265.420 where: short stacking energy: -176.162 Base-Backbone interact. energy: 1.597 local terms energy: -437.592541 where: bonds (distance) C4'-P energy: -137.121 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -129.894 flat angles P-C4'-P energy: -75.508 tors. eta vs tors. theta energy: 57.493 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: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3057.605270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.605270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.605270 (E_RNA) where: Base-Base interactions energy: -2054.107 where: short stacking energy: -980.303 Base-Backbone interact. energy: -0.024 local terms energy: -1003.473897 where: bonds (distance) C4'-P energy: -182.295 bonds (distance) P-C4' energy: -177.800 flat angles C4'-P-C4' energy: -208.081 flat angles P-C4'-P energy: -150.122 tors. eta vs tors. theta energy: -285.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2849.240123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.240123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.240123 (E_RNA) where: Base-Base interactions energy: -1920.050 where: short stacking energy: -842.135 Base-Backbone interact. energy: -5.267 local terms energy: -923.922998 where: bonds (distance) C4'-P energy: -182.885 bonds (distance) P-C4' energy: -189.331 flat angles C4'-P-C4' energy: -207.444 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -221.640 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: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2707.657936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.657936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.657936 (E_RNA) where: Base-Base interactions energy: -1783.855 where: short stacking energy: -837.125 Base-Backbone interact. energy: 2.117 local terms energy: -925.919766 where: bonds (distance) C4'-P energy: -173.790 bonds (distance) P-C4' energy: -195.624 flat angles C4'-P-C4' energy: -191.878 flat angles P-C4'-P energy: -130.437 tors. eta vs tors. theta energy: -234.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2549.660508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.660508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.660508 (E_RNA) where: Base-Base interactions energy: -1713.679 where: short stacking energy: -777.647 Base-Backbone interact. energy: -1.650 local terms energy: -834.331836 where: bonds (distance) C4'-P energy: -161.033 bonds (distance) P-C4' energy: -147.854 flat angles C4'-P-C4' energy: -194.291 flat angles P-C4'-P energy: -108.965 tors. eta vs tors. theta energy: -222.189 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: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2365.574847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.574847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.574847 (E_RNA) where: Base-Base interactions energy: -1544.857 where: short stacking energy: -723.220 Base-Backbone interact. energy: 2.038 local terms energy: -822.756086 where: bonds (distance) C4'-P energy: -170.452 bonds (distance) P-C4' energy: -175.241 flat angles C4'-P-C4' energy: -168.552 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -197.431 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: 115 Temperature: 1.150000 Total energy: -1997.284609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.284609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.284609 (E_RNA) where: Base-Base interactions energy: -1263.329 where: short stacking energy: -591.109 Base-Backbone interact. energy: -4.126 local terms energy: -729.830072 where: bonds (distance) C4'-P energy: -148.036 bonds (distance) P-C4' energy: -154.517 flat angles C4'-P-C4' energy: -184.454 flat angles P-C4'-P energy: -100.509 tors. eta vs tors. theta energy: -142.314 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: 1 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1796.609338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.609338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.609338 (E_RNA) where: Base-Base interactions energy: -1086.702 where: short stacking energy: -519.599 Base-Backbone interact. energy: 7.013 local terms energy: -716.919547 where: bonds (distance) C4'-P energy: -165.564 bonds (distance) P-C4' energy: -154.752 flat angles C4'-P-C4' energy: -172.476 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -127.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1546.162181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.162181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.162181 (E_RNA) where: Base-Base interactions energy: -936.464 where: short stacking energy: -462.627 Base-Backbone interact. energy: 10.056 local terms energy: -619.753456 where: bonds (distance) C4'-P energy: -164.233 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -137.616 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -80.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -961.806343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.806343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.806343 (E_RNA) where: Base-Base interactions energy: -456.967 where: short stacking energy: -284.578 Base-Backbone interact. energy: 3.513 local terms energy: -508.352870 where: bonds (distance) C4'-P energy: -136.986 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -138.268 flat angles P-C4'-P energy: -68.230 tors. eta vs tors. theta energy: 9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -674.655508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.655508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.655508 (E_RNA) where: Base-Base interactions energy: -223.436 where: short stacking energy: -193.012 Base-Backbone interact. energy: -0.313 local terms energy: -450.906219 where: bonds (distance) C4'-P energy: -126.765 bonds (distance) P-C4' energy: -162.850 flat angles C4'-P-C4' energy: -137.204 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: 36.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3086.176312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.176312 (E_RNA) where: Base-Base interactions energy: -2112.971 where: short stacking energy: -999.221 Base-Backbone interact. energy: -2.694 local terms energy: -970.510508 where: bonds (distance) C4'-P energy: -172.280 bonds (distance) P-C4' energy: -166.211 flat angles C4'-P-C4' energy: -206.541 flat angles P-C4'-P energy: -133.379 tors. eta vs tors. theta energy: -292.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2924.623814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.623814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.623814 (E_RNA) where: Base-Base interactions energy: -1994.381 where: short stacking energy: -894.981 Base-Backbone interact. energy: 2.148 local terms energy: -932.390051 where: bonds (distance) C4'-P energy: -181.673 bonds (distance) P-C4' energy: -173.206 flat angles C4'-P-C4' energy: -209.882 flat angles P-C4'-P energy: -123.729 tors. eta vs tors. theta energy: -243.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2714.614837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.614837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.614837 (E_RNA) where: Base-Base interactions energy: -1822.389 where: short stacking energy: -837.764 Base-Backbone interact. energy: -2.516 local terms energy: -889.709287 where: bonds (distance) C4'-P energy: -164.036 bonds (distance) P-C4' energy: -174.699 flat angles C4'-P-C4' energy: -188.865 flat angles P-C4'-P energy: -126.985 tors. eta vs tors. theta energy: -235.124 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: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2539.004442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.004442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.004442 (E_RNA) where: Base-Base interactions energy: -1690.051 where: short stacking energy: -792.151 Base-Backbone interact. energy: -1.897 local terms energy: -847.056367 where: bonds (distance) C4'-P energy: -164.185 bonds (distance) P-C4' energy: -171.073 flat angles C4'-P-C4' energy: -194.025 flat angles P-C4'-P energy: -101.636 tors. eta vs tors. theta energy: -216.137 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: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2297.999693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.999693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.999693 (E_RNA) where: Base-Base interactions energy: -1468.370 where: short stacking energy: -700.721 Base-Backbone interact. energy: -2.181 local terms energy: -827.448064 where: bonds (distance) C4'-P energy: -168.056 bonds (distance) P-C4' energy: -165.930 flat angles C4'-P-C4' energy: -187.110 flat angles P-C4'-P energy: -112.079 tors. eta vs tors. theta energy: -194.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1965.870643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.870643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.870643 (E_RNA) where: Base-Base interactions energy: -1246.138 where: short stacking energy: -581.777 Base-Backbone interact. energy: 4.504 local terms energy: -724.236755 where: bonds (distance) C4'-P energy: -145.810 bonds (distance) P-C4' energy: -165.642 flat angles C4'-P-C4' energy: -184.615 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -131.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1824.324927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.324927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.324927 (E_RNA) where: Base-Base interactions energy: -1124.270 where: short stacking energy: -516.179 Base-Backbone interact. energy: -3.212 local terms energy: -696.842356 where: bonds (distance) C4'-P energy: -142.191 bonds (distance) P-C4' energy: -160.468 flat angles C4'-P-C4' energy: -174.500 flat angles P-C4'-P energy: -109.781 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1582.423043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.423043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.423043 (E_RNA) where: Base-Base interactions energy: -958.197 where: short stacking energy: -481.416 Base-Backbone interact. energy: 3.462 local terms energy: -627.688062 where: bonds (distance) C4'-P energy: -137.898 bonds (distance) P-C4' energy: -146.167 flat angles C4'-P-C4' energy: -150.649 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -94.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -946.487506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.487506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.487506 (E_RNA) where: Base-Base interactions energy: -400.350 where: short stacking energy: -285.703 Base-Backbone interact. energy: 0.292 local terms energy: -546.429920 where: bonds (distance) C4'-P energy: -123.186 bonds (distance) P-C4' energy: -163.262 flat angles C4'-P-C4' energy: -145.275 flat angles P-C4'-P energy: -91.106 tors. eta vs tors. theta energy: -23.601 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: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -696.416880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.416880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.416880 (E_RNA) where: Base-Base interactions energy: -206.004 where: short stacking energy: -182.477 Base-Backbone interact. energy: 2.885 local terms energy: -493.298176 where: bonds (distance) C4'-P energy: -142.568 bonds (distance) P-C4' energy: -156.311 flat angles C4'-P-C4' energy: -147.308 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: 35.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3080.565450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.565450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.565450 (E_RNA) where: Base-Base interactions energy: -2076.526 where: short stacking energy: -935.501 Base-Backbone interact. energy: -1.552 local terms energy: -1002.487606 where: bonds (distance) C4'-P energy: -195.222 bonds (distance) P-C4' energy: -161.897 flat angles C4'-P-C4' energy: -224.120 flat angles P-C4'-P energy: -141.686 tors. eta vs tors. theta energy: -279.562 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: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2929.277573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.277573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.277573 (E_RNA) where: Base-Base interactions energy: -2003.274 where: short stacking energy: -932.213 Base-Backbone interact. energy: -0.003 local terms energy: -926.000842 where: bonds (distance) C4'-P energy: -180.292 bonds (distance) P-C4' energy: -165.281 flat angles C4'-P-C4' energy: -203.251 flat angles P-C4'-P energy: -125.124 tors. eta vs tors. theta energy: -252.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2727.191828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.191828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.191828 (E_RNA) where: Base-Base interactions energy: -1818.863 where: short stacking energy: -805.676 Base-Backbone interact. energy: -0.303 local terms energy: -908.026276 where: bonds (distance) C4'-P energy: -169.976 bonds (distance) P-C4' energy: -171.261 flat angles C4'-P-C4' energy: -189.713 flat angles P-C4'-P energy: -135.426 tors. eta vs tors. theta energy: -241.651 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: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2516.841856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.841856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.841856 (E_RNA) where: Base-Base interactions energy: -1655.092 where: short stacking energy: -783.657 Base-Backbone interact. energy: 4.029 local terms energy: -865.778496 where: bonds (distance) C4'-P energy: -167.078 bonds (distance) P-C4' energy: -165.369 flat angles C4'-P-C4' energy: -180.232 flat angles P-C4'-P energy: -125.657 tors. eta vs tors. theta energy: -227.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2275.496048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.496048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.496048 (E_RNA) where: Base-Base interactions energy: -1470.637 where: short stacking energy: -696.231 Base-Backbone interact. energy: 1.065 local terms energy: -805.924869 where: bonds (distance) C4'-P energy: -154.392 bonds (distance) P-C4' energy: -159.372 flat angles C4'-P-C4' energy: -173.003 flat angles P-C4'-P energy: -127.463 tors. eta vs tors. theta energy: -191.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2058.244145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.244145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.244145 (E_RNA) where: Base-Base interactions energy: -1309.595 where: short stacking energy: -610.582 Base-Backbone interact. energy: -1.909 local terms energy: -746.740474 where: bonds (distance) C4'-P energy: -161.202 bonds (distance) P-C4' energy: -170.902 flat angles C4'-P-C4' energy: -164.784 flat angles P-C4'-P energy: -102.421 tors. eta vs tors. theta energy: -147.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1736.607893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.607893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.607893 (E_RNA) where: Base-Base interactions energy: -1022.265 where: short stacking energy: -484.601 Base-Backbone interact. energy: -0.286 local terms energy: -714.056889 where: bonds (distance) C4'-P energy: -149.688 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -182.171 flat angles P-C4'-P energy: -118.188 tors. eta vs tors. theta energy: -111.861 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: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1592.024665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.024665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.024665 (E_RNA) where: Base-Base interactions energy: -981.834 where: short stacking energy: -459.639 Base-Backbone interact. energy: 1.131 local terms energy: -611.321603 where: bonds (distance) C4'-P energy: -142.179 bonds (distance) P-C4' energy: -148.649 flat angles C4'-P-C4' energy: -143.171 flat angles P-C4'-P energy: -101.353 tors. eta vs tors. theta energy: -75.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -943.739958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.739958 (E_RNA) where: Base-Base interactions energy: -462.555 where: short stacking energy: -277.383 Base-Backbone interact. energy: 4.354 local terms energy: -485.539054 where: bonds (distance) C4'-P energy: -147.963 bonds (distance) P-C4' energy: -134.859 flat angles C4'-P-C4' energy: -127.091 flat angles P-C4'-P energy: -79.370 tors. eta vs tors. theta energy: 3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -682.720223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.720223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.720223 (E_RNA) where: Base-Base interactions energy: -247.577 where: short stacking energy: -208.319 Base-Backbone interact. energy: 3.084 local terms energy: -438.226954 where: bonds (distance) C4'-P energy: -136.579 bonds (distance) P-C4' energy: -155.721 flat angles C4'-P-C4' energy: -115.435 flat angles P-C4'-P energy: -63.199 tors. eta vs tors. theta energy: 32.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3092.995030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.995030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.995030 (E_RNA) where: Base-Base interactions energy: -2075.808 where: short stacking energy: -955.822 Base-Backbone interact. energy: -3.918 local terms energy: -1013.268933 where: bonds (distance) C4'-P energy: -174.598 bonds (distance) P-C4' energy: -183.611 flat angles C4'-P-C4' energy: -223.353 flat angles P-C4'-P energy: -149.060 tors. eta vs tors. theta energy: -282.646 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: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2933.705264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.705264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.705264 (E_RNA) where: Base-Base interactions energy: -2003.405 where: short stacking energy: -900.329 Base-Backbone interact. energy: 9.050 local terms energy: -939.350389 where: bonds (distance) C4'-P energy: -171.915 bonds (distance) P-C4' energy: -179.610 flat angles C4'-P-C4' energy: -211.126 flat angles P-C4'-P energy: -133.963 tors. eta vs tors. theta energy: -242.737 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: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2784.920868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.920868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.920868 (E_RNA) where: Base-Base interactions energy: -1881.511 where: short stacking energy: -841.240 Base-Backbone interact. energy: -2.565 local terms energy: -900.845015 where: bonds (distance) C4'-P energy: -176.882 bonds (distance) P-C4' energy: -172.952 flat angles C4'-P-C4' energy: -194.082 flat angles P-C4'-P energy: -116.892 tors. eta vs tors. theta energy: -240.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2545.596014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.596014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.596014 (E_RNA) where: Base-Base interactions energy: -1642.194 where: short stacking energy: -770.409 Base-Backbone interact. energy: -7.821 local terms energy: -895.581003 where: bonds (distance) C4'-P energy: -169.028 bonds (distance) P-C4' energy: -178.667 flat angles C4'-P-C4' energy: -200.526 flat angles P-C4'-P energy: -130.429 tors. eta vs tors. theta energy: -216.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2264.795313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.795313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.795313 (E_RNA) where: Base-Base interactions energy: -1490.374 where: short stacking energy: -698.327 Base-Backbone interact. energy: -1.831 local terms energy: -772.590576 where: bonds (distance) C4'-P energy: -154.616 bonds (distance) P-C4' energy: -142.689 flat angles C4'-P-C4' energy: -195.210 flat angles P-C4'-P energy: -105.182 tors. eta vs tors. theta energy: -174.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2052.956714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.956714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.956714 (E_RNA) where: Base-Base interactions energy: -1313.603 where: short stacking energy: -596.604 Base-Backbone interact. energy: -2.612 local terms energy: -736.741390 where: bonds (distance) C4'-P energy: -158.102 bonds (distance) P-C4' energy: -156.822 flat angles C4'-P-C4' energy: -180.863 flat angles P-C4'-P energy: -98.815 tors. eta vs tors. theta energy: -142.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1737.582784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.582784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.582784 (E_RNA) where: Base-Base interactions energy: -1089.673 where: short stacking energy: -550.389 Base-Backbone interact. energy: 7.113 local terms energy: -655.022263 where: bonds (distance) C4'-P energy: -141.200 bonds (distance) P-C4' energy: -158.103 flat angles C4'-P-C4' energy: -139.776 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -111.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1543.558480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.558480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.558480 (E_RNA) where: Base-Base interactions energy: -963.022 where: short stacking energy: -468.281 Base-Backbone interact. energy: -3.462 local terms energy: -577.074301 where: bonds (distance) C4'-P energy: -157.086 bonds (distance) P-C4' energy: -144.818 flat angles C4'-P-C4' energy: -139.437 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -66.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -732.579880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.579880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.579880 (E_RNA) where: Base-Base interactions energy: -244.542 where: short stacking energy: -212.328 Base-Backbone interact. energy: 2.337 local terms energy: -490.374830 where: bonds (distance) C4'-P energy: -136.781 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -137.207 flat angles P-C4'-P energy: -80.033 tors. eta vs tors. theta energy: 11.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -896.054671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.054671 (E_RNA) where: Base-Base interactions energy: -431.507 where: short stacking energy: -240.066 Base-Backbone interact. energy: 10.652 local terms energy: -475.199479 where: bonds (distance) C4'-P energy: -129.645 bonds (distance) P-C4' energy: -158.453 flat angles C4'-P-C4' energy: -133.203 flat angles P-C4'-P energy: -72.807 tors. eta vs tors. theta energy: 18.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3067.328586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.328586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.328586 (E_RNA) where: Base-Base interactions energy: -2074.231 where: short stacking energy: -971.777 Base-Backbone interact. energy: 2.800 local terms energy: -995.897739 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -185.494 flat angles C4'-P-C4' energy: -213.618 flat angles P-C4'-P energy: -145.298 tors. eta vs tors. theta energy: -294.446 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: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2887.669886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.669886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.669886 (E_RNA) where: Base-Base interactions energy: -1973.169 where: short stacking energy: -860.754 Base-Backbone interact. energy: -5.056 local terms energy: -909.445014 where: bonds (distance) C4'-P energy: -185.365 bonds (distance) P-C4' energy: -173.485 flat angles C4'-P-C4' energy: -183.663 flat angles P-C4'-P energy: -122.054 tors. eta vs tors. theta energy: -244.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2786.891142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.891142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.891142 (E_RNA) where: Base-Base interactions energy: -1842.256 where: short stacking energy: -874.957 Base-Backbone interact. energy: 0.799 local terms energy: -945.433468 where: bonds (distance) C4'-P energy: -177.279 bonds (distance) P-C4' energy: -179.128 flat angles C4'-P-C4' energy: -215.630 flat angles P-C4'-P energy: -131.509 tors. eta vs tors. theta energy: -241.888 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: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2574.086749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.086749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.086749 (E_RNA) where: Base-Base interactions energy: -1711.700 where: short stacking energy: -794.734 Base-Backbone interact. energy: -2.232 local terms energy: -860.154913 where: bonds (distance) C4'-P energy: -152.190 bonds (distance) P-C4' energy: -162.632 flat angles C4'-P-C4' energy: -207.547 flat angles P-C4'-P energy: -113.691 tors. eta vs tors. theta energy: -224.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2291.634029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.634029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.634029 (E_RNA) where: Base-Base interactions energy: -1480.937 where: short stacking energy: -684.628 Base-Backbone interact. energy: -0.261 local terms energy: -810.436837 where: bonds (distance) C4'-P energy: -171.450 bonds (distance) P-C4' energy: -158.528 flat angles C4'-P-C4' energy: -177.393 flat angles P-C4'-P energy: -116.984 tors. eta vs tors. theta energy: -186.082 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: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2102.011058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.011058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.011058 (E_RNA) where: Base-Base interactions energy: -1354.943 where: short stacking energy: -604.324 Base-Backbone interact. energy: 1.425 local terms energy: -748.492681 where: bonds (distance) C4'-P energy: -159.932 bonds (distance) P-C4' energy: -179.800 flat angles C4'-P-C4' energy: -175.374 flat angles P-C4'-P energy: -99.631 tors. eta vs tors. theta energy: -133.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1713.518599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.518599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.518599 (E_RNA) where: Base-Base interactions energy: -1002.822 where: short stacking energy: -482.392 Base-Backbone interact. energy: -3.096 local terms energy: -707.601158 where: bonds (distance) C4'-P energy: -158.276 bonds (distance) P-C4' energy: -165.612 flat angles C4'-P-C4' energy: -166.650 flat angles P-C4'-P energy: -101.026 tors. eta vs tors. theta energy: -116.036 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: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1634.444221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.444221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.444221 (E_RNA) where: Base-Base interactions energy: -1003.700 where: short stacking energy: -456.105 Base-Backbone interact. energy: 2.185 local terms energy: -632.928893 where: bonds (distance) C4'-P energy: -151.127 bonds (distance) P-C4' energy: -165.196 flat angles C4'-P-C4' energy: -149.086 flat angles P-C4'-P energy: -102.728 tors. eta vs tors. theta energy: -64.792 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: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -767.679510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.679510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.679510 (E_RNA) where: Base-Base interactions energy: -260.610 where: short stacking energy: -207.339 Base-Backbone interact. energy: 0.651 local terms energy: -507.719647 where: bonds (distance) C4'-P energy: -142.884 bonds (distance) P-C4' energy: -152.162 flat angles C4'-P-C4' energy: -147.986 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: 22.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1015.474876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.474876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.474876 (E_RNA) where: Base-Base interactions energy: -518.065 where: short stacking energy: -290.280 Base-Backbone interact. energy: 9.237 local terms energy: -506.646289 where: bonds (distance) C4'-P energy: -132.576 bonds (distance) P-C4' energy: -148.265 flat angles C4'-P-C4' energy: -128.471 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -7.533 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: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3116.642232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.642232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.642232 (E_RNA) where: Base-Base interactions energy: -2087.124 where: short stacking energy: -977.973 Base-Backbone interact. energy: -3.134 local terms energy: -1026.383692 where: bonds (distance) C4'-P energy: -197.242 bonds (distance) P-C4' energy: -177.777 flat angles C4'-P-C4' energy: -206.904 flat angles P-C4'-P energy: -147.845 tors. eta vs tors. theta energy: -296.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2913.449984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.449984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.449984 (E_RNA) where: Base-Base interactions energy: -1979.562 where: short stacking energy: -872.349 Base-Backbone interact. energy: -4.366 local terms energy: -929.521854 where: bonds (distance) C4'-P energy: -198.182 bonds (distance) P-C4' energy: -175.962 flat angles C4'-P-C4' energy: -188.466 flat angles P-C4'-P energy: -120.568 tors. eta vs tors. theta energy: -246.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2773.120327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.120327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.120327 (E_RNA) where: Base-Base interactions energy: -1854.480 where: short stacking energy: -849.491 Base-Backbone interact. energy: -1.937 local terms energy: -916.704096 where: bonds (distance) C4'-P energy: -171.699 bonds (distance) P-C4' energy: -176.824 flat angles C4'-P-C4' energy: -211.754 flat angles P-C4'-P energy: -127.019 tors. eta vs tors. theta energy: -229.409 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: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2546.553364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.553364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.553364 (E_RNA) where: Base-Base interactions energy: -1694.527 where: short stacking energy: -745.572 Base-Backbone interact. energy: -3.995 local terms energy: -848.031406 where: bonds (distance) C4'-P energy: -179.510 bonds (distance) P-C4' energy: -165.809 flat angles C4'-P-C4' energy: -193.767 flat angles P-C4'-P energy: -106.302 tors. eta vs tors. theta energy: -202.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2374.111131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.111131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.111131 (E_RNA) where: Base-Base interactions energy: -1570.319 where: short stacking energy: -706.498 Base-Backbone interact. energy: -2.579 local terms energy: -801.213391 where: bonds (distance) C4'-P energy: -163.410 bonds (distance) P-C4' energy: -152.484 flat angles C4'-P-C4' energy: -179.414 flat angles P-C4'-P energy: -118.382 tors. eta vs tors. theta energy: -187.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2130.776187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.776187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.776187 (E_RNA) where: Base-Base interactions energy: -1381.977 where: short stacking energy: -612.270 Base-Backbone interact. energy: 2.608 local terms energy: -751.407457 where: bonds (distance) C4'-P energy: -156.182 bonds (distance) P-C4' energy: -164.322 flat angles C4'-P-C4' energy: -175.287 flat angles P-C4'-P energy: -108.906 tors. eta vs tors. theta energy: -146.711 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: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1744.644450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.644450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.644450 (E_RNA) where: Base-Base interactions energy: -1060.658 where: short stacking energy: -528.831 Base-Backbone interact. energy: -1.779 local terms energy: -682.207240 where: bonds (distance) C4'-P energy: -152.873 bonds (distance) P-C4' energy: -165.063 flat angles C4'-P-C4' energy: -168.726 flat angles P-C4'-P energy: -101.838 tors. eta vs tors. theta energy: -93.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1623.092030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.092030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.092030 (E_RNA) where: Base-Base interactions energy: -1010.084 where: short stacking energy: -479.403 Base-Backbone interact. energy: 0.852 local terms energy: -613.859759 where: bonds (distance) C4'-P energy: -150.118 bonds (distance) P-C4' energy: -158.351 flat angles C4'-P-C4' energy: -141.124 flat angles P-C4'-P energy: -76.406 tors. eta vs tors. theta energy: -87.861 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: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1173.039366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.039366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.039366 (E_RNA) where: Base-Base interactions energy: -645.457 where: short stacking energy: -335.420 Base-Backbone interact. energy: 3.892 local terms energy: -531.473745 where: bonds (distance) C4'-P energy: -138.560 bonds (distance) P-C4' energy: -161.998 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -98.706 tors. eta vs tors. theta energy: -9.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -710.358612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.358612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.358612 (E_RNA) where: Base-Base interactions energy: -243.974 where: short stacking energy: -174.818 Base-Backbone interact. energy: 6.276 local terms energy: -472.660276 where: bonds (distance) C4'-P energy: -135.296 bonds (distance) P-C4' energy: -157.608 flat angles C4'-P-C4' energy: -139.429 flat angles P-C4'-P energy: -80.573 tors. eta vs tors. theta energy: 40.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3077.630722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.630722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.630722 (E_RNA) where: Base-Base interactions energy: -2049.674 where: short stacking energy: -969.692 Base-Backbone interact. energy: -2.950 local terms energy: -1025.006896 where: bonds (distance) C4'-P energy: -184.831 bonds (distance) P-C4' energy: -192.961 flat angles C4'-P-C4' energy: -209.301 flat angles P-C4'-P energy: -154.451 tors. eta vs tors. theta energy: -283.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2921.358631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.358631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.358631 (E_RNA) where: Base-Base interactions energy: -1981.761 where: short stacking energy: -892.112 Base-Backbone interact. energy: 0.486 local terms energy: -940.084026 where: bonds (distance) C4'-P energy: -177.966 bonds (distance) P-C4' energy: -167.827 flat angles C4'-P-C4' energy: -210.193 flat angles P-C4'-P energy: -138.676 tors. eta vs tors. theta energy: -245.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2770.616732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.616732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.616732 (E_RNA) where: Base-Base interactions energy: -1825.786 where: short stacking energy: -829.665 Base-Backbone interact. energy: -5.962 local terms energy: -938.869083 where: bonds (distance) C4'-P energy: -175.341 bonds (distance) P-C4' energy: -182.346 flat angles C4'-P-C4' energy: -203.167 flat angles P-C4'-P energy: -138.525 tors. eta vs tors. theta energy: -239.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2625.296624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.296624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.296624 (E_RNA) where: Base-Base interactions energy: -1741.870 where: short stacking energy: -787.777 Base-Backbone interact. energy: -5.208 local terms energy: -878.219034 where: bonds (distance) C4'-P energy: -160.855 bonds (distance) P-C4' energy: -188.922 flat angles C4'-P-C4' energy: -193.051 flat angles P-C4'-P energy: -118.620 tors. eta vs tors. theta energy: -216.770 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: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2428.540719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.540719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.540719 (E_RNA) where: Base-Base interactions energy: -1615.737 where: short stacking energy: -749.862 Base-Backbone interact. energy: -1.014 local terms energy: -811.789358 where: bonds (distance) C4'-P energy: -163.544 bonds (distance) P-C4' energy: -150.666 flat angles C4'-P-C4' energy: -181.671 flat angles P-C4'-P energy: -115.054 tors. eta vs tors. theta energy: -200.854 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: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2127.453960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.453960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.453960 (E_RNA) where: Base-Base interactions energy: -1383.480 where: short stacking energy: -612.845 Base-Backbone interact. energy: 4.343 local terms energy: -748.317344 where: bonds (distance) C4'-P energy: -155.041 bonds (distance) P-C4' energy: -158.834 flat angles C4'-P-C4' energy: -175.912 flat angles P-C4'-P energy: -110.176 tors. eta vs tors. theta energy: -148.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1733.459172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.459172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.459172 (E_RNA) where: Base-Base interactions energy: -998.169 where: short stacking energy: -521.565 Base-Backbone interact. energy: 0.743 local terms energy: -736.033097 where: bonds (distance) C4'-P energy: -171.371 bonds (distance) P-C4' energy: -173.466 flat angles C4'-P-C4' energy: -154.426 flat angles P-C4'-P energy: -105.936 tors. eta vs tors. theta energy: -130.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1593.618277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.618277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.618277 (E_RNA) where: Base-Base interactions energy: -1007.189 where: short stacking energy: -482.001 Base-Backbone interact. energy: 2.507 local terms energy: -588.936120 where: bonds (distance) C4'-P energy: -139.426 bonds (distance) P-C4' energy: -130.938 flat angles C4'-P-C4' energy: -167.340 flat angles P-C4'-P energy: -68.745 tors. eta vs tors. theta energy: -82.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1183.354173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.354173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.354173 (E_RNA) where: Base-Base interactions energy: -688.582 where: short stacking energy: -366.804 Base-Backbone interact. energy: 9.846 local terms energy: -504.617750 where: bonds (distance) C4'-P energy: -160.096 bonds (distance) P-C4' energy: -152.678 flat angles C4'-P-C4' energy: -101.070 flat angles P-C4'-P energy: -59.867 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: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -798.117980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.117980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.117980 (E_RNA) where: Base-Base interactions energy: -343.454 where: short stacking energy: -221.504 Base-Backbone interact. energy: 2.579 local terms energy: -457.242551 where: bonds (distance) C4'-P energy: -144.970 bonds (distance) P-C4' energy: -146.903 flat angles C4'-P-C4' energy: -131.675 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: 26.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3126.314986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.314986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.314986 (E_RNA) where: Base-Base interactions energy: -2140.491 where: short stacking energy: -990.623 Base-Backbone interact. energy: -0.200 local terms energy: -985.624478 where: bonds (distance) C4'-P energy: -169.747 bonds (distance) P-C4' energy: -183.228 flat angles C4'-P-C4' energy: -213.327 flat angles P-C4'-P energy: -127.701 tors. eta vs tors. theta energy: -291.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2870.915740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.915740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.915740 (E_RNA) where: Base-Base interactions energy: -1952.451 where: short stacking energy: -867.578 Base-Backbone interact. energy: -4.499 local terms energy: -913.966063 where: bonds (distance) C4'-P energy: -159.119 bonds (distance) P-C4' energy: -192.825 flat angles C4'-P-C4' energy: -207.295 flat angles P-C4'-P energy: -122.222 tors. eta vs tors. theta energy: -232.504 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: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2802.522189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.522189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.522189 (E_RNA) where: Base-Base interactions energy: -1877.987 where: short stacking energy: -879.710 Base-Backbone interact. energy: -0.850 local terms energy: -923.684879 where: bonds (distance) C4'-P energy: -153.836 bonds (distance) P-C4' energy: -173.589 flat angles C4'-P-C4' energy: -194.738 flat angles P-C4'-P energy: -134.183 tors. eta vs tors. theta energy: -267.339 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: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2544.795065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.795065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.795065 (E_RNA) where: Base-Base interactions energy: -1682.229 where: short stacking energy: -764.980 Base-Backbone interact. energy: -4.432 local terms energy: -858.134116 where: bonds (distance) C4'-P energy: -177.940 bonds (distance) P-C4' energy: -167.469 flat angles C4'-P-C4' energy: -180.285 flat angles P-C4'-P energy: -121.433 tors. eta vs tors. theta energy: -211.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2451.550384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.550384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.550384 (E_RNA) where: Base-Base interactions energy: -1609.212 where: short stacking energy: -738.111 Base-Backbone interact. energy: -2.233 local terms energy: -840.105052 where: bonds (distance) C4'-P energy: -158.299 bonds (distance) P-C4' energy: -188.338 flat angles C4'-P-C4' energy: -174.211 flat angles P-C4'-P energy: -112.172 tors. eta vs tors. theta energy: -207.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2154.809072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.809072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.809072 (E_RNA) where: Base-Base interactions energy: -1439.193 where: short stacking energy: -617.569 Base-Backbone interact. energy: 0.661 local terms energy: -716.277236 where: bonds (distance) C4'-P energy: -150.242 bonds (distance) P-C4' energy: -140.923 flat angles C4'-P-C4' energy: -164.941 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -151.511 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: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1745.014468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.014468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.014468 (E_RNA) where: Base-Base interactions energy: -1060.330 where: short stacking energy: -533.249 Base-Backbone interact. energy: -0.841 local terms energy: -683.843657 where: bonds (distance) C4'-P energy: -158.747 bonds (distance) P-C4' energy: -150.347 flat angles C4'-P-C4' energy: -147.568 flat angles P-C4'-P energy: -112.733 tors. eta vs tors. theta energy: -114.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1515.366432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.366432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.366432 (E_RNA) where: Base-Base interactions energy: -899.687 where: short stacking energy: -455.488 Base-Backbone interact. energy: 14.518 local terms energy: -630.196797 where: bonds (distance) C4'-P energy: -146.197 bonds (distance) P-C4' energy: -167.154 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -93.390 tors. eta vs tors. theta energy: -68.777 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: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1188.128029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.128029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.128029 (E_RNA) where: Base-Base interactions energy: -655.416 where: short stacking energy: -367.394 Base-Backbone interact. energy: 0.152 local terms energy: -532.864379 where: bonds (distance) C4'-P energy: -138.985 bonds (distance) P-C4' energy: -145.653 flat angles C4'-P-C4' energy: -146.565 flat angles P-C4'-P energy: -79.777 tors. eta vs tors. theta energy: -21.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -791.111507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.111507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.111507 (E_RNA) where: Base-Base interactions energy: -326.446 where: short stacking energy: -208.771 Base-Backbone interact. energy: 1.517 local terms energy: -466.181987 where: bonds (distance) C4'-P energy: -138.046 bonds (distance) P-C4' energy: -152.811 flat angles C4'-P-C4' energy: -119.287 flat angles P-C4'-P energy: -67.939 tors. eta vs tors. theta energy: 11.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -3121.713262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.713262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.713262 (E_RNA) where: Base-Base interactions energy: -2105.099 where: short stacking energy: -973.721 Base-Backbone interact. energy: 3.291 local terms energy: -1019.905313 where: bonds (distance) C4'-P energy: -180.232 bonds (distance) P-C4' energy: -189.240 flat angles C4'-P-C4' energy: -216.007 flat angles P-C4'-P energy: -148.180 tors. eta vs tors. theta energy: -286.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2895.131175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.131175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.131175 (E_RNA) where: Base-Base interactions energy: -1954.360 where: short stacking energy: -892.048 Base-Backbone interact. energy: -0.676 local terms energy: -940.094262 where: bonds (distance) C4'-P energy: -185.998 bonds (distance) P-C4' energy: -183.000 flat angles C4'-P-C4' energy: -197.383 flat angles P-C4'-P energy: -142.300 tors. eta vs tors. theta energy: -231.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2819.803579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.803579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.803579 (E_RNA) where: Base-Base interactions energy: -1918.424 where: short stacking energy: -853.216 Base-Backbone interact. energy: -1.811 local terms energy: -899.568930 where: bonds (distance) C4'-P energy: -169.288 bonds (distance) P-C4' energy: -166.562 flat angles C4'-P-C4' energy: -196.097 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -255.531 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: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2559.040800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.040800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.040800 (E_RNA) where: Base-Base interactions energy: -1714.396 where: short stacking energy: -766.565 Base-Backbone interact. energy: -2.576 local terms energy: -842.069553 where: bonds (distance) C4'-P energy: -164.447 bonds (distance) P-C4' energy: -171.604 flat angles C4'-P-C4' energy: -169.515 flat angles P-C4'-P energy: -110.978 tors. eta vs tors. theta energy: -225.526 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: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2429.746668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.746668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.746668 (E_RNA) where: Base-Base interactions energy: -1589.638 where: short stacking energy: -733.666 Base-Backbone interact. energy: -2.668 local terms energy: -837.441242 where: bonds (distance) C4'-P energy: -163.094 bonds (distance) P-C4' energy: -173.297 flat angles C4'-P-C4' energy: -172.757 flat angles P-C4'-P energy: -127.393 tors. eta vs tors. theta energy: -200.900 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2086.650716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.650716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.650716 (E_RNA) where: Base-Base interactions energy: -1330.662 where: short stacking energy: -575.642 Base-Backbone interact. energy: -2.276 local terms energy: -753.712849 where: bonds (distance) C4'-P energy: -173.318 bonds (distance) P-C4' energy: -181.611 flat angles C4'-P-C4' energy: -169.964 flat angles P-C4'-P energy: -124.638 tors. eta vs tors. theta energy: -104.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1752.116952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.116952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.116952 (E_RNA) where: Base-Base interactions energy: -1087.199 where: short stacking energy: -526.337 Base-Backbone interact. energy: -0.997 local terms energy: -663.920398 where: bonds (distance) C4'-P energy: -140.538 bonds (distance) P-C4' energy: -155.244 flat angles C4'-P-C4' energy: -150.326 flat angles P-C4'-P energy: -105.954 tors. eta vs tors. theta energy: -111.859 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: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1525.371529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.371529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.371529 (E_RNA) where: Base-Base interactions energy: -917.240 where: short stacking energy: -458.115 Base-Backbone interact. energy: -4.373 local terms energy: -603.758224 where: bonds (distance) C4'-P energy: -144.673 bonds (distance) P-C4' energy: -153.812 flat angles C4'-P-C4' energy: -132.473 flat angles P-C4'-P energy: -97.922 tors. eta vs tors. theta energy: -74.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1197.420646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.420646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.420646 (E_RNA) where: Base-Base interactions energy: -652.694 where: short stacking energy: -332.713 Base-Backbone interact. energy: -3.408 local terms energy: -541.318694 where: bonds (distance) C4'-P energy: -149.572 bonds (distance) P-C4' energy: -152.064 flat angles C4'-P-C4' energy: -153.731 flat angles P-C4'-P energy: -70.638 tors. eta vs tors. theta energy: -15.313 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: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -824.028087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.028087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.028087 (E_RNA) where: Base-Base interactions energy: -362.133 where: short stacking energy: -256.027 Base-Backbone interact. energy: 8.082 local terms energy: -469.977042 where: bonds (distance) C4'-P energy: -121.835 bonds (distance) P-C4' energy: -171.449 flat angles C4'-P-C4' energy: -130.992 flat angles P-C4'-P energy: -59.442 tors. eta vs tors. theta energy: 13.741 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: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3106.252761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.252761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.252761 (E_RNA) where: Base-Base interactions energy: -2085.566 where: short stacking energy: -968.539 Base-Backbone interact. energy: -1.399 local terms energy: -1019.288500 where: bonds (distance) C4'-P energy: -169.650 bonds (distance) P-C4' energy: -202.542 flat angles C4'-P-C4' energy: -214.371 flat angles P-C4'-P energy: -140.071 tors. eta vs tors. theta energy: -292.655 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: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2927.560655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.560655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.560655 (E_RNA) where: Base-Base interactions energy: -1990.194 where: short stacking energy: -882.185 Base-Backbone interact. energy: -2.786 local terms energy: -934.580607 where: bonds (distance) C4'-P energy: -158.248 bonds (distance) P-C4' energy: -178.217 flat angles C4'-P-C4' energy: -210.497 flat angles P-C4'-P energy: -135.824 tors. eta vs tors. theta energy: -251.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2810.745853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.745853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.745853 (E_RNA) where: Base-Base interactions energy: -1909.536 where: short stacking energy: -873.561 Base-Backbone interact. energy: -4.261 local terms energy: -896.948742 where: bonds (distance) C4'-P energy: -157.586 bonds (distance) P-C4' energy: -176.693 flat angles C4'-P-C4' energy: -194.122 flat angles P-C4'-P energy: -116.433 tors. eta vs tors. theta energy: -252.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2553.303860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.303860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.303860 (E_RNA) where: Base-Base interactions energy: -1675.018 where: short stacking energy: -765.703 Base-Backbone interact. energy: -3.816 local terms energy: -874.469884 where: bonds (distance) C4'-P energy: -167.038 bonds (distance) P-C4' energy: -182.586 flat angles C4'-P-C4' energy: -187.818 flat angles P-C4'-P energy: -131.986 tors. eta vs tors. theta energy: -205.042 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: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2410.623904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.623904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.623904 (E_RNA) where: Base-Base interactions energy: -1596.057 where: short stacking energy: -720.246 Base-Backbone interact. energy: -2.707 local terms energy: -811.860155 where: bonds (distance) C4'-P energy: -160.289 bonds (distance) P-C4' energy: -168.814 flat angles C4'-P-C4' energy: -191.314 flat angles P-C4'-P energy: -111.094 tors. eta vs tors. theta energy: -180.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2064.757543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.757543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.757543 (E_RNA) where: Base-Base interactions energy: -1315.308 where: short stacking energy: -599.798 Base-Backbone interact. energy: -1.264 local terms energy: -748.185247 where: bonds (distance) C4'-P energy: -167.384 bonds (distance) P-C4' energy: -168.563 flat angles C4'-P-C4' energy: -165.294 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -140.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1714.727326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.727326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.727326 (E_RNA) where: Base-Base interactions energy: -1057.508 where: short stacking energy: -497.825 Base-Backbone interact. energy: 1.096 local terms energy: -658.315457 where: bonds (distance) C4'-P energy: -156.476 bonds (distance) P-C4' energy: -165.635 flat angles C4'-P-C4' energy: -153.880 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: -103.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1467.089218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.089218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.089218 (E_RNA) where: Base-Base interactions energy: -878.833 where: short stacking energy: -445.397 Base-Backbone interact. energy: -1.372 local terms energy: -586.883814 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -154.229 flat angles C4'-P-C4' energy: -144.601 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -80.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1122.306037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.306037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.306037 (E_RNA) where: Base-Base interactions energy: -582.135 where: short stacking energy: -331.965 Base-Backbone interact. energy: 0.079 local terms energy: -540.250753 where: bonds (distance) C4'-P energy: -149.081 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -145.061 flat angles P-C4'-P energy: -79.752 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: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -864.414654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.414654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.414654 (E_RNA) where: Base-Base interactions energy: -388.584 where: short stacking energy: -243.864 Base-Backbone interact. energy: 0.795 local terms energy: -476.625531 where: bonds (distance) C4'-P energy: -134.880 bonds (distance) P-C4' energy: -153.375 flat angles C4'-P-C4' energy: -125.360 flat angles P-C4'-P energy: -75.016 tors. eta vs tors. theta energy: 12.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3096.039159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.039159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.039159 (E_RNA) where: Base-Base interactions energy: -2065.730 where: short stacking energy: -954.800 Base-Backbone interact. energy: -1.781 local terms energy: -1028.528024 where: bonds (distance) C4'-P energy: -186.123 bonds (distance) P-C4' energy: -188.368 flat angles C4'-P-C4' energy: -212.285 flat angles P-C4'-P energy: -150.043 tors. eta vs tors. theta energy: -291.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2871.810338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.810338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.810338 (E_RNA) where: Base-Base interactions energy: -1925.241 where: short stacking energy: -864.776 Base-Backbone interact. energy: -2.351 local terms energy: -944.218577 where: bonds (distance) C4'-P energy: -178.897 bonds (distance) P-C4' energy: -185.139 flat angles C4'-P-C4' energy: -205.045 flat angles P-C4'-P energy: -132.500 tors. eta vs tors. theta energy: -242.637 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: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2809.169766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.169766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.169766 (E_RNA) where: Base-Base interactions energy: -1868.462 where: short stacking energy: -845.435 Base-Backbone interact. energy: 3.027 local terms energy: -943.734412 where: bonds (distance) C4'-P energy: -182.061 bonds (distance) P-C4' energy: -194.054 flat angles C4'-P-C4' energy: -196.035 flat angles P-C4'-P energy: -118.872 tors. eta vs tors. theta energy: -252.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2544.437004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.437004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.437004 (E_RNA) where: Base-Base interactions energy: -1668.472 where: short stacking energy: -760.636 Base-Backbone interact. energy: 0.300 local terms energy: -876.264914 where: bonds (distance) C4'-P energy: -175.276 bonds (distance) P-C4' energy: -175.220 flat angles C4'-P-C4' energy: -186.267 flat angles P-C4'-P energy: -117.958 tors. eta vs tors. theta energy: -221.544 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: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2441.370084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.370084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.370084 (E_RNA) where: Base-Base interactions energy: -1649.050 where: short stacking energy: -712.907 Base-Backbone interact. energy: 3.060 local terms energy: -795.380014 where: bonds (distance) C4'-P energy: -141.477 bonds (distance) P-C4' energy: -165.564 flat angles C4'-P-C4' energy: -184.948 flat angles P-C4'-P energy: -108.925 tors. eta vs tors. theta energy: -194.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1937.333647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.333647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.333647 (E_RNA) where: Base-Base interactions energy: -1220.863 where: short stacking energy: -560.844 Base-Backbone interact. energy: -5.317 local terms energy: -711.153602 where: bonds (distance) C4'-P energy: -162.337 bonds (distance) P-C4' energy: -165.302 flat angles C4'-P-C4' energy: -162.186 flat angles P-C4'-P energy: -105.833 tors. eta vs tors. theta energy: -115.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1751.799013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.799013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.799013 (E_RNA) where: Base-Base interactions energy: -1098.368 where: short stacking energy: -513.135 Base-Backbone interact. energy: -0.982 local terms energy: -652.448712 where: bonds (distance) C4'-P energy: -154.087 bonds (distance) P-C4' energy: -166.333 flat angles C4'-P-C4' energy: -138.111 flat angles P-C4'-P energy: -89.024 tors. eta vs tors. theta energy: -104.894 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: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1548.938568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.938568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.938568 (E_RNA) where: Base-Base interactions energy: -934.228 where: short stacking energy: -447.249 Base-Backbone interact. energy: 6.691 local terms energy: -621.401445 where: bonds (distance) C4'-P energy: -136.705 bonds (distance) P-C4' energy: -156.292 flat angles C4'-P-C4' energy: -147.478 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -78.097 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: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1221.440166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.440166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.440166 (E_RNA) where: Base-Base interactions energy: -681.681 where: short stacking energy: -356.073 Base-Backbone interact. energy: 3.470 local terms energy: -543.229656 where: bonds (distance) C4'-P energy: -141.405 bonds (distance) P-C4' energy: -142.606 flat angles C4'-P-C4' energy: -120.286 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -49.264 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -833.596473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.596473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.596473 (E_RNA) where: Base-Base interactions energy: -365.896 where: short stacking energy: -232.657 Base-Backbone interact. energy: 10.813 local terms energy: -478.513588 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -176.762 flat angles C4'-P-C4' energy: -119.798 flat angles P-C4'-P energy: -69.417 tors. eta vs tors. theta energy: 27.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3091.944697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.944697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.944697 (E_RNA) where: Base-Base interactions energy: -2095.325 where: short stacking energy: -987.882 Base-Backbone interact. energy: -6.038 local terms energy: -990.581391 where: bonds (distance) C4'-P energy: -179.593 bonds (distance) P-C4' energy: -185.603 flat angles C4'-P-C4' energy: -219.450 flat angles P-C4'-P energy: -119.469 tors. eta vs tors. theta energy: -286.467 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: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2936.853666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.853666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.853666 (E_RNA) where: Base-Base interactions energy: -1958.169 where: short stacking energy: -895.024 Base-Backbone interact. energy: 2.531 local terms energy: -981.216586 where: bonds (distance) C4'-P energy: -183.698 bonds (distance) P-C4' energy: -193.754 flat angles C4'-P-C4' energy: -208.609 flat angles P-C4'-P energy: -136.132 tors. eta vs tors. theta energy: -259.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2794.570465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.570465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.570465 (E_RNA) where: Base-Base interactions energy: -1870.039 where: short stacking energy: -869.888 Base-Backbone interact. energy: -6.119 local terms energy: -918.412129 where: bonds (distance) C4'-P energy: -157.946 bonds (distance) P-C4' energy: -182.024 flat angles C4'-P-C4' energy: -208.324 flat angles P-C4'-P energy: -125.819 tors. eta vs tors. theta energy: -244.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2591.842634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.842634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.842634 (E_RNA) where: Base-Base interactions energy: -1698.923 where: short stacking energy: -787.811 Base-Backbone interact. energy: -2.549 local terms energy: -890.371029 where: bonds (distance) C4'-P energy: -169.664 bonds (distance) P-C4' energy: -176.421 flat angles C4'-P-C4' energy: -191.696 flat angles P-C4'-P energy: -121.760 tors. eta vs tors. theta energy: -230.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2535.280577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.280577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.280577 (E_RNA) where: Base-Base interactions energy: -1676.654 where: short stacking energy: -768.855 Base-Backbone interact. energy: -2.778 local terms energy: -855.848751 where: bonds (distance) C4'-P energy: -154.635 bonds (distance) P-C4' energy: -171.658 flat angles C4'-P-C4' energy: -190.489 flat angles P-C4'-P energy: -125.829 tors. eta vs tors. theta energy: -213.237 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: 126 Temperature: 1.150000 Total energy: -1957.311969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.311969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.311969 (E_RNA) where: Base-Base interactions energy: -1269.293 where: short stacking energy: -557.663 Base-Backbone interact. energy: -2.561 local terms energy: -685.458453 where: bonds (distance) C4'-P energy: -155.436 bonds (distance) P-C4' energy: -163.011 flat angles C4'-P-C4' energy: -162.437 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -114.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1842.831885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.831885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.831885 (E_RNA) where: Base-Base interactions energy: -1147.047 where: short stacking energy: -568.081 Base-Backbone interact. energy: -2.089 local terms energy: -693.696430 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -158.286 flat angles C4'-P-C4' energy: -167.641 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -152.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1579.480993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.480993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.480993 (E_RNA) where: Base-Base interactions energy: -971.313 where: short stacking energy: -476.802 Base-Backbone interact. energy: -3.609 local terms energy: -604.558467 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -153.268 flat angles C4'-P-C4' energy: -138.176 flat angles P-C4'-P energy: -91.451 tors. eta vs tors. theta energy: -84.467 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: 126 Temperature: 1.300000 Total energy: -1217.976865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.976865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.976865 (E_RNA) where: Base-Base interactions energy: -677.437 where: short stacking energy: -352.526 Base-Backbone interact. energy: 6.050 local terms energy: -546.589046 where: bonds (distance) C4'-P energy: -144.230 bonds (distance) P-C4' energy: -143.645 flat angles C4'-P-C4' energy: -160.952 flat angles P-C4'-P energy: -71.124 tors. eta vs tors. theta energy: -26.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -857.968654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.968654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.968654 (E_RNA) where: Base-Base interactions energy: -422.919 where: short stacking energy: -262.252 Base-Backbone interact. energy: -1.661 local terms energy: -433.388790 where: bonds (distance) C4'-P energy: -146.705 bonds (distance) P-C4' energy: -151.272 flat angles C4'-P-C4' energy: -119.890 flat angles P-C4'-P energy: -44.878 tors. eta vs tors. theta energy: 29.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3078.930410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.930410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.930410 (E_RNA) where: Base-Base interactions energy: -2078.478 where: short stacking energy: -954.121 Base-Backbone interact. energy: -0.147 local terms energy: -1000.305040 where: bonds (distance) C4'-P energy: -172.227 bonds (distance) P-C4' energy: -194.623 flat angles C4'-P-C4' energy: -210.843 flat angles P-C4'-P energy: -145.851 tors. eta vs tors. theta energy: -276.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2898.425629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.425629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.425629 (E_RNA) where: Base-Base interactions energy: -1997.136 where: short stacking energy: -893.993 Base-Backbone interact. energy: 6.418 local terms energy: -907.707848 where: bonds (distance) C4'-P energy: -182.685 bonds (distance) P-C4' energy: -157.933 flat angles C4'-P-C4' energy: -189.898 flat angles P-C4'-P energy: -129.772 tors. eta vs tors. theta energy: -247.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2778.585657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.585657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.585657 (E_RNA) where: Base-Base interactions energy: -1860.804 where: short stacking energy: -837.281 Base-Backbone interact. energy: -4.557 local terms energy: -913.224588 where: bonds (distance) C4'-P energy: -172.564 bonds (distance) P-C4' energy: -191.440 flat angles C4'-P-C4' energy: -196.157 flat angles P-C4'-P energy: -123.317 tors. eta vs tors. theta energy: -229.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2585.665180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.665180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.665180 (E_RNA) where: Base-Base interactions energy: -1682.875 where: short stacking energy: -773.784 Base-Backbone interact. energy: 1.334 local terms energy: -904.123971 where: bonds (distance) C4'-P energy: -177.149 bonds (distance) P-C4' energy: -184.636 flat angles C4'-P-C4' energy: -205.389 flat angles P-C4'-P energy: -114.491 tors. eta vs tors. theta energy: -222.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2469.630746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.630746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.630746 (E_RNA) where: Base-Base interactions energy: -1640.257 where: short stacking energy: -770.287 Base-Backbone interact. energy: 0.837 local terms energy: -830.211177 where: bonds (distance) C4'-P energy: -180.639 bonds (distance) P-C4' energy: -160.541 flat angles C4'-P-C4' energy: -183.596 flat angles P-C4'-P energy: -105.588 tors. eta vs tors. theta energy: -199.848 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: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2023.930667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.930667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.930667 (E_RNA) where: Base-Base interactions energy: -1295.751 where: short stacking energy: -593.816 Base-Backbone interact. energy: 0.306 local terms energy: -728.485965 where: bonds (distance) C4'-P energy: -162.071 bonds (distance) P-C4' energy: -177.959 flat angles C4'-P-C4' energy: -150.906 flat angles P-C4'-P energy: -100.436 tors. eta vs tors. theta energy: -137.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1837.997541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.997541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.997541 (E_RNA) where: Base-Base interactions energy: -1158.693 where: short stacking energy: -589.626 Base-Backbone interact. energy: -2.590 local terms energy: -676.714949 where: bonds (distance) C4'-P energy: -160.598 bonds (distance) P-C4' energy: -142.528 flat angles C4'-P-C4' energy: -152.624 flat angles P-C4'-P energy: -86.058 tors. eta vs tors. theta energy: -134.907 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: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1634.722828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.722828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.722828 (E_RNA) where: Base-Base interactions energy: -1018.085 where: short stacking energy: -485.815 Base-Backbone interact. energy: 4.377 local terms energy: -621.014650 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -146.336 flat angles P-C4'-P energy: -90.479 tors. eta vs tors. theta energy: -95.159 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1117.724343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.724343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.724343 (E_RNA) where: Base-Base interactions energy: -614.393 where: short stacking energy: -298.325 Base-Backbone interact. energy: -2.911 local terms energy: -500.420611 where: bonds (distance) C4'-P energy: -151.954 bonds (distance) P-C4' energy: -150.153 flat angles C4'-P-C4' energy: -112.130 flat angles P-C4'-P energy: -78.372 tors. eta vs tors. theta energy: -7.812 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: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -831.907566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.907566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.907566 (E_RNA) where: Base-Base interactions energy: -373.071 where: short stacking energy: -209.565 Base-Backbone interact. energy: -0.710 local terms energy: -458.126038 where: bonds (distance) C4'-P energy: -154.829 bonds (distance) P-C4' energy: -164.777 flat angles C4'-P-C4' energy: -119.007 flat angles P-C4'-P energy: -66.116 tors. eta vs tors. theta energy: 46.602 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: 1, replica: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3109.988830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.988830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.988830 (E_RNA) where: Base-Base interactions energy: -2089.009 where: short stacking energy: -952.678 Base-Backbone interact. energy: -0.499 local terms energy: -1020.480745 where: bonds (distance) C4'-P energy: -195.077 bonds (distance) P-C4' energy: -186.708 flat angles C4'-P-C4' energy: -225.276 flat angles P-C4'-P energy: -134.593 tors. eta vs tors. theta energy: -278.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2917.975835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.975835 (E_RNA) where: Base-Base interactions energy: -1969.333 where: short stacking energy: -889.213 Base-Backbone interact. energy: -1.867 local terms energy: -946.775896 where: bonds (distance) C4'-P energy: -181.482 bonds (distance) P-C4' energy: -189.059 flat angles C4'-P-C4' energy: -203.638 flat angles P-C4'-P energy: -117.013 tors. eta vs tors. theta energy: -255.583 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: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2788.412941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.412941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.412941 (E_RNA) where: Base-Base interactions energy: -1824.441 where: short stacking energy: -809.554 Base-Backbone interact. energy: -2.210 local terms energy: -961.761186 where: bonds (distance) C4'-P energy: -184.485 bonds (distance) P-C4' energy: -185.855 flat angles C4'-P-C4' energy: -197.670 flat angles P-C4'-P energy: -151.638 tors. eta vs tors. theta energy: -242.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2625.572809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.572809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.572809 (E_RNA) where: Base-Base interactions energy: -1704.470 where: short stacking energy: -729.072 Base-Backbone interact. energy: -3.039 local terms energy: -918.063941 where: bonds (distance) C4'-P energy: -179.141 bonds (distance) P-C4' energy: -190.645 flat angles C4'-P-C4' energy: -186.409 flat angles P-C4'-P energy: -137.915 tors. eta vs tors. theta energy: -223.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2503.449152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.449152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.449152 (E_RNA) where: Base-Base interactions energy: -1665.970 where: short stacking energy: -771.835 Base-Backbone interact. energy: -1.078 local terms energy: -836.400783 where: bonds (distance) C4'-P energy: -159.384 bonds (distance) P-C4' energy: -145.931 flat angles C4'-P-C4' energy: -192.022 flat angles P-C4'-P energy: -127.031 tors. eta vs tors. theta energy: -212.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1970.290713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.290713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.290713 (E_RNA) where: Base-Base interactions energy: -1243.983 where: short stacking energy: -582.929 Base-Backbone interact. energy: -1.895 local terms energy: -724.412773 where: bonds (distance) C4'-P energy: -154.630 bonds (distance) P-C4' energy: -155.218 flat angles C4'-P-C4' energy: -160.513 flat angles P-C4'-P energy: -118.664 tors. eta vs tors. theta energy: -135.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1835.621678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.621678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.621678 (E_RNA) where: Base-Base interactions energy: -1162.843 where: short stacking energy: -554.942 Base-Backbone interact. energy: -3.328 local terms energy: -669.450293 where: bonds (distance) C4'-P energy: -128.979 bonds (distance) P-C4' energy: -167.318 flat angles C4'-P-C4' energy: -155.448 flat angles P-C4'-P energy: -97.188 tors. eta vs tors. theta energy: -120.517 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1627.571618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.571618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.571618 (E_RNA) where: Base-Base interactions energy: -979.945 where: short stacking energy: -494.642 Base-Backbone interact. energy: -3.186 local terms energy: -644.440494 where: bonds (distance) C4'-P energy: -152.355 bonds (distance) P-C4' energy: -158.581 flat angles C4'-P-C4' energy: -151.260 flat angles P-C4'-P energy: -100.714 tors. eta vs tors. theta energy: -81.530 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: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1127.047587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.047587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.047587 (E_RNA) where: Base-Base interactions energy: -560.173 where: short stacking energy: -272.684 Base-Backbone interact. energy: 1.921 local terms energy: -568.795342 where: bonds (distance) C4'-P energy: -147.728 bonds (distance) P-C4' energy: -145.607 flat angles C4'-P-C4' energy: -161.464 flat angles P-C4'-P energy: -91.937 tors. eta vs tors. theta energy: -22.059 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: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -870.916171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.916171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.916171 (E_RNA) where: Base-Base interactions energy: -394.312 where: short stacking energy: -278.167 Base-Backbone interact. energy: 3.727 local terms energy: -480.331359 where: bonds (distance) C4'-P energy: -121.809 bonds (distance) P-C4' energy: -167.923 flat angles C4'-P-C4' energy: -126.267 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: 13.858 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: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3116.499005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.499005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.499005 (E_RNA) where: Base-Base interactions energy: -2073.323 where: short stacking energy: -957.619 Base-Backbone interact. energy: -3.500 local terms energy: -1039.676720 where: bonds (distance) C4'-P energy: -177.656 bonds (distance) P-C4' energy: -192.717 flat angles C4'-P-C4' energy: -221.681 flat angles P-C4'-P energy: -164.468 tors. eta vs tors. theta energy: -283.155 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: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2893.569380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.569380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.569380 (E_RNA) where: Base-Base interactions energy: -1937.455 where: short stacking energy: -882.359 Base-Backbone interact. energy: -9.036 local terms energy: -947.078724 where: bonds (distance) C4'-P energy: -178.937 bonds (distance) P-C4' energy: -165.807 flat angles C4'-P-C4' energy: -214.022 flat angles P-C4'-P energy: -138.895 tors. eta vs tors. theta energy: -249.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2766.911720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.911720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.911720 (E_RNA) where: Base-Base interactions energy: -1852.275 where: short stacking energy: -842.443 Base-Backbone interact. energy: -1.999 local terms energy: -912.636901 where: bonds (distance) C4'-P energy: -150.147 bonds (distance) P-C4' energy: -176.173 flat angles C4'-P-C4' energy: -205.852 flat angles P-C4'-P energy: -134.400 tors. eta vs tors. theta energy: -246.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2608.324202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.324202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.324202 (E_RNA) where: Base-Base interactions energy: -1728.008 where: short stacking energy: -782.509 Base-Backbone interact. energy: -5.209 local terms energy: -875.107088 where: bonds (distance) C4'-P energy: -162.074 bonds (distance) P-C4' energy: -163.238 flat angles C4'-P-C4' energy: -197.387 flat angles P-C4'-P energy: -130.927 tors. eta vs tors. theta energy: -221.482 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: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2497.671459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.671459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.671459 (E_RNA) where: Base-Base interactions energy: -1685.077 where: short stacking energy: -768.490 Base-Backbone interact. energy: -3.966 local terms energy: -808.628199 where: bonds (distance) C4'-P energy: -154.102 bonds (distance) P-C4' energy: -173.746 flat angles C4'-P-C4' energy: -179.737 flat angles P-C4'-P energy: -100.443 tors. eta vs tors. theta energy: -200.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2028.842198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.842198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.842198 (E_RNA) where: Base-Base interactions energy: -1245.046 where: short stacking energy: -614.018 Base-Backbone interact. energy: -2.883 local terms energy: -780.912627 where: bonds (distance) C4'-P energy: -168.172 bonds (distance) P-C4' energy: -186.611 flat angles C4'-P-C4' energy: -174.275 flat angles P-C4'-P energy: -99.412 tors. eta vs tors. theta energy: -152.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1879.532292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.532292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.532292 (E_RNA) where: Base-Base interactions energy: -1161.673 where: short stacking energy: -580.179 Base-Backbone interact. energy: -0.642 local terms energy: -717.217000 where: bonds (distance) C4'-P energy: -164.992 bonds (distance) P-C4' energy: -164.140 flat angles C4'-P-C4' energy: -156.304 flat angles P-C4'-P energy: -99.494 tors. eta vs tors. theta energy: -132.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1632.814362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.814362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.814362 (E_RNA) where: Base-Base interactions energy: -968.764 where: short stacking energy: -461.122 Base-Backbone interact. energy: 0.929 local terms energy: -664.979400 where: bonds (distance) C4'-P energy: -153.276 bonds (distance) P-C4' energy: -177.272 flat angles C4'-P-C4' energy: -130.615 flat angles P-C4'-P energy: -97.059 tors. eta vs tors. theta energy: -106.758 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: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1164.535090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.535090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.535090 (E_RNA) where: Base-Base interactions energy: -610.886 where: short stacking energy: -326.789 Base-Backbone interact. energy: 3.177 local terms energy: -556.825872 where: bonds (distance) C4'-P energy: -164.199 bonds (distance) P-C4' energy: -155.455 flat angles C4'-P-C4' energy: -129.854 flat angles P-C4'-P energy: -69.653 tors. eta vs tors. theta energy: -37.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -777.863117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.863117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.863117 (E_RNA) where: Base-Base interactions energy: -357.491 where: short stacking energy: -236.005 Base-Backbone interact. energy: 4.002 local terms energy: -424.373936 where: bonds (distance) C4'-P energy: -122.466 bonds (distance) P-C4' energy: -156.802 flat angles C4'-P-C4' energy: -130.808 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: 26.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3124.202370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.202370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.202370 (E_RNA) where: Base-Base interactions energy: -2101.647 where: short stacking energy: -941.604 Base-Backbone interact. energy: 2.263 local terms energy: -1024.819244 where: bonds (distance) C4'-P energy: -177.973 bonds (distance) P-C4' energy: -189.414 flat angles C4'-P-C4' energy: -218.211 flat angles P-C4'-P energy: -155.720 tors. eta vs tors. theta energy: -283.500 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: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2846.544650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.544650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.544650 (E_RNA) where: Base-Base interactions energy: -1941.271 where: short stacking energy: -875.080 Base-Backbone interact. energy: 6.820 local terms energy: -912.093941 where: bonds (distance) C4'-P energy: -171.396 bonds (distance) P-C4' energy: -168.531 flat angles C4'-P-C4' energy: -203.920 flat angles P-C4'-P energy: -123.690 tors. eta vs tors. theta energy: -244.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2818.909171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.909171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.909171 (E_RNA) where: Base-Base interactions energy: -1854.893 where: short stacking energy: -847.664 Base-Backbone interact. energy: -3.925 local terms energy: -960.091575 where: bonds (distance) C4'-P energy: -184.867 bonds (distance) P-C4' energy: -196.812 flat angles C4'-P-C4' energy: -196.639 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -261.476 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: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2602.830933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.830933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.830933 (E_RNA) where: Base-Base interactions energy: -1722.336 where: short stacking energy: -777.647 Base-Backbone interact. energy: -1.369 local terms energy: -879.126227 where: bonds (distance) C4'-P energy: -152.583 bonds (distance) P-C4' energy: -182.668 flat angles C4'-P-C4' energy: -202.046 flat angles P-C4'-P energy: -122.440 tors. eta vs tors. theta energy: -219.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2454.512258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.512258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.512258 (E_RNA) where: Base-Base interactions energy: -1628.502 where: short stacking energy: -739.365 Base-Backbone interact. energy: -2.314 local terms energy: -823.696220 where: bonds (distance) C4'-P energy: -150.579 bonds (distance) P-C4' energy: -159.021 flat angles C4'-P-C4' energy: -188.284 flat angles P-C4'-P energy: -129.463 tors. eta vs tors. theta energy: -196.349 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1982.242090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.242090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.242090 (E_RNA) where: Base-Base interactions energy: -1248.308 where: short stacking energy: -606.079 Base-Backbone interact. energy: 1.528 local terms energy: -735.462247 where: bonds (distance) C4'-P energy: -156.339 bonds (distance) P-C4' energy: -154.531 flat angles C4'-P-C4' energy: -183.039 flat angles P-C4'-P energy: -105.299 tors. eta vs tors. theta energy: -136.254 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: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1806.157296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.157296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.157296 (E_RNA) where: Base-Base interactions energy: -1086.086 where: short stacking energy: -513.029 Base-Backbone interact. energy: -2.033 local terms energy: -718.038096 where: bonds (distance) C4'-P energy: -156.450 bonds (distance) P-C4' energy: -165.407 flat angles C4'-P-C4' energy: -172.010 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -122.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1638.047733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.047733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.047733 (E_RNA) where: Base-Base interactions energy: -992.868 where: short stacking energy: -496.040 Base-Backbone interact. energy: 2.658 local terms energy: -647.838392 where: bonds (distance) C4'-P energy: -123.752 bonds (distance) P-C4' energy: -172.737 flat angles C4'-P-C4' energy: -140.607 flat angles P-C4'-P energy: -108.306 tors. eta vs tors. theta energy: -102.437 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: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1191.552769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.552769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.552769 (E_RNA) where: Base-Base interactions energy: -658.871 where: short stacking energy: -336.055 Base-Backbone interact. energy: 1.070 local terms energy: -533.751793 where: bonds (distance) C4'-P energy: -138.216 bonds (distance) P-C4' energy: -151.586 flat angles C4'-P-C4' energy: -137.683 flat angles P-C4'-P energy: -85.375 tors. eta vs tors. theta energy: -20.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -742.993906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.993906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.993906 (E_RNA) where: Base-Base interactions energy: -293.361 where: short stacking energy: -195.493 Base-Backbone interact. energy: 3.521 local terms energy: -453.153900 where: bonds (distance) C4'-P energy: -137.847 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -132.271 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: 51.346 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: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3090.746027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.746027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.746027 (E_RNA) where: Base-Base interactions energy: -2096.733 where: short stacking energy: -942.124 Base-Backbone interact. energy: 0.718 local terms energy: -994.730338 where: bonds (distance) C4'-P energy: -186.857 bonds (distance) P-C4' energy: -180.785 flat angles C4'-P-C4' energy: -209.131 flat angles P-C4'-P energy: -148.749 tors. eta vs tors. theta energy: -269.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2860.808436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.808436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.808436 (E_RNA) where: Base-Base interactions energy: -1951.041 where: short stacking energy: -839.907 Base-Backbone interact. energy: -0.963 local terms energy: -908.803868 where: bonds (distance) C4'-P energy: -150.309 bonds (distance) P-C4' energy: -209.383 flat angles C4'-P-C4' energy: -184.103 flat angles P-C4'-P energy: -125.106 tors. eta vs tors. theta energy: -239.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2864.802802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.802802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.802802 (E_RNA) where: Base-Base interactions energy: -1926.018 where: short stacking energy: -841.344 Base-Backbone interact. energy: -2.941 local terms energy: -935.844301 where: bonds (distance) C4'-P energy: -171.610 bonds (distance) P-C4' energy: -172.417 flat angles C4'-P-C4' energy: -199.686 flat angles P-C4'-P energy: -133.650 tors. eta vs tors. theta energy: -258.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2631.952551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.952551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.952551 (E_RNA) where: Base-Base interactions energy: -1766.301 where: short stacking energy: -785.451 Base-Backbone interact. energy: -2.871 local terms energy: -862.780831 where: bonds (distance) C4'-P energy: -160.749 bonds (distance) P-C4' energy: -175.228 flat angles C4'-P-C4' energy: -181.276 flat angles P-C4'-P energy: -126.797 tors. eta vs tors. theta energy: -218.731 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: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2448.151509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.151509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.151509 (E_RNA) where: Base-Base interactions energy: -1654.494 where: short stacking energy: -746.806 Base-Backbone interact. energy: 6.797 local terms energy: -800.454964 where: bonds (distance) C4'-P energy: -140.919 bonds (distance) P-C4' energy: -154.976 flat angles C4'-P-C4' energy: -184.415 flat angles P-C4'-P energy: -120.085 tors. eta vs tors. theta energy: -200.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2006.306907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.306907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.306907 (E_RNA) where: Base-Base interactions energy: -1278.708 where: short stacking energy: -613.157 Base-Backbone interact. energy: 0.276 local terms energy: -727.874428 where: bonds (distance) C4'-P energy: -142.769 bonds (distance) P-C4' energy: -163.452 flat angles C4'-P-C4' energy: -170.835 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -146.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1857.069676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.069676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.069676 (E_RNA) where: Base-Base interactions energy: -1159.024 where: short stacking energy: -572.013 Base-Backbone interact. energy: 7.910 local terms energy: -705.955465 where: bonds (distance) C4'-P energy: -128.351 bonds (distance) P-C4' energy: -172.698 flat angles C4'-P-C4' energy: -151.282 flat angles P-C4'-P energy: -113.948 tors. eta vs tors. theta energy: -139.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1645.992419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.992419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.992419 (E_RNA) where: Base-Base interactions energy: -1002.407 where: short stacking energy: -517.414 Base-Backbone interact. energy: -1.164 local terms energy: -642.421197 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -177.025 flat angles C4'-P-C4' energy: -134.486 flat angles P-C4'-P energy: -100.495 tors. eta vs tors. theta energy: -97.362 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: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1213.887576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.887576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.887576 (E_RNA) where: Base-Base interactions energy: -619.418 where: short stacking energy: -302.916 Base-Backbone interact. energy: 9.160 local terms energy: -603.629665 where: bonds (distance) C4'-P energy: -157.864 bonds (distance) P-C4' energy: -174.325 flat angles C4'-P-C4' energy: -148.788 flat angles P-C4'-P energy: -94.153 tors. eta vs tors. theta energy: -28.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -776.384906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.384906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.384906 (E_RNA) where: Base-Base interactions energy: -336.735 where: short stacking energy: -216.796 Base-Backbone interact. energy: 8.472 local terms energy: -448.121668 where: bonds (distance) C4'-P energy: -123.302 bonds (distance) P-C4' energy: -162.838 flat angles C4'-P-C4' energy: -131.988 flat angles P-C4'-P energy: -72.656 tors. eta vs tors. theta energy: 42.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3075.093887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.093887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.093887 (E_RNA) where: Base-Base interactions energy: -2080.361 where: short stacking energy: -956.146 Base-Backbone interact. energy: -2.260 local terms energy: -992.473018 where: bonds (distance) C4'-P energy: -182.986 bonds (distance) P-C4' energy: -174.545 flat angles C4'-P-C4' energy: -224.827 flat angles P-C4'-P energy: -133.837 tors. eta vs tors. theta energy: -276.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2906.373513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.373513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.373513 (E_RNA) where: Base-Base interactions energy: -1985.724 where: short stacking energy: -875.817 Base-Backbone interact. energy: -2.626 local terms energy: -918.023501 where: bonds (distance) C4'-P energy: -163.373 bonds (distance) P-C4' energy: -192.627 flat angles C4'-P-C4' energy: -192.313 flat angles P-C4'-P energy: -127.294 tors. eta vs tors. theta energy: -242.417 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: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2833.819079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.819079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.819079 (E_RNA) where: Base-Base interactions energy: -1928.988 where: short stacking energy: -863.928 Base-Backbone interact. energy: -0.891 local terms energy: -903.940535 where: bonds (distance) C4'-P energy: -167.545 bonds (distance) P-C4' energy: -171.142 flat angles C4'-P-C4' energy: -189.577 flat angles P-C4'-P energy: -129.602 tors. eta vs tors. theta energy: -246.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2569.243143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.243143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.243143 (E_RNA) where: Base-Base interactions energy: -1695.389 where: short stacking energy: -758.594 Base-Backbone interact. energy: -2.178 local terms energy: -871.676074 where: bonds (distance) C4'-P energy: -178.777 bonds (distance) P-C4' energy: -182.720 flat angles C4'-P-C4' energy: -193.069 flat angles P-C4'-P energy: -121.078 tors. eta vs tors. theta energy: -196.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2494.487820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.487820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.487820 (E_RNA) where: Base-Base interactions energy: -1628.203 where: short stacking energy: -752.099 Base-Backbone interact. energy: -0.229 local terms energy: -866.055955 where: bonds (distance) C4'-P energy: -161.432 bonds (distance) P-C4' energy: -170.275 flat angles C4'-P-C4' energy: -183.300 flat angles P-C4'-P energy: -127.277 tors. eta vs tors. theta energy: -223.772 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: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1986.362920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.362920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.362920 (E_RNA) where: Base-Base interactions energy: -1297.313 where: short stacking energy: -559.776 Base-Backbone interact. energy: -3.052 local terms energy: -685.997689 where: bonds (distance) C4'-P energy: -157.334 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -171.355 flat angles P-C4'-P energy: -91.422 tors. eta vs tors. theta energy: -113.431 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: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1823.303539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.303539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.303539 (E_RNA) where: Base-Base interactions energy: -1106.320 where: short stacking energy: -548.250 Base-Backbone interact. energy: 6.169 local terms energy: -723.152833 where: bonds (distance) C4'-P energy: -157.285 bonds (distance) P-C4' energy: -163.128 flat angles C4'-P-C4' energy: -167.012 flat angles P-C4'-P energy: -108.496 tors. eta vs tors. theta energy: -127.232 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1597.032607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.032607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.032607 (E_RNA) where: Base-Base interactions energy: -971.434 where: short stacking energy: -464.756 Base-Backbone interact. energy: -3.472 local terms energy: -622.126755 where: bonds (distance) C4'-P energy: -159.492 bonds (distance) P-C4' energy: -151.708 flat angles C4'-P-C4' energy: -130.090 flat angles P-C4'-P energy: -86.044 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: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1144.218588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.218588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.218588 (E_RNA) where: Base-Base interactions energy: -584.836 where: short stacking energy: -301.229 Base-Backbone interact. energy: 1.421 local terms energy: -560.802795 where: bonds (distance) C4'-P energy: -161.829 bonds (distance) P-C4' energy: -163.227 flat angles C4'-P-C4' energy: -152.294 flat angles P-C4'-P energy: -63.508 tors. eta vs tors. theta energy: -19.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -768.346525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.346525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.346525 (E_RNA) where: Base-Base interactions energy: -353.692 where: short stacking energy: -215.786 Base-Backbone interact. energy: 3.229 local terms energy: -417.883725 where: bonds (distance) C4'-P energy: -116.517 bonds (distance) P-C4' energy: -123.876 flat angles C4'-P-C4' energy: -118.305 flat angles P-C4'-P energy: -75.658 tors. eta vs tors. theta energy: 16.473 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: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3080.541148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.541148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.541148 (E_RNA) where: Base-Base interactions energy: -2091.995 where: short stacking energy: -928.459 Base-Backbone interact. energy: -4.179 local terms energy: -984.366939 where: bonds (distance) C4'-P energy: -190.782 bonds (distance) P-C4' energy: -185.655 flat angles C4'-P-C4' energy: -220.492 flat angles P-C4'-P energy: -123.130 tors. eta vs tors. theta energy: -264.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2936.631375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.631375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.631375 (E_RNA) where: Base-Base interactions energy: -1995.832 where: short stacking energy: -914.769 Base-Backbone interact. energy: -3.532 local terms energy: -937.266878 where: bonds (distance) C4'-P energy: -171.454 bonds (distance) P-C4' energy: -171.721 flat angles C4'-P-C4' energy: -206.272 flat angles P-C4'-P energy: -122.857 tors. eta vs tors. theta energy: -264.963 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: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2762.683438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.683438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.683438 (E_RNA) where: Base-Base interactions energy: -1868.357 where: short stacking energy: -816.401 Base-Backbone interact. energy: -4.222 local terms energy: -890.104554 where: bonds (distance) C4'-P energy: -175.834 bonds (distance) P-C4' energy: -173.926 flat angles C4'-P-C4' energy: -184.890 flat angles P-C4'-P energy: -128.537 tors. eta vs tors. theta energy: -226.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2563.550930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.550930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.550930 (E_RNA) where: Base-Base interactions energy: -1709.384 where: short stacking energy: -760.721 Base-Backbone interact. energy: -4.826 local terms energy: -849.340704 where: bonds (distance) C4'-P energy: -179.569 bonds (distance) P-C4' energy: -163.882 flat angles C4'-P-C4' energy: -177.746 flat angles P-C4'-P energy: -128.474 tors. eta vs tors. theta energy: -199.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2492.525814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.525814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.525814 (E_RNA) where: Base-Base interactions energy: -1646.128 where: short stacking energy: -732.726 Base-Backbone interact. energy: -2.252 local terms energy: -844.146289 where: bonds (distance) C4'-P energy: -166.394 bonds (distance) P-C4' energy: -172.929 flat angles C4'-P-C4' energy: -186.296 flat angles P-C4'-P energy: -127.305 tors. eta vs tors. theta energy: -191.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1981.000492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.000492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.000492 (E_RNA) where: Base-Base interactions energy: -1259.815 where: short stacking energy: -595.365 Base-Backbone interact. energy: 3.433 local terms energy: -724.618027 where: bonds (distance) C4'-P energy: -175.106 bonds (distance) P-C4' energy: -152.063 flat angles C4'-P-C4' energy: -164.081 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -136.127 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: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1780.551024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.551024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.551024 (E_RNA) where: Base-Base interactions energy: -1101.456 where: short stacking energy: -529.947 Base-Backbone interact. energy: -2.900 local terms energy: -676.195084 where: bonds (distance) C4'-P energy: -145.394 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -162.616 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -107.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1552.619361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.619361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.619361 (E_RNA) where: Base-Base interactions energy: -897.205 where: short stacking energy: -446.843 Base-Backbone interact. energy: -1.247 local terms energy: -654.167961 where: bonds (distance) C4'-P energy: -171.824 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -180.546 flat angles P-C4'-P energy: -85.149 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: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1229.323435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.323435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.323435 (E_RNA) where: Base-Base interactions energy: -679.188 where: short stacking energy: -360.314 Base-Backbone interact. energy: -3.242 local terms energy: -546.893533 where: bonds (distance) C4'-P energy: -147.122 bonds (distance) P-C4' energy: -160.518 flat angles C4'-P-C4' energy: -119.323 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -25.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -725.093530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.093530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.093530 (E_RNA) where: Base-Base interactions energy: -294.760 where: short stacking energy: -194.838 Base-Backbone interact. energy: 2.988 local terms energy: -433.321567 where: bonds (distance) C4'-P energy: -140.382 bonds (distance) P-C4' energy: -137.588 flat angles C4'-P-C4' energy: -125.255 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: 44.935 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: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3089.415042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.415042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.415042 (E_RNA) where: Base-Base interactions energy: -2103.705 where: short stacking energy: -966.070 Base-Backbone interact. energy: -4.784 local terms energy: -980.925828 where: bonds (distance) C4'-P energy: -180.869 bonds (distance) P-C4' energy: -183.180 flat angles C4'-P-C4' energy: -213.740 flat angles P-C4'-P energy: -131.268 tors. eta vs tors. theta energy: -271.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2929.862579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.862579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.862579 (E_RNA) where: Base-Base interactions energy: -1979.187 where: short stacking energy: -912.417 Base-Backbone interact. energy: -1.992 local terms energy: -948.684267 where: bonds (distance) C4'-P energy: -170.870 bonds (distance) P-C4' energy: -189.845 flat angles C4'-P-C4' energy: -195.402 flat angles P-C4'-P energy: -127.862 tors. eta vs tors. theta energy: -264.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2819.259440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.259440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.259440 (E_RNA) where: Base-Base interactions energy: -1938.568 where: short stacking energy: -854.997 Base-Backbone interact. energy: -4.462 local terms energy: -876.229558 where: bonds (distance) C4'-P energy: -157.497 bonds (distance) P-C4' energy: -179.042 flat angles C4'-P-C4' energy: -191.249 flat angles P-C4'-P energy: -122.813 tors. eta vs tors. theta energy: -225.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2524.885539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.885539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.885539 (E_RNA) where: Base-Base interactions energy: -1694.922 where: short stacking energy: -767.640 Base-Backbone interact. energy: -3.039 local terms energy: -826.924130 where: bonds (distance) C4'-P energy: -140.441 bonds (distance) P-C4' energy: -173.485 flat angles C4'-P-C4' energy: -179.698 flat angles P-C4'-P energy: -120.368 tors. eta vs tors. theta energy: -212.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2519.451433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.451433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.451433 (E_RNA) where: Base-Base interactions energy: -1661.034 where: short stacking energy: -770.112 Base-Backbone interact. energy: 2.664 local terms energy: -861.082381 where: bonds (distance) C4'-P energy: -163.356 bonds (distance) P-C4' energy: -175.697 flat angles C4'-P-C4' energy: -187.371 flat angles P-C4'-P energy: -124.775 tors. eta vs tors. theta energy: -209.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1945.952645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.952645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.952645 (E_RNA) where: Base-Base interactions energy: -1241.093 where: short stacking energy: -603.765 Base-Backbone interact. energy: -0.832 local terms energy: -704.027698 where: bonds (distance) C4'-P energy: -161.671 bonds (distance) P-C4' energy: -152.199 flat angles C4'-P-C4' energy: -176.934 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -121.894 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: 134 Temperature: 1.200000 Total energy: -1788.853640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.853640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.853640 (E_RNA) where: Base-Base interactions energy: -1096.093 where: short stacking energy: -530.193 Base-Backbone interact. energy: 0.011 local terms energy: -692.770956 where: bonds (distance) C4'-P energy: -150.049 bonds (distance) P-C4' energy: -172.083 flat angles C4'-P-C4' energy: -170.879 flat angles P-C4'-P energy: -95.900 tors. eta vs tors. theta energy: -103.858 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: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1564.459785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.459785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.459785 (E_RNA) where: Base-Base interactions energy: -969.347 where: short stacking energy: -483.536 Base-Backbone interact. energy: -1.847 local terms energy: -593.265015 where: bonds (distance) C4'-P energy: -114.889 bonds (distance) P-C4' energy: -157.982 flat angles C4'-P-C4' energy: -144.306 flat angles P-C4'-P energy: -85.112 tors. eta vs tors. theta energy: -90.975 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: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1203.064779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.064779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.064779 (E_RNA) where: Base-Base interactions energy: -691.517 where: short stacking energy: -315.007 Base-Backbone interact. energy: -1.942 local terms energy: -509.605427 where: bonds (distance) C4'-P energy: -139.444 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -146.386 flat angles P-C4'-P energy: -62.103 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: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -724.952144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.952144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.952144 (E_RNA) where: Base-Base interactions energy: -293.310 where: short stacking energy: -236.175 Base-Backbone interact. energy: 1.971 local terms energy: -433.613933 where: bonds (distance) C4'-P energy: -116.056 bonds (distance) P-C4' energy: -141.042 flat angles C4'-P-C4' energy: -136.677 flat angles P-C4'-P energy: -77.544 tors. eta vs tors. theta energy: 37.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3077.269445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.269445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.269445 (E_RNA) where: Base-Base interactions energy: -2096.622 where: short stacking energy: -946.256 Base-Backbone interact. energy: -5.197 local terms energy: -975.450515 where: bonds (distance) C4'-P energy: -181.259 bonds (distance) P-C4' energy: -183.551 flat angles C4'-P-C4' energy: -213.524 flat angles P-C4'-P energy: -131.106 tors. eta vs tors. theta energy: -266.010 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: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2906.713772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.713772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.713772 (E_RNA) where: Base-Base interactions energy: -1973.177 where: short stacking energy: -882.932 Base-Backbone interact. energy: -4.339 local terms energy: -929.197667 where: bonds (distance) C4'-P energy: -173.776 bonds (distance) P-C4' energy: -177.349 flat angles C4'-P-C4' energy: -203.683 flat angles P-C4'-P energy: -122.366 tors. eta vs tors. theta energy: -252.024 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: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2763.254747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.254747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.254747 (E_RNA) where: Base-Base interactions energy: -1913.910 where: short stacking energy: -836.987 Base-Backbone interact. energy: -1.962 local terms energy: -847.383330 where: bonds (distance) C4'-P energy: -161.266 bonds (distance) P-C4' energy: -166.678 flat angles C4'-P-C4' energy: -179.036 flat angles P-C4'-P energy: -113.568 tors. eta vs tors. theta energy: -226.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2590.370856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.370856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.370856 (E_RNA) where: Base-Base interactions energy: -1723.693 where: short stacking energy: -814.792 Base-Backbone interact. energy: -0.893 local terms energy: -865.783990 where: bonds (distance) C4'-P energy: -165.127 bonds (distance) P-C4' energy: -172.377 flat angles C4'-P-C4' energy: -175.823 flat angles P-C4'-P energy: -122.640 tors. eta vs tors. theta energy: -229.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2468.532556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.532556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.532556 (E_RNA) where: Base-Base interactions energy: -1649.768 where: short stacking energy: -756.494 Base-Backbone interact. energy: 3.475 local terms energy: -822.239644 where: bonds (distance) C4'-P energy: -158.311 bonds (distance) P-C4' energy: -175.675 flat angles C4'-P-C4' energy: -187.226 flat angles P-C4'-P energy: -112.276 tors. eta vs tors. theta energy: -188.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1923.482623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.482623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.482623 (E_RNA) where: Base-Base interactions energy: -1210.062 where: short stacking energy: -565.989 Base-Backbone interact. energy: -5.165 local terms energy: -708.255368 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -164.860 flat angles C4'-P-C4' energy: -163.320 flat angles P-C4'-P energy: -97.777 tors. eta vs tors. theta energy: -128.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1823.665995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.665995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.665995 (E_RNA) where: Base-Base interactions energy: -1124.613 where: short stacking energy: -535.194 Base-Backbone interact. energy: 1.550 local terms energy: -700.602100 where: bonds (distance) C4'-P energy: -131.278 bonds (distance) P-C4' energy: -165.113 flat angles C4'-P-C4' energy: -161.128 flat angles P-C4'-P energy: -115.139 tors. eta vs tors. theta energy: -127.944 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: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1554.277488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.277488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.277488 (E_RNA) where: Base-Base interactions energy: -907.379 where: short stacking energy: -450.445 Base-Backbone interact. energy: 3.790 local terms energy: -650.688537 where: bonds (distance) C4'-P energy: -171.364 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -160.087 flat angles P-C4'-P energy: -92.095 tors. eta vs tors. theta energy: -77.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1160.848638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.848638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.848638 (E_RNA) where: Base-Base interactions energy: -597.957 where: short stacking energy: -319.616 Base-Backbone interact. energy: -3.145 local terms energy: -559.747159 where: bonds (distance) C4'-P energy: -152.084 bonds (distance) P-C4' energy: -159.792 flat angles C4'-P-C4' energy: -148.590 flat angles P-C4'-P energy: -68.689 tors. eta vs tors. theta energy: -30.591 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: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -748.251363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.251363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.251363 (E_RNA) where: Base-Base interactions energy: -273.798 where: short stacking energy: -178.288 Base-Backbone interact. energy: 3.043 local terms energy: -477.496059 where: bonds (distance) C4'-P energy: -132.942 bonds (distance) P-C4' energy: -179.676 flat angles C4'-P-C4' energy: -133.429 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: 44.478 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: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3071.437751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.437751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.437751 (E_RNA) where: Base-Base interactions energy: -2091.470 where: short stacking energy: -949.837 Base-Backbone interact. energy: -0.344 local terms energy: -979.623978 where: bonds (distance) C4'-P energy: -177.977 bonds (distance) P-C4' energy: -180.124 flat angles C4'-P-C4' energy: -207.511 flat angles P-C4'-P energy: -144.758 tors. eta vs tors. theta energy: -269.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2896.660458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.660458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.660458 (E_RNA) where: Base-Base interactions energy: -1945.861 where: short stacking energy: -873.915 Base-Backbone interact. energy: 1.216 local terms energy: -952.015574 where: bonds (distance) C4'-P energy: -174.838 bonds (distance) P-C4' energy: -176.533 flat angles C4'-P-C4' energy: -209.748 flat angles P-C4'-P energy: -131.863 tors. eta vs tors. theta energy: -259.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2804.201455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.201455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.201455 (E_RNA) where: Base-Base interactions energy: -1897.249 where: short stacking energy: -841.456 Base-Backbone interact. energy: -4.322 local terms energy: -902.631115 where: bonds (distance) C4'-P energy: -178.163 bonds (distance) P-C4' energy: -160.148 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -126.430 tors. eta vs tors. theta energy: -240.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2526.431360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.431360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.431360 (E_RNA) where: Base-Base interactions energy: -1685.447 where: short stacking energy: -765.288 Base-Backbone interact. energy: -0.755 local terms energy: -840.229467 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -188.554 flat angles C4'-P-C4' energy: -180.291 flat angles P-C4'-P energy: -106.084 tors. eta vs tors. theta energy: -211.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2548.607944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.607944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.607944 (E_RNA) where: Base-Base interactions energy: -1668.406 where: short stacking energy: -773.787 Base-Backbone interact. energy: -3.179 local terms energy: -877.022805 where: bonds (distance) C4'-P energy: -163.586 bonds (distance) P-C4' energy: -179.225 flat angles C4'-P-C4' energy: -192.922 flat angles P-C4'-P energy: -124.019 tors. eta vs tors. theta energy: -217.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1929.828091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.828091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.828091 (E_RNA) where: Base-Base interactions energy: -1217.353 where: short stacking energy: -594.705 Base-Backbone interact. energy: -0.827 local terms energy: -711.648011 where: bonds (distance) C4'-P energy: -151.900 bonds (distance) P-C4' energy: -178.364 flat angles C4'-P-C4' energy: -181.921 flat angles P-C4'-P energy: -85.553 tors. eta vs tors. theta energy: -113.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1751.047019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.047019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.047019 (E_RNA) where: Base-Base interactions energy: -1052.627 where: short stacking energy: -534.315 Base-Backbone interact. energy: -3.460 local terms energy: -694.959941 where: bonds (distance) C4'-P energy: -153.636 bonds (distance) P-C4' energy: -161.243 flat angles C4'-P-C4' energy: -155.872 flat angles P-C4'-P energy: -108.030 tors. eta vs tors. theta energy: -116.179 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: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1442.308230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.308230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.308230 (E_RNA) where: Base-Base interactions energy: -863.333 where: short stacking energy: -388.285 Base-Backbone interact. energy: -4.976 local terms energy: -573.999431 where: bonds (distance) C4'-P energy: -145.827 bonds (distance) P-C4' energy: -141.507 flat angles C4'-P-C4' energy: -147.480 flat angles P-C4'-P energy: -100.554 tors. eta vs tors. theta energy: -38.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1135.118969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.118969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.118969 (E_RNA) where: Base-Base interactions energy: -616.580 where: short stacking energy: -328.801 Base-Backbone interact. energy: -2.781 local terms energy: -515.758048 where: bonds (distance) C4'-P energy: -132.976 bonds (distance) P-C4' energy: -164.070 flat angles C4'-P-C4' energy: -139.284 flat angles P-C4'-P energy: -68.392 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -724.554699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.554699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.554699 (E_RNA) where: Base-Base interactions energy: -308.019 where: short stacking energy: -201.767 Base-Backbone interact. energy: 9.403 local terms energy: -425.938550 where: bonds (distance) C4'-P energy: -152.210 bonds (distance) P-C4' energy: -139.497 flat angles C4'-P-C4' energy: -92.740 flat angles P-C4'-P energy: -69.083 tors. eta vs tors. theta energy: 27.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3092.812413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.812413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.812413 (E_RNA) where: Base-Base interactions energy: -2092.731 where: short stacking energy: -940.712 Base-Backbone interact. energy: -3.663 local terms energy: -996.418022 where: bonds (distance) C4'-P energy: -198.789 bonds (distance) P-C4' energy: -173.517 flat angles C4'-P-C4' energy: -220.847 flat angles P-C4'-P energy: -130.571 tors. eta vs tors. theta energy: -272.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2876.181210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.181210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.181210 (E_RNA) where: Base-Base interactions energy: -1939.490 where: short stacking energy: -931.281 Base-Backbone interact. energy: -2.727 local terms energy: -933.963788 where: bonds (distance) C4'-P energy: -153.966 bonds (distance) P-C4' energy: -181.567 flat angles C4'-P-C4' energy: -201.414 flat angles P-C4'-P energy: -123.261 tors. eta vs tors. theta energy: -273.756 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: 3, replica: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2768.930756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.930756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.930756 (E_RNA) where: Base-Base interactions energy: -1884.312 where: short stacking energy: -847.499 Base-Backbone interact. energy: -4.683 local terms energy: -879.935570 where: bonds (distance) C4'-P energy: -156.378 bonds (distance) P-C4' energy: -153.010 flat angles C4'-P-C4' energy: -203.213 flat angles P-C4'-P energy: -120.087 tors. eta vs tors. theta energy: -247.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2554.450591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.450591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.450591 (E_RNA) where: Base-Base interactions energy: -1675.773 where: short stacking energy: -759.147 Base-Backbone interact. energy: -3.498 local terms energy: -875.179296 where: bonds (distance) C4'-P energy: -165.868 bonds (distance) P-C4' energy: -177.810 flat angles C4'-P-C4' energy: -175.926 flat angles P-C4'-P energy: -134.610 tors. eta vs tors. theta energy: -220.965 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: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2535.893685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.893685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.893685 (E_RNA) where: Base-Base interactions energy: -1694.939 where: short stacking energy: -753.745 Base-Backbone interact. energy: -2.695 local terms energy: -838.259943 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -169.520 flat angles C4'-P-C4' energy: -180.158 flat angles P-C4'-P energy: -132.394 tors. eta vs tors. theta energy: -208.983 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: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1884.713301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.713301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.713301 (E_RNA) where: Base-Base interactions energy: -1220.278 where: short stacking energy: -557.524 Base-Backbone interact. energy: 3.209 local terms energy: -667.644278 where: bonds (distance) C4'-P energy: -143.260 bonds (distance) P-C4' energy: -158.953 flat angles C4'-P-C4' energy: -154.206 flat angles P-C4'-P energy: -101.057 tors. eta vs tors. theta energy: -110.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1839.833372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.833372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.833372 (E_RNA) where: Base-Base interactions energy: -1124.097 where: short stacking energy: -543.268 Base-Backbone interact. energy: -2.363 local terms energy: -713.373706 where: bonds (distance) C4'-P energy: -163.100 bonds (distance) P-C4' energy: -165.871 flat angles C4'-P-C4' energy: -157.904 flat angles P-C4'-P energy: -112.886 tors. eta vs tors. theta energy: -113.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1464.447999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.447999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.447999 (E_RNA) where: Base-Base interactions energy: -884.825 where: short stacking energy: -420.268 Base-Backbone interact. energy: -2.349 local terms energy: -577.274104 where: bonds (distance) C4'-P energy: -133.907 bonds (distance) P-C4' energy: -154.049 flat angles C4'-P-C4' energy: -137.967 flat angles P-C4'-P energy: -83.571 tors. eta vs tors. theta energy: -67.780 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: 137 Temperature: 1.300000 Total energy: -1046.491520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.491520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.491520 (E_RNA) where: Base-Base interactions energy: -515.745 where: short stacking energy: -315.631 Base-Backbone interact. energy: -1.353 local terms energy: -529.393272 where: bonds (distance) C4'-P energy: -146.467 bonds (distance) P-C4' energy: -164.443 flat angles C4'-P-C4' energy: -142.386 flat angles P-C4'-P energy: -58.125 tors. eta vs tors. theta energy: -17.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -696.452769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.452769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.452769 (E_RNA) where: Base-Base interactions energy: -251.192 where: short stacking energy: -198.748 Base-Backbone interact. energy: 2.855 local terms energy: -448.115873 where: bonds (distance) C4'-P energy: -138.485 bonds (distance) P-C4' energy: -156.989 flat angles C4'-P-C4' energy: -126.384 flat angles P-C4'-P energy: -62.494 tors. eta vs tors. theta energy: 36.236 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: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3082.174904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.174904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.174904 (E_RNA) where: Base-Base interactions energy: -2119.158 where: short stacking energy: -981.547 Base-Backbone interact. energy: -4.382 local terms energy: -958.634705 where: bonds (distance) C4'-P energy: -168.522 bonds (distance) P-C4' energy: -168.188 flat angles C4'-P-C4' energy: -210.570 flat angles P-C4'-P energy: -130.275 tors. eta vs tors. theta energy: -281.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2932.273159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.273159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.273159 (E_RNA) where: Base-Base interactions energy: -1959.407 where: short stacking energy: -910.200 Base-Backbone interact. energy: -6.212 local terms energy: -966.654033 where: bonds (distance) C4'-P energy: -175.943 bonds (distance) P-C4' energy: -183.390 flat angles C4'-P-C4' energy: -211.283 flat angles P-C4'-P energy: -146.081 tors. eta vs tors. theta energy: -249.957 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: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2754.544794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.544794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.544794 (E_RNA) where: Base-Base interactions energy: -1866.999 where: short stacking energy: -792.521 Base-Backbone interact. energy: -6.093 local terms energy: -881.453031 where: bonds (distance) C4'-P energy: -167.561 bonds (distance) P-C4' energy: -182.029 flat angles C4'-P-C4' energy: -207.437 flat angles P-C4'-P energy: -107.159 tors. eta vs tors. theta energy: -217.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2566.788662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.788662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.788662 (E_RNA) where: Base-Base interactions energy: -1695.760 where: short stacking energy: -774.549 Base-Backbone interact. energy: 1.528 local terms energy: -872.557232 where: bonds (distance) C4'-P energy: -173.325 bonds (distance) P-C4' energy: -190.030 flat angles C4'-P-C4' energy: -188.280 flat angles P-C4'-P energy: -101.680 tors. eta vs tors. theta energy: -219.241 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: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2516.913773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.913773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.913773 (E_RNA) where: Base-Base interactions energy: -1662.732 where: short stacking energy: -730.396 Base-Backbone interact. energy: -3.386 local terms energy: -850.795306 where: bonds (distance) C4'-P energy: -155.700 bonds (distance) P-C4' energy: -168.956 flat angles C4'-P-C4' energy: -193.752 flat angles P-C4'-P energy: -122.607 tors. eta vs tors. theta energy: -209.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1895.649350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.649350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.649350 (E_RNA) where: Base-Base interactions energy: -1190.892 where: short stacking energy: -583.427 Base-Backbone interact. energy: -1.358 local terms energy: -703.399843 where: bonds (distance) C4'-P energy: -154.253 bonds (distance) P-C4' energy: -175.944 flat angles C4'-P-C4' energy: -158.256 flat angles P-C4'-P energy: -93.887 tors. eta vs tors. theta energy: -121.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1829.606973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.606973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.606973 (E_RNA) where: Base-Base interactions energy: -1125.654 where: short stacking energy: -563.904 Base-Backbone interact. energy: -0.774 local terms energy: -703.179614 where: bonds (distance) C4'-P energy: -141.103 bonds (distance) P-C4' energy: -176.157 flat angles C4'-P-C4' energy: -158.777 flat angles P-C4'-P energy: -99.763 tors. eta vs tors. theta energy: -127.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1659.541462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.541462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.541462 (E_RNA) where: Base-Base interactions energy: -1007.445 where: short stacking energy: -482.645 Base-Backbone interact. energy: -0.841 local terms energy: -651.255087 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -144.643 flat angles C4'-P-C4' energy: -167.897 flat angles P-C4'-P energy: -102.953 tors. eta vs tors. theta energy: -95.173 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: 138 Temperature: 1.300000 Total energy: -1063.054210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.054210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.054210 (E_RNA) where: Base-Base interactions energy: -555.556 where: short stacking energy: -312.214 Base-Backbone interact. energy: -1.530 local terms energy: -505.968597 where: bonds (distance) C4'-P energy: -135.806 bonds (distance) P-C4' energy: -145.024 flat angles C4'-P-C4' energy: -132.576 flat angles P-C4'-P energy: -86.574 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -685.161509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.161509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.161509 (E_RNA) where: Base-Base interactions energy: -253.834 where: short stacking energy: -215.619 Base-Backbone interact. energy: -0.581 local terms energy: -430.745938 where: bonds (distance) C4'-P energy: -132.691 bonds (distance) P-C4' energy: -143.983 flat angles C4'-P-C4' energy: -116.319 flat angles P-C4'-P energy: -67.181 tors. eta vs tors. theta energy: 29.428 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: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3096.841768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.841768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.841768 (E_RNA) where: Base-Base interactions energy: -2095.223 where: short stacking energy: -961.652 Base-Backbone interact. energy: -6.312 local terms energy: -995.306157 where: bonds (distance) C4'-P energy: -175.255 bonds (distance) P-C4' energy: -186.215 flat angles C4'-P-C4' energy: -207.821 flat angles P-C4'-P energy: -143.102 tors. eta vs tors. theta energy: -282.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2974.732501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.732501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.732501 (E_RNA) where: Base-Base interactions energy: -2013.054 where: short stacking energy: -927.165 Base-Backbone interact. energy: -0.084 local terms energy: -961.594648 where: bonds (distance) C4'-P energy: -174.619 bonds (distance) P-C4' energy: -169.373 flat angles C4'-P-C4' energy: -209.764 flat angles P-C4'-P energy: -142.181 tors. eta vs tors. theta energy: -265.657 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: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2803.802386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.802386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.802386 (E_RNA) where: Base-Base interactions energy: -1900.683 where: short stacking energy: -866.419 Base-Backbone interact. energy: -4.589 local terms energy: -898.530342 where: bonds (distance) C4'-P energy: -183.826 bonds (distance) P-C4' energy: -170.692 flat angles C4'-P-C4' energy: -194.344 flat angles P-C4'-P energy: -115.593 tors. eta vs tors. theta energy: -234.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2567.714787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.714787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.714787 (E_RNA) where: Base-Base interactions energy: -1704.816 where: short stacking energy: -794.933 Base-Backbone interact. energy: -0.528 local terms energy: -862.370393 where: bonds (distance) C4'-P energy: -143.835 bonds (distance) P-C4' energy: -184.928 flat angles C4'-P-C4' energy: -179.103 flat angles P-C4'-P energy: -123.407 tors. eta vs tors. theta energy: -231.098 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: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2469.314688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.314688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.314688 (E_RNA) where: Base-Base interactions energy: -1648.501 where: short stacking energy: -753.246 Base-Backbone interact. energy: -1.873 local terms energy: -818.941144 where: bonds (distance) C4'-P energy: -151.843 bonds (distance) P-C4' energy: -187.880 flat angles C4'-P-C4' energy: -166.608 flat angles P-C4'-P energy: -113.824 tors. eta vs tors. theta energy: -198.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1947.096261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.096261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.096261 (E_RNA) where: Base-Base interactions energy: -1216.856 where: short stacking energy: -584.826 Base-Backbone interact. energy: 0.875 local terms energy: -731.115719 where: bonds (distance) C4'-P energy: -161.922 bonds (distance) P-C4' energy: -165.822 flat angles C4'-P-C4' energy: -171.623 flat angles P-C4'-P energy: -99.547 tors. eta vs tors. theta energy: -132.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1870.782481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.782481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.782481 (E_RNA) where: Base-Base interactions energy: -1183.934 where: short stacking energy: -591.033 Base-Backbone interact. energy: -1.110 local terms energy: -685.738080 where: bonds (distance) C4'-P energy: -142.199 bonds (distance) P-C4' energy: -144.698 flat angles C4'-P-C4' energy: -161.300 flat angles P-C4'-P energy: -114.082 tors. eta vs tors. theta energy: -123.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1624.511546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.511546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.511546 (E_RNA) where: Base-Base interactions energy: -987.384 where: short stacking energy: -442.864 Base-Backbone interact. energy: -1.177 local terms energy: -635.950382 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -150.117 flat angles C4'-P-C4' energy: -168.272 flat angles P-C4'-P energy: -87.593 tors. eta vs tors. theta energy: -85.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1167.134816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.134816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.134816 (E_RNA) where: Base-Base interactions energy: -632.393 where: short stacking energy: -350.686 Base-Backbone interact. energy: 2.022 local terms energy: -536.763895 where: bonds (distance) C4'-P energy: -147.654 bonds (distance) P-C4' energy: -161.190 flat angles C4'-P-C4' energy: -120.622 flat angles P-C4'-P energy: -63.128 tors. eta vs tors. theta energy: -44.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -739.908350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.908350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.908350 (E_RNA) where: Base-Base interactions energy: -253.233 where: short stacking energy: -220.948 Base-Backbone interact. energy: -3.730 local terms energy: -482.945115 where: bonds (distance) C4'-P energy: -138.101 bonds (distance) P-C4' energy: -158.880 flat angles C4'-P-C4' energy: -135.943 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: 22.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3132.504455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.504455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.504455 (E_RNA) where: Base-Base interactions energy: -2105.107 where: short stacking energy: -982.985 Base-Backbone interact. energy: -7.436 local terms energy: -1019.961186 where: bonds (distance) C4'-P energy: -182.079 bonds (distance) P-C4' energy: -189.244 flat angles C4'-P-C4' energy: -220.902 flat angles P-C4'-P energy: -140.086 tors. eta vs tors. theta energy: -287.651 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: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2931.090853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.090853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.090853 (E_RNA) where: Base-Base interactions energy: -1981.539 where: short stacking energy: -891.364 Base-Backbone interact. energy: -1.221 local terms energy: -948.330396 where: bonds (distance) C4'-P energy: -184.684 bonds (distance) P-C4' energy: -163.355 flat angles C4'-P-C4' energy: -203.366 flat angles P-C4'-P energy: -126.873 tors. eta vs tors. theta energy: -270.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2805.494545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.494545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.494545 (E_RNA) where: Base-Base interactions energy: -1890.469 where: short stacking energy: -861.004 Base-Backbone interact. energy: -1.152 local terms energy: -913.873761 where: bonds (distance) C4'-P energy: -159.088 bonds (distance) P-C4' energy: -184.713 flat angles C4'-P-C4' energy: -197.677 flat angles P-C4'-P energy: -130.211 tors. eta vs tors. theta energy: -242.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2562.976512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.976512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.976512 (E_RNA) where: Base-Base interactions energy: -1686.480 where: short stacking energy: -778.117 Base-Backbone interact. energy: -1.929 local terms energy: -874.567082 where: bonds (distance) C4'-P energy: -170.061 bonds (distance) P-C4' energy: -181.239 flat angles C4'-P-C4' energy: -176.530 flat angles P-C4'-P energy: -135.994 tors. eta vs tors. theta energy: -210.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2475.566094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.566094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.566094 (E_RNA) where: Base-Base interactions energy: -1622.870 where: short stacking energy: -758.043 Base-Backbone interact. energy: 3.682 local terms energy: -856.377589 where: bonds (distance) C4'-P energy: -144.920 bonds (distance) P-C4' energy: -175.473 flat angles C4'-P-C4' energy: -180.778 flat angles P-C4'-P energy: -128.451 tors. eta vs tors. theta energy: -226.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1939.319879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.319879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.319879 (E_RNA) where: Base-Base interactions energy: -1230.915 where: short stacking energy: -588.881 Base-Backbone interact. energy: 0.795 local terms energy: -709.200514 where: bonds (distance) C4'-P energy: -162.801 bonds (distance) P-C4' energy: -168.515 flat angles C4'-P-C4' energy: -158.362 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -131.114 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: 140 Temperature: 1.200000 Total energy: -1752.874769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.874769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.874769 (E_RNA) where: Base-Base interactions energy: -1078.490 where: short stacking energy: -526.331 Base-Backbone interact. energy: 2.028 local terms energy: -676.412998 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -170.079 flat angles P-C4'-P energy: -102.025 tors. eta vs tors. theta energy: -117.162 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: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1712.321975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.321975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.321975 (E_RNA) where: Base-Base interactions energy: -1030.315 where: short stacking energy: -497.163 Base-Backbone interact. energy: 1.098 local terms energy: -683.105055 where: bonds (distance) C4'-P energy: -166.489 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -116.047 tors. eta vs tors. theta energy: -99.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1218.964617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.964617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.964617 (E_RNA) where: Base-Base interactions energy: -660.966 where: short stacking energy: -369.106 Base-Backbone interact. energy: 1.941 local terms energy: -559.939652 where: bonds (distance) C4'-P energy: -159.057 bonds (distance) P-C4' energy: -166.756 flat angles C4'-P-C4' energy: -113.239 flat angles P-C4'-P energy: -80.808 tors. eta vs tors. theta energy: -40.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -674.366350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.366350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.366350 (E_RNA) where: Base-Base interactions energy: -226.003 where: short stacking energy: -199.742 Base-Backbone interact. energy: -1.765 local terms energy: -446.598723 where: bonds (distance) C4'-P energy: -135.789 bonds (distance) P-C4' energy: -136.254 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -77.855 tors. eta vs tors. theta energy: 49.903 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: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3101.703885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.703885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.703885 (E_RNA) where: Base-Base interactions energy: -2097.753 where: short stacking energy: -984.207 Base-Backbone interact. energy: -2.051 local terms energy: -1001.900591 where: bonds (distance) C4'-P energy: -178.789 bonds (distance) P-C4' energy: -185.443 flat angles C4'-P-C4' energy: -204.261 flat angles P-C4'-P energy: -147.382 tors. eta vs tors. theta energy: -286.026 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: 141 Temperature: 0.950000 Total energy: -2912.128514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.128514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.128514 (E_RNA) where: Base-Base interactions energy: -1950.790 where: short stacking energy: -860.426 Base-Backbone interact. energy: -3.046 local terms energy: -958.292755 where: bonds (distance) C4'-P energy: -183.465 bonds (distance) P-C4' energy: -192.091 flat angles C4'-P-C4' energy: -193.688 flat angles P-C4'-P energy: -132.760 tors. eta vs tors. theta energy: -256.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2762.122875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.122875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.122875 (E_RNA) where: Base-Base interactions energy: -1848.847 where: short stacking energy: -833.001 Base-Backbone interact. energy: -3.693 local terms energy: -909.583589 where: bonds (distance) C4'-P energy: -177.951 bonds (distance) P-C4' energy: -189.699 flat angles C4'-P-C4' energy: -194.135 flat angles P-C4'-P energy: -124.541 tors. eta vs tors. theta energy: -223.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2565.529710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.529710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.529710 (E_RNA) where: Base-Base interactions energy: -1728.079 where: short stacking energy: -783.990 Base-Backbone interact. energy: 0.078 local terms energy: -837.528663 where: bonds (distance) C4'-P energy: -161.134 bonds (distance) P-C4' energy: -162.692 flat angles C4'-P-C4' energy: -186.628 flat angles P-C4'-P energy: -116.860 tors. eta vs tors. theta energy: -210.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2448.087696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.087696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.087696 (E_RNA) where: Base-Base interactions energy: -1612.340 where: short stacking energy: -749.326 Base-Backbone interact. energy: -4.551 local terms energy: -831.197125 where: bonds (distance) C4'-P energy: -176.133 bonds (distance) P-C4' energy: -155.690 flat angles C4'-P-C4' energy: -175.358 flat angles P-C4'-P energy: -122.873 tors. eta vs tors. theta energy: -201.143 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: 141 Temperature: 1.150000 Total energy: -1907.048008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.048008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.048008 (E_RNA) where: Base-Base interactions energy: -1222.058 where: short stacking energy: -557.989 Base-Backbone interact. energy: -3.241 local terms energy: -681.749422 where: bonds (distance) C4'-P energy: -155.790 bonds (distance) P-C4' energy: -162.633 flat angles C4'-P-C4' energy: -148.530 flat angles P-C4'-P energy: -108.581 tors. eta vs tors. theta energy: -106.216 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: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1730.768380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.768380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.768380 (E_RNA) where: Base-Base interactions energy: -1096.865 where: short stacking energy: -547.014 Base-Backbone interact. energy: -4.435 local terms energy: -629.468747 where: bonds (distance) C4'-P energy: -109.485 bonds (distance) P-C4' energy: -151.545 flat angles C4'-P-C4' energy: -165.144 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -122.774 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: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1696.043789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.043789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.043789 (E_RNA) where: Base-Base interactions energy: -1027.639 where: short stacking energy: -503.721 Base-Backbone interact. energy: -3.206 local terms energy: -665.198157 where: bonds (distance) C4'-P energy: -162.639 bonds (distance) P-C4' energy: -158.019 flat angles C4'-P-C4' energy: -139.608 flat angles P-C4'-P energy: -101.112 tors. eta vs tors. theta energy: -103.820 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: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1228.685255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.685255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.685255 (E_RNA) where: Base-Base interactions energy: -696.202 where: short stacking energy: -372.010 Base-Backbone interact. energy: 3.797 local terms energy: -536.280164 where: bonds (distance) C4'-P energy: -138.088 bonds (distance) P-C4' energy: -150.138 flat angles C4'-P-C4' energy: -141.780 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -41.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -692.145912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.145912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.145912 (E_RNA) where: Base-Base interactions energy: -281.210 where: short stacking energy: -208.469 Base-Backbone interact. energy: 12.607 local terms energy: -423.543302 where: bonds (distance) C4'-P energy: -136.001 bonds (distance) P-C4' energy: -148.542 flat angles C4'-P-C4' energy: -110.224 flat angles P-C4'-P energy: -59.166 tors. eta vs tors. theta energy: 30.389 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: 142 Temperature: 0.900000 Total energy: -3097.041218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.041218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.041218 (E_RNA) where: Base-Base interactions energy: -2079.242 where: short stacking energy: -944.480 Base-Backbone interact. energy: -2.617 local terms energy: -1015.182571 where: bonds (distance) C4'-P energy: -182.874 bonds (distance) P-C4' energy: -193.974 flat angles C4'-P-C4' energy: -214.630 flat angles P-C4'-P energy: -136.162 tors. eta vs tors. theta energy: -287.544 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: 142 Temperature: 0.950000 Total energy: -2920.105510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.105510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.105510 (E_RNA) where: Base-Base interactions energy: -1968.374 where: short stacking energy: -866.940 Base-Backbone interact. energy: -1.630 local terms energy: -950.101129 where: bonds (distance) C4'-P energy: -161.264 bonds (distance) P-C4' energy: -182.777 flat angles C4'-P-C4' energy: -201.611 flat angles P-C4'-P energy: -141.480 tors. eta vs tors. theta energy: -262.969 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: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2755.514045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.514045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.514045 (E_RNA) where: Base-Base interactions energy: -1885.875 where: short stacking energy: -839.781 Base-Backbone interact. energy: -2.947 local terms energy: -866.691847 where: bonds (distance) C4'-P energy: -171.014 bonds (distance) P-C4' energy: -173.596 flat angles C4'-P-C4' energy: -188.547 flat angles P-C4'-P energy: -113.216 tors. eta vs tors. theta energy: -220.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2575.021416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.021416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.021416 (E_RNA) where: Base-Base interactions energy: -1710.478 where: short stacking energy: -788.850 Base-Backbone interact. energy: -4.157 local terms energy: -860.386607 where: bonds (distance) C4'-P energy: -159.971 bonds (distance) P-C4' energy: -164.377 flat angles C4'-P-C4' energy: -198.584 flat angles P-C4'-P energy: -126.798 tors. eta vs tors. theta energy: -210.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2390.362558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.362558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.362558 (E_RNA) where: Base-Base interactions energy: -1579.722 where: short stacking energy: -715.487 Base-Backbone interact. energy: -2.636 local terms energy: -808.004503 where: bonds (distance) C4'-P energy: -156.005 bonds (distance) P-C4' energy: -194.566 flat angles C4'-P-C4' energy: -171.078 flat angles P-C4'-P energy: -104.695 tors. eta vs tors. theta energy: -181.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1976.404242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.404242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.404242 (E_RNA) where: Base-Base interactions energy: -1245.673 where: short stacking energy: -607.177 Base-Backbone interact. energy: 3.984 local terms energy: -734.715441 where: bonds (distance) C4'-P energy: -161.907 bonds (distance) P-C4' energy: -177.210 flat angles C4'-P-C4' energy: -154.855 flat angles P-C4'-P energy: -108.392 tors. eta vs tors. theta energy: -132.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1830.793015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.793015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.793015 (E_RNA) where: Base-Base interactions energy: -1107.995 where: short stacking energy: -551.728 Base-Backbone interact. energy: -0.490 local terms energy: -722.307928 where: bonds (distance) C4'-P energy: -151.484 bonds (distance) P-C4' energy: -156.821 flat angles C4'-P-C4' energy: -173.179 flat angles P-C4'-P energy: -113.525 tors. eta vs tors. theta energy: -127.300 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: 142 Temperature: 1.250000 Total energy: -1614.599412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.599412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.599412 (E_RNA) where: Base-Base interactions energy: -936.255 where: short stacking energy: -444.709 Base-Backbone interact. energy: 2.382 local terms energy: -680.726064 where: bonds (distance) C4'-P energy: -137.599 bonds (distance) P-C4' energy: -182.056 flat angles C4'-P-C4' energy: -150.692 flat angles P-C4'-P energy: -110.777 tors. eta vs tors. theta energy: -99.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1236.320810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.320810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.320810 (E_RNA) where: Base-Base interactions energy: -656.436 where: short stacking energy: -363.560 Base-Backbone interact. energy: -2.537 local terms energy: -577.346930 where: bonds (distance) C4'-P energy: -142.419 bonds (distance) P-C4' energy: -175.683 flat angles C4'-P-C4' energy: -133.994 flat angles P-C4'-P energy: -97.094 tors. eta vs tors. theta energy: -28.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -718.075506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.075506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.075506 (E_RNA) where: Base-Base interactions energy: -288.574 where: short stacking energy: -212.703 Base-Backbone interact. energy: -2.340 local terms energy: -427.161760 where: bonds (distance) C4'-P energy: -127.276 bonds (distance) P-C4' energy: -150.525 flat angles C4'-P-C4' energy: -93.516 flat angles P-C4'-P energy: -82.882 tors. eta vs tors. theta energy: 27.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3089.495924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.495924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.495924 (E_RNA) where: Base-Base interactions energy: -2083.836 where: short stacking energy: -966.477 Base-Backbone interact. energy: 0.642 local terms energy: -1006.302241 where: bonds (distance) C4'-P energy: -178.466 bonds (distance) P-C4' energy: -181.170 flat angles C4'-P-C4' energy: -212.247 flat angles P-C4'-P energy: -153.481 tors. eta vs tors. theta energy: -280.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2924.629081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.629081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.629081 (E_RNA) where: Base-Base interactions energy: -1966.695 where: short stacking energy: -896.203 Base-Backbone interact. energy: -5.495 local terms energy: -952.439412 where: bonds (distance) C4'-P energy: -181.109 bonds (distance) P-C4' energy: -178.472 flat angles C4'-P-C4' energy: -202.507 flat angles P-C4'-P energy: -122.967 tors. eta vs tors. theta energy: -267.384 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: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2724.893524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.893524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.893524 (E_RNA) where: Base-Base interactions energy: -1893.538 where: short stacking energy: -807.419 Base-Backbone interact. energy: -4.256 local terms energy: -827.099383 where: bonds (distance) C4'-P energy: -159.762 bonds (distance) P-C4' energy: -161.232 flat angles C4'-P-C4' energy: -187.190 flat angles P-C4'-P energy: -112.765 tors. eta vs tors. theta energy: -206.152 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: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2589.922876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.922876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.922876 (E_RNA) where: Base-Base interactions energy: -1747.338 where: short stacking energy: -781.328 Base-Backbone interact. energy: -3.460 local terms energy: -839.125062 where: bonds (distance) C4'-P energy: -159.158 bonds (distance) P-C4' energy: -167.100 flat angles C4'-P-C4' energy: -176.429 flat angles P-C4'-P energy: -121.233 tors. eta vs tors. theta energy: -215.204 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: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2341.439227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.439227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.439227 (E_RNA) where: Base-Base interactions energy: -1573.952 where: short stacking energy: -732.629 Base-Backbone interact. energy: 1.726 local terms energy: -769.212475 where: bonds (distance) C4'-P energy: -165.521 bonds (distance) P-C4' energy: -156.865 flat angles C4'-P-C4' energy: -182.816 flat angles P-C4'-P energy: -77.985 tors. eta vs tors. theta energy: -186.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1909.781334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.781334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.781334 (E_RNA) where: Base-Base interactions energy: -1225.770 where: short stacking energy: -556.485 Base-Backbone interact. energy: 0.913 local terms energy: -684.924406 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -149.238 flat angles C4'-P-C4' energy: -172.192 flat angles P-C4'-P energy: -105.560 tors. eta vs tors. theta energy: -120.928 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: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1809.440650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.440650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.440650 (E_RNA) where: Base-Base interactions energy: -1131.880 where: short stacking energy: -518.853 Base-Backbone interact. energy: -2.270 local terms energy: -675.290476 where: bonds (distance) C4'-P energy: -151.984 bonds (distance) P-C4' energy: -151.718 flat angles C4'-P-C4' energy: -153.737 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -112.549 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: 143 Temperature: 1.250000 Total energy: -1529.439233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.439233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.439233 (E_RNA) where: Base-Base interactions energy: -910.224 where: short stacking energy: -454.738 Base-Backbone interact. energy: -2.450 local terms energy: -616.765194 where: bonds (distance) C4'-P energy: -145.874 bonds (distance) P-C4' energy: -168.694 flat angles C4'-P-C4' energy: -150.216 flat angles P-C4'-P energy: -72.972 tors. eta vs tors. theta energy: -79.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1188.759590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.759590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.759590 (E_RNA) where: Base-Base interactions energy: -628.822 where: short stacking energy: -319.090 Base-Backbone interact. energy: 1.499 local terms energy: -561.437276 where: bonds (distance) C4'-P energy: -153.439 bonds (distance) P-C4' energy: -157.918 flat angles C4'-P-C4' energy: -151.456 flat angles P-C4'-P energy: -56.990 tors. eta vs tors. theta energy: -41.634 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: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -717.044592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.044592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.044592 (E_RNA) where: Base-Base interactions energy: -246.450 where: short stacking energy: -195.702 Base-Backbone interact. energy: 3.871 local terms energy: -474.465880 where: bonds (distance) C4'-P energy: -151.822 bonds (distance) P-C4' energy: -155.864 flat angles C4'-P-C4' energy: -119.883 flat angles P-C4'-P energy: -84.175 tors. eta vs tors. theta energy: 37.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3127.007901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.007901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.007901 (E_RNA) where: Base-Base interactions energy: -2101.714 where: short stacking energy: -994.470 Base-Backbone interact. energy: -3.690 local terms energy: -1021.604205 where: bonds (distance) C4'-P energy: -170.697 bonds (distance) P-C4' energy: -187.207 flat angles C4'-P-C4' energy: -213.260 flat angles P-C4'-P energy: -159.141 tors. eta vs tors. theta energy: -291.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2949.352261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.352261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.352261 (E_RNA) where: Base-Base interactions energy: -2004.684 where: short stacking energy: -904.949 Base-Backbone interact. energy: -4.319 local terms energy: -940.349053 where: bonds (distance) C4'-P energy: -176.222 bonds (distance) P-C4' energy: -179.365 flat angles C4'-P-C4' energy: -196.228 flat angles P-C4'-P energy: -128.377 tors. eta vs tors. theta energy: -260.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2728.379605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.379605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.379605 (E_RNA) where: Base-Base interactions energy: -1850.530 where: short stacking energy: -813.029 Base-Backbone interact. energy: -2.255 local terms energy: -875.594450 where: bonds (distance) C4'-P energy: -164.331 bonds (distance) P-C4' energy: -176.521 flat angles C4'-P-C4' energy: -199.766 flat angles P-C4'-P energy: -135.759 tors. eta vs tors. theta energy: -199.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2590.190667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.190667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.190667 (E_RNA) where: Base-Base interactions energy: -1753.702 where: short stacking energy: -784.668 Base-Backbone interact. energy: 0.128 local terms energy: -836.616541 where: bonds (distance) C4'-P energy: -166.078 bonds (distance) P-C4' energy: -157.500 flat angles C4'-P-C4' energy: -175.432 flat angles P-C4'-P energy: -127.810 tors. eta vs tors. theta energy: -209.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2372.735571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.735571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.735571 (E_RNA) where: Base-Base interactions energy: -1551.608 where: short stacking energy: -698.020 Base-Backbone interact. energy: -2.654 local terms energy: -818.473584 where: bonds (distance) C4'-P energy: -162.189 bonds (distance) P-C4' energy: -162.620 flat angles C4'-P-C4' energy: -179.152 flat angles P-C4'-P energy: -129.660 tors. eta vs tors. theta energy: -184.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1980.105851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.105851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.105851 (E_RNA) where: Base-Base interactions energy: -1232.254 where: short stacking energy: -590.840 Base-Backbone interact. energy: -6.447 local terms energy: -741.404533 where: bonds (distance) C4'-P energy: -158.337 bonds (distance) P-C4' energy: -165.670 flat angles C4'-P-C4' energy: -165.306 flat angles P-C4'-P energy: -102.986 tors. eta vs tors. theta energy: -149.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1816.785556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.785556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.785556 (E_RNA) where: Base-Base interactions energy: -1158.514 where: short stacking energy: -550.567 Base-Backbone interact. energy: -0.273 local terms energy: -657.998618 where: bonds (distance) C4'-P energy: -148.887 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -177.162 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -109.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1501.295985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.295985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.295985 (E_RNA) where: Base-Base interactions energy: -882.970 where: short stacking energy: -450.609 Base-Backbone interact. energy: 1.007 local terms energy: -619.333398 where: bonds (distance) C4'-P energy: -147.181 bonds (distance) P-C4' energy: -168.770 flat angles C4'-P-C4' energy: -123.413 flat angles P-C4'-P energy: -93.417 tors. eta vs tors. theta energy: -86.553 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: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1273.188065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.188065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.188065 (E_RNA) where: Base-Base interactions energy: -706.890 where: short stacking energy: -386.478 Base-Backbone interact. energy: 0.970 local terms energy: -567.268133 where: bonds (distance) C4'-P energy: -138.619 bonds (distance) P-C4' energy: -155.827 flat angles C4'-P-C4' energy: -152.472 flat angles P-C4'-P energy: -86.118 tors. eta vs tors. theta energy: -34.231 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -726.374033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.374033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.374033 (E_RNA) where: Base-Base interactions energy: -273.979 where: short stacking energy: -196.681 Base-Backbone interact. energy: 2.250 local terms energy: -454.644965 where: bonds (distance) C4'-P energy: -151.305 bonds (distance) P-C4' energy: -164.728 flat angles C4'-P-C4' energy: -113.062 flat angles P-C4'-P energy: -61.563 tors. eta vs tors. theta energy: 36.013 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: 145 Temperature: 0.900000 Total energy: -3107.587914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.587914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.587914 (E_RNA) where: Base-Base interactions energy: -2077.731 where: short stacking energy: -977.914 Base-Backbone interact. energy: -2.988 local terms energy: -1026.869102 where: bonds (distance) C4'-P energy: -196.217 bonds (distance) P-C4' energy: -180.707 flat angles C4'-P-C4' energy: -222.182 flat angles P-C4'-P energy: -145.062 tors. eta vs tors. theta energy: -282.701 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: 145 Temperature: 0.950000 Total energy: -2987.950878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.950878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.950878 (E_RNA) where: Base-Base interactions energy: -2055.219 where: short stacking energy: -917.267 Base-Backbone interact. energy: -6.627 local terms energy: -926.104771 where: bonds (distance) C4'-P energy: -154.180 bonds (distance) P-C4' energy: -173.097 flat angles C4'-P-C4' energy: -206.366 flat angles P-C4'-P energy: -127.449 tors. eta vs tors. theta energy: -265.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2706.004527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.004527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.004527 (E_RNA) where: Base-Base interactions energy: -1836.331 where: short stacking energy: -792.477 Base-Backbone interact. energy: 3.309 local terms energy: -872.983265 where: bonds (distance) C4'-P energy: -164.929 bonds (distance) P-C4' energy: -175.798 flat angles C4'-P-C4' energy: -206.105 flat angles P-C4'-P energy: -114.416 tors. eta vs tors. theta energy: -211.735 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: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2591.376386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.376386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.376386 (E_RNA) where: Base-Base interactions energy: -1715.812 where: short stacking energy: -780.049 Base-Backbone interact. energy: -1.905 local terms energy: -873.659356 where: bonds (distance) C4'-P energy: -161.803 bonds (distance) P-C4' energy: -160.701 flat angles C4'-P-C4' energy: -192.962 flat angles P-C4'-P energy: -126.296 tors. eta vs tors. theta energy: -231.897 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2357.424550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.424550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.424550 (E_RNA) where: Base-Base interactions energy: -1543.566 where: short stacking energy: -702.838 Base-Backbone interact. energy: -1.931 local terms energy: -811.926923 where: bonds (distance) C4'-P energy: -180.603 bonds (distance) P-C4' energy: -160.196 flat angles C4'-P-C4' energy: -167.207 flat angles P-C4'-P energy: -118.185 tors. eta vs tors. theta energy: -185.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2013.106428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.106428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.106428 (E_RNA) where: Base-Base interactions energy: -1293.542 where: short stacking energy: -593.845 Base-Backbone interact. energy: -0.448 local terms energy: -719.116951 where: bonds (distance) C4'-P energy: -136.649 bonds (distance) P-C4' energy: -169.664 flat angles C4'-P-C4' energy: -166.541 flat angles P-C4'-P energy: -110.307 tors. eta vs tors. theta energy: -135.956 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: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1757.692589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.692589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.692589 (E_RNA) where: Base-Base interactions energy: -1059.373 where: short stacking energy: -501.822 Base-Backbone interact. energy: -3.679 local terms energy: -694.640778 where: bonds (distance) C4'-P energy: -157.358 bonds (distance) P-C4' energy: -171.649 flat angles C4'-P-C4' energy: -151.864 flat angles P-C4'-P energy: -104.895 tors. eta vs tors. theta energy: -108.875 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: 145 Temperature: 1.250000 Total energy: -1506.273050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.273050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.273050 (E_RNA) where: Base-Base interactions energy: -892.457 where: short stacking energy: -424.601 Base-Backbone interact. energy: -2.152 local terms energy: -611.664415 where: bonds (distance) C4'-P energy: -155.856 bonds (distance) P-C4' energy: -145.742 flat angles C4'-P-C4' energy: -156.993 flat angles P-C4'-P energy: -82.799 tors. eta vs tors. theta energy: -70.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1222.480690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.480690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.480690 (E_RNA) where: Base-Base interactions energy: -664.707 where: short stacking energy: -361.580 Base-Backbone interact. energy: 2.408 local terms energy: -560.181695 where: bonds (distance) C4'-P energy: -147.802 bonds (distance) P-C4' energy: -146.738 flat angles C4'-P-C4' energy: -159.626 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: -34.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -753.178767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.178767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.178767 (E_RNA) where: Base-Base interactions energy: -289.613 where: short stacking energy: -199.857 Base-Backbone interact. energy: 5.787 local terms energy: -469.351989 where: bonds (distance) C4'-P energy: -127.794 bonds (distance) P-C4' energy: -169.631 flat angles C4'-P-C4' energy: -127.943 flat angles P-C4'-P energy: -71.382 tors. eta vs tors. theta energy: 27.398 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: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3104.280761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.280761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.280761 (E_RNA) where: Base-Base interactions energy: -2058.568 where: short stacking energy: -960.549 Base-Backbone interact. energy: -2.134 local terms energy: -1043.578327 where: bonds (distance) C4'-P energy: -193.104 bonds (distance) P-C4' energy: -200.036 flat angles C4'-P-C4' energy: -214.308 flat angles P-C4'-P energy: -146.470 tors. eta vs tors. theta energy: -289.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -3008.954601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.954601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.954601 (E_RNA) where: Base-Base interactions energy: -2023.487 where: short stacking energy: -893.796 Base-Backbone interact. energy: -3.404 local terms energy: -982.063503 where: bonds (distance) C4'-P energy: -174.750 bonds (distance) P-C4' energy: -179.367 flat angles C4'-P-C4' energy: -212.709 flat angles P-C4'-P energy: -141.662 tors. eta vs tors. theta energy: -273.576 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: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2701.363103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.363103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.363103 (E_RNA) where: Base-Base interactions energy: -1844.724 where: short stacking energy: -834.892 Base-Backbone interact. energy: 5.088 local terms energy: -861.726575 where: bonds (distance) C4'-P energy: -163.225 bonds (distance) P-C4' energy: -178.904 flat angles C4'-P-C4' energy: -187.812 flat angles P-C4'-P energy: -123.905 tors. eta vs tors. theta energy: -207.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2607.668161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.668161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.668161 (E_RNA) where: Base-Base interactions energy: -1731.519 where: short stacking energy: -800.978 Base-Backbone interact. energy: -3.062 local terms energy: -873.087244 where: bonds (distance) C4'-P energy: -163.241 bonds (distance) P-C4' energy: -159.106 flat angles C4'-P-C4' energy: -201.105 flat angles P-C4'-P energy: -122.095 tors. eta vs tors. theta energy: -227.539 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2303.872677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.872677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.872677 (E_RNA) where: Base-Base interactions energy: -1502.447 where: short stacking energy: -692.898 Base-Backbone interact. energy: -3.035 local terms energy: -798.390426 where: bonds (distance) C4'-P energy: -170.105 bonds (distance) P-C4' energy: -165.384 flat angles C4'-P-C4' energy: -178.592 flat angles P-C4'-P energy: -98.911 tors. eta vs tors. theta energy: -185.399 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: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2018.328922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.328922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.328922 (E_RNA) where: Base-Base interactions energy: -1313.297 where: short stacking energy: -627.060 Base-Backbone interact. energy: 0.186 local terms energy: -705.217872 where: bonds (distance) C4'-P energy: -151.846 bonds (distance) P-C4' energy: -172.002 flat angles C4'-P-C4' energy: -162.707 flat angles P-C4'-P energy: -88.492 tors. eta vs tors. theta energy: -130.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1675.241545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.241545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.241545 (E_RNA) where: Base-Base interactions energy: -1033.741 where: short stacking energy: -488.846 Base-Backbone interact. energy: 6.637 local terms energy: -648.137455 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -163.869 flat angles C4'-P-C4' energy: -158.437 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: -78.920 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: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1501.422997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.422997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.422997 (E_RNA) where: Base-Base interactions energy: -827.821 where: short stacking energy: -423.801 Base-Backbone interact. energy: -2.649 local terms energy: -670.952882 where: bonds (distance) C4'-P energy: -175.443 bonds (distance) P-C4' energy: -169.667 flat angles C4'-P-C4' energy: -144.364 flat angles P-C4'-P energy: -108.140 tors. eta vs tors. theta energy: -73.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1129.334056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.334056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.334056 (E_RNA) where: Base-Base interactions energy: -613.974 where: short stacking energy: -329.051 Base-Backbone interact. energy: -2.672 local terms energy: -512.688860 where: bonds (distance) C4'-P energy: -122.758 bonds (distance) P-C4' energy: -164.884 flat angles C4'-P-C4' energy: -120.243 flat angles P-C4'-P energy: -75.097 tors. eta vs tors. theta energy: -29.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -700.372094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.372094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.372094 (E_RNA) where: Base-Base interactions energy: -267.940 where: short stacking energy: -207.131 Base-Backbone interact. energy: 10.998 local terms energy: -443.429713 where: bonds (distance) C4'-P energy: -144.665 bonds (distance) P-C4' energy: -162.158 flat angles C4'-P-C4' energy: -97.007 flat angles P-C4'-P energy: -62.578 tors. eta vs tors. theta energy: 22.978 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: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3091.969128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.969128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.969128 (E_RNA) where: Base-Base interactions energy: -2106.103 where: short stacking energy: -960.327 Base-Backbone interact. energy: 1.929 local terms energy: -987.794341 where: bonds (distance) C4'-P energy: -181.196 bonds (distance) P-C4' energy: -180.457 flat angles C4'-P-C4' energy: -193.838 flat angles P-C4'-P energy: -153.535 tors. eta vs tors. theta energy: -278.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2930.065124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.065124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.065124 (E_RNA) where: Base-Base interactions energy: -1993.460 where: short stacking energy: -876.364 Base-Backbone interact. energy: -7.021 local terms energy: -929.584099 where: bonds (distance) C4'-P energy: -169.444 bonds (distance) P-C4' energy: -177.677 flat angles C4'-P-C4' energy: -201.238 flat angles P-C4'-P energy: -127.918 tors. eta vs tors. theta energy: -253.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2665.842532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.842532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.842532 (E_RNA) where: Base-Base interactions energy: -1761.053 where: short stacking energy: -794.208 Base-Backbone interact. energy: -5.005 local terms energy: -899.784674 where: bonds (distance) C4'-P energy: -179.621 bonds (distance) P-C4' energy: -180.503 flat angles C4'-P-C4' energy: -197.076 flat angles P-C4'-P energy: -131.560 tors. eta vs tors. theta energy: -211.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2646.350353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.350353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.350353 (E_RNA) where: Base-Base interactions energy: -1745.274 where: short stacking energy: -800.464 Base-Backbone interact. energy: -3.981 local terms energy: -897.095263 where: bonds (distance) C4'-P energy: -166.441 bonds (distance) P-C4' energy: -177.583 flat angles C4'-P-C4' energy: -202.661 flat angles P-C4'-P energy: -129.807 tors. eta vs tors. theta energy: -220.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2312.352695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.352695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.352695 (E_RNA) where: Base-Base interactions energy: -1492.119 where: short stacking energy: -689.632 Base-Backbone interact. energy: -2.778 local terms energy: -817.456333 where: bonds (distance) C4'-P energy: -163.769 bonds (distance) P-C4' energy: -159.958 flat angles C4'-P-C4' energy: -182.061 flat angles P-C4'-P energy: -130.213 tors. eta vs tors. theta energy: -181.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2049.155064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.155064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.155064 (E_RNA) where: Base-Base interactions energy: -1324.112 where: short stacking energy: -642.989 Base-Backbone interact. energy: -2.702 local terms energy: -722.341494 where: bonds (distance) C4'-P energy: -153.727 bonds (distance) P-C4' energy: -160.296 flat angles C4'-P-C4' energy: -170.084 flat angles P-C4'-P energy: -88.658 tors. eta vs tors. theta energy: -149.576 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: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1617.018009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.018009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.018009 (E_RNA) where: Base-Base interactions energy: -1000.101 where: short stacking energy: -461.119 Base-Backbone interact. energy: -0.917 local terms energy: -615.999698 where: bonds (distance) C4'-P energy: -149.662 bonds (distance) P-C4' energy: -150.468 flat angles C4'-P-C4' energy: -148.909 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -76.605 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: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1546.349418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.349418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.349418 (E_RNA) where: Base-Base interactions energy: -914.945 where: short stacking energy: -470.937 Base-Backbone interact. energy: 6.783 local terms energy: -638.187996 where: bonds (distance) C4'-P energy: -168.036 bonds (distance) P-C4' energy: -155.246 flat angles C4'-P-C4' energy: -145.973 flat angles P-C4'-P energy: -86.302 tors. eta vs tors. theta energy: -82.631 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: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1086.967453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.967453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.967453 (E_RNA) where: Base-Base interactions energy: -578.451 where: short stacking energy: -315.452 Base-Backbone interact. energy: 0.830 local terms energy: -509.345961 where: bonds (distance) C4'-P energy: -145.479 bonds (distance) P-C4' energy: -153.489 flat angles C4'-P-C4' energy: -122.283 flat angles P-C4'-P energy: -84.832 tors. eta vs tors. theta energy: -3.264 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: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -725.362414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.362414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.362414 (E_RNA) where: Base-Base interactions energy: -274.435 where: short stacking energy: -205.161 Base-Backbone interact. energy: -4.826 local terms energy: -446.102248 where: bonds (distance) C4'-P energy: -116.513 bonds (distance) P-C4' energy: -144.711 flat angles C4'-P-C4' energy: -122.968 flat angles P-C4'-P energy: -94.794 tors. eta vs tors. theta energy: 32.884 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: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3121.902969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.902969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.902969 (E_RNA) where: Base-Base interactions energy: -2119.767 where: short stacking energy: -950.230 Base-Backbone interact. energy: -3.639 local terms energy: -998.497115 where: bonds (distance) C4'-P energy: -197.650 bonds (distance) P-C4' energy: -194.284 flat angles C4'-P-C4' energy: -195.132 flat angles P-C4'-P energy: -128.121 tors. eta vs tors. theta energy: -283.310 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: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2951.826406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.826406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.826406 (E_RNA) where: Base-Base interactions energy: -2007.596 where: short stacking energy: -902.037 Base-Backbone interact. energy: -3.436 local terms energy: -940.793715 where: bonds (distance) C4'-P energy: -167.089 bonds (distance) P-C4' energy: -177.380 flat angles C4'-P-C4' energy: -194.093 flat angles P-C4'-P energy: -136.805 tors. eta vs tors. theta energy: -265.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2759.072905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.072905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.072905 (E_RNA) where: Base-Base interactions energy: -1863.133 where: short stacking energy: -862.615 Base-Backbone interact. energy: -3.479 local terms energy: -892.461340 where: bonds (distance) C4'-P energy: -185.650 bonds (distance) P-C4' energy: -171.422 flat angles C4'-P-C4' energy: -199.158 flat angles P-C4'-P energy: -112.711 tors. eta vs tors. theta energy: -223.521 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: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2635.198329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.198329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.198329 (E_RNA) where: Base-Base interactions energy: -1769.852 where: short stacking energy: -822.786 Base-Backbone interact. energy: -1.907 local terms energy: -863.439640 where: bonds (distance) C4'-P energy: -174.751 bonds (distance) P-C4' energy: -155.103 flat angles C4'-P-C4' energy: -188.885 flat angles P-C4'-P energy: -120.838 tors. eta vs tors. theta energy: -223.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2333.892007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.892007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.892007 (E_RNA) where: Base-Base interactions energy: -1539.942 where: short stacking energy: -668.205 Base-Backbone interact. energy: -1.620 local terms energy: -792.330077 where: bonds (distance) C4'-P energy: -155.203 bonds (distance) P-C4' energy: -162.443 flat angles C4'-P-C4' energy: -187.812 flat angles P-C4'-P energy: -107.387 tors. eta vs tors. theta energy: -179.486 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: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2029.585091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.585091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.585091 (E_RNA) where: Base-Base interactions energy: -1251.686 where: short stacking energy: -574.791 Base-Backbone interact. energy: -1.610 local terms energy: -776.289595 where: bonds (distance) C4'-P energy: -170.363 bonds (distance) P-C4' energy: -153.155 flat angles C4'-P-C4' energy: -190.243 flat angles P-C4'-P energy: -120.132 tors. eta vs tors. theta energy: -142.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1631.436857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.436857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.436857 (E_RNA) where: Base-Base interactions energy: -966.374 where: short stacking energy: -477.610 Base-Backbone interact. energy: 1.874 local terms energy: -666.937098 where: bonds (distance) C4'-P energy: -167.737 bonds (distance) P-C4' energy: -166.677 flat angles C4'-P-C4' energy: -132.658 flat angles P-C4'-P energy: -110.775 tors. eta vs tors. theta energy: -89.090 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: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1561.551883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.551883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.551883 (E_RNA) where: Base-Base interactions energy: -927.128 where: short stacking energy: -471.152 Base-Backbone interact. energy: 1.399 local terms energy: -635.822693 where: bonds (distance) C4'-P energy: -156.498 bonds (distance) P-C4' energy: -148.372 flat angles C4'-P-C4' energy: -140.825 flat angles P-C4'-P energy: -97.685 tors. eta vs tors. theta energy: -92.442 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: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1080.125276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.125276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.125276 (E_RNA) where: Base-Base interactions energy: -556.281 where: short stacking energy: -324.000 Base-Backbone interact. energy: 7.733 local terms energy: -531.577199 where: bonds (distance) C4'-P energy: -124.887 bonds (distance) P-C4' energy: -152.300 flat angles C4'-P-C4' energy: -142.843 flat angles P-C4'-P energy: -91.799 tors. eta vs tors. theta energy: -19.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -795.786505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.786505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.786505 (E_RNA) where: Base-Base interactions energy: -317.820 where: short stacking energy: -219.125 Base-Backbone interact. energy: 5.211 local terms energy: -483.177370 where: bonds (distance) C4'-P energy: -140.934 bonds (distance) P-C4' energy: -160.098 flat angles C4'-P-C4' energy: -121.653 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: 16.881 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3087.372905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.372905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.372905 (E_RNA) where: Base-Base interactions energy: -2096.514 where: short stacking energy: -950.034 Base-Backbone interact. energy: -1.564 local terms energy: -989.294321 where: bonds (distance) C4'-P energy: -172.149 bonds (distance) P-C4' energy: -190.129 flat angles C4'-P-C4' energy: -210.855 flat angles P-C4'-P energy: -139.922 tors. eta vs tors. theta energy: -276.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2949.120208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.120208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.120208 (E_RNA) where: Base-Base interactions energy: -1982.615 where: short stacking energy: -881.925 Base-Backbone interact. energy: -6.500 local terms energy: -960.005204 where: bonds (distance) C4'-P energy: -187.278 bonds (distance) P-C4' energy: -174.645 flat angles C4'-P-C4' energy: -214.054 flat angles P-C4'-P energy: -127.582 tors. eta vs tors. theta energy: -256.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2764.812155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.812155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.812155 (E_RNA) where: Base-Base interactions energy: -1872.873 where: short stacking energy: -830.172 Base-Backbone interact. energy: -3.881 local terms energy: -888.058134 where: bonds (distance) C4'-P energy: -171.062 bonds (distance) P-C4' energy: -174.323 flat angles C4'-P-C4' energy: -189.149 flat angles P-C4'-P energy: -125.614 tors. eta vs tors. theta energy: -227.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2600.908517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.908517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.908517 (E_RNA) where: Base-Base interactions energy: -1744.184 where: short stacking energy: -784.034 Base-Backbone interact. energy: -0.542 local terms energy: -856.182923 where: bonds (distance) C4'-P energy: -151.840 bonds (distance) P-C4' energy: -170.914 flat angles C4'-P-C4' energy: -197.024 flat angles P-C4'-P energy: -124.596 tors. eta vs tors. theta energy: -211.809 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: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2389.049587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.049587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.049587 (E_RNA) where: Base-Base interactions energy: -1580.455 where: short stacking energy: -717.062 Base-Backbone interact. energy: -1.784 local terms energy: -806.810670 where: bonds (distance) C4'-P energy: -159.391 bonds (distance) P-C4' energy: -174.007 flat angles C4'-P-C4' energy: -172.624 flat angles P-C4'-P energy: -111.539 tors. eta vs tors. theta energy: -189.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2101.862053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.862053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.862053 (E_RNA) where: Base-Base interactions energy: -1344.896 where: short stacking energy: -656.162 Base-Backbone interact. energy: -1.027 local terms energy: -755.938868 where: bonds (distance) C4'-P energy: -157.059 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -175.488 flat angles P-C4'-P energy: -111.771 tors. eta vs tors. theta energy: -167.390 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: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1620.795153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.795153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.795153 (E_RNA) where: Base-Base interactions energy: -958.707 where: short stacking energy: -450.086 Base-Backbone interact. energy: -0.540 local terms energy: -661.548034 where: bonds (distance) C4'-P energy: -149.965 bonds (distance) P-C4' energy: -166.549 flat angles C4'-P-C4' energy: -162.766 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -83.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1615.912027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.912027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.912027 (E_RNA) where: Base-Base interactions energy: -972.248 where: short stacking energy: -496.640 Base-Backbone interact. energy: -1.984 local terms energy: -641.679649 where: bonds (distance) C4'-P energy: -156.680 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -79.294 tors. eta vs tors. theta energy: -102.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1114.942165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.942165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.942165 (E_RNA) where: Base-Base interactions energy: -581.158 where: short stacking energy: -309.276 Base-Backbone interact. energy: 1.705 local terms energy: -535.488617 where: bonds (distance) C4'-P energy: -147.431 bonds (distance) P-C4' energy: -157.510 flat angles C4'-P-C4' energy: -132.497 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -28.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -837.775842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.775842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.775842 (E_RNA) where: Base-Base interactions energy: -395.309 where: short stacking energy: -272.283 Base-Backbone interact. energy: 6.214 local terms energy: -448.680906 where: bonds (distance) C4'-P energy: -135.595 bonds (distance) P-C4' energy: -155.551 flat angles C4'-P-C4' energy: -115.052 flat angles P-C4'-P energy: -61.176 tors. eta vs tors. theta energy: 18.693 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: 150 Temperature: 0.900000 Total energy: -3094.636698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.636698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.636698 (E_RNA) where: Base-Base interactions energy: -2064.557 where: short stacking energy: -979.333 Base-Backbone interact. energy: -3.836 local terms energy: -1026.243225 where: bonds (distance) C4'-P energy: -173.289 bonds (distance) P-C4' energy: -190.441 flat angles C4'-P-C4' energy: -222.154 flat angles P-C4'-P energy: -150.888 tors. eta vs tors. theta energy: -289.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2932.524472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.524472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.524472 (E_RNA) where: Base-Base interactions energy: -1949.691 where: short stacking energy: -872.896 Base-Backbone interact. energy: -4.639 local terms energy: -978.195331 where: bonds (distance) C4'-P energy: -192.536 bonds (distance) P-C4' energy: -176.621 flat angles C4'-P-C4' energy: -203.968 flat angles P-C4'-P energy: -144.893 tors. eta vs tors. theta energy: -260.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2759.864066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.864066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.864066 (E_RNA) where: Base-Base interactions energy: -1876.790 where: short stacking energy: -855.494 Base-Backbone interact. energy: -1.025 local terms energy: -882.048938 where: bonds (distance) C4'-P energy: -172.805 bonds (distance) P-C4' energy: -167.853 flat angles C4'-P-C4' energy: -188.827 flat angles P-C4'-P energy: -123.290 tors. eta vs tors. theta energy: -229.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2659.862428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.862428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.862428 (E_RNA) where: Base-Base interactions energy: -1768.831 where: short stacking energy: -828.131 Base-Backbone interact. energy: -1.076 local terms energy: -889.955291 where: bonds (distance) C4'-P energy: -174.645 bonds (distance) P-C4' energy: -178.497 flat angles C4'-P-C4' energy: -197.055 flat angles P-C4'-P energy: -118.911 tors. eta vs tors. theta energy: -220.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2368.513813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.513813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.513813 (E_RNA) where: Base-Base interactions energy: -1557.175 where: short stacking energy: -737.948 Base-Backbone interact. energy: -0.871 local terms energy: -810.467782 where: bonds (distance) C4'-P energy: -149.195 bonds (distance) P-C4' energy: -155.507 flat angles C4'-P-C4' energy: -176.879 flat angles P-C4'-P energy: -133.252 tors. eta vs tors. theta energy: -195.634 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: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2116.761762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.761762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.761762 (E_RNA) where: Base-Base interactions energy: -1360.019 where: short stacking energy: -658.315 Base-Backbone interact. energy: -4.605 local terms energy: -752.138253 where: bonds (distance) C4'-P energy: -144.380 bonds (distance) P-C4' energy: -153.486 flat angles C4'-P-C4' energy: -167.598 flat angles P-C4'-P energy: -120.354 tors. eta vs tors. theta energy: -166.321 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: 150 Temperature: 1.200000 Total energy: -1710.210312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.210312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.210312 (E_RNA) where: Base-Base interactions energy: -1038.986 where: short stacking energy: -500.619 Base-Backbone interact. energy: 3.505 local terms energy: -674.728921 where: bonds (distance) C4'-P energy: -153.517 bonds (distance) P-C4' energy: -168.191 flat angles C4'-P-C4' energy: -164.293 flat angles P-C4'-P energy: -110.852 tors. eta vs tors. theta energy: -77.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1478.587332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.587332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.587332 (E_RNA) where: Base-Base interactions energy: -889.060 where: short stacking energy: -420.106 Base-Backbone interact. energy: 5.561 local terms energy: -595.088425 where: bonds (distance) C4'-P energy: -159.216 bonds (distance) P-C4' energy: -172.883 flat angles C4'-P-C4' energy: -148.901 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -52.659 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: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1160.355800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.355800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.355800 (E_RNA) where: Base-Base interactions energy: -638.262 where: short stacking energy: -359.888 Base-Backbone interact. energy: 7.799 local terms energy: -529.892892 where: bonds (distance) C4'-P energy: -151.760 bonds (distance) P-C4' energy: -160.341 flat angles C4'-P-C4' energy: -117.594 flat angles P-C4'-P energy: -74.751 tors. eta vs tors. theta energy: -25.447 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: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -967.439294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.439294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.439294 (E_RNA) where: Base-Base interactions energy: -458.870 where: short stacking energy: -279.668 Base-Backbone interact. energy: 1.799 local terms energy: -510.368117 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -144.771 flat angles C4'-P-C4' energy: -110.188 flat angles P-C4'-P energy: -94.110 tors. eta vs tors. theta energy: -17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3152.526019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.526019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.526019 (E_RNA) where: Base-Base interactions energy: -2130.224 where: short stacking energy: -976.952 Base-Backbone interact. energy: 0.818 local terms energy: -1023.120116 where: bonds (distance) C4'-P energy: -183.565 bonds (distance) P-C4' energy: -195.531 flat angles C4'-P-C4' energy: -215.376 flat angles P-C4'-P energy: -142.121 tors. eta vs tors. theta energy: -286.528 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: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2921.500054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.500054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.500054 (E_RNA) where: Base-Base interactions energy: -1959.013 where: short stacking energy: -879.415 Base-Backbone interact. energy: -4.377 local terms energy: -958.110430 where: bonds (distance) C4'-P energy: -187.674 bonds (distance) P-C4' energy: -173.175 flat angles C4'-P-C4' energy: -203.597 flat angles P-C4'-P energy: -123.997 tors. eta vs tors. theta energy: -269.668 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: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2769.238843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.238843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.238843 (E_RNA) where: Base-Base interactions energy: -1878.741 where: short stacking energy: -832.496 Base-Backbone interact. energy: -2.666 local terms energy: -887.831688 where: bonds (distance) C4'-P energy: -158.884 bonds (distance) P-C4' energy: -167.084 flat angles C4'-P-C4' energy: -200.083 flat angles P-C4'-P energy: -138.727 tors. eta vs tors. theta energy: -223.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2697.320152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.320152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.320152 (E_RNA) where: Base-Base interactions energy: -1796.221 where: short stacking energy: -838.197 Base-Backbone interact. energy: -0.096 local terms energy: -901.002396 where: bonds (distance) C4'-P energy: -160.524 bonds (distance) P-C4' energy: -187.943 flat angles C4'-P-C4' energy: -181.360 flat angles P-C4'-P energy: -131.722 tors. eta vs tors. theta energy: -239.453 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: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2409.642422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.642422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.642422 (E_RNA) where: Base-Base interactions energy: -1580.990 where: short stacking energy: -742.969 Base-Backbone interact. energy: 0.347 local terms energy: -829.000101 where: bonds (distance) C4'-P energy: -158.644 bonds (distance) P-C4' energy: -164.921 flat angles C4'-P-C4' energy: -167.076 flat angles P-C4'-P energy: -135.704 tors. eta vs tors. theta energy: -202.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2139.461568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.461568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.461568 (E_RNA) where: Base-Base interactions energy: -1359.015 where: short stacking energy: -647.271 Base-Backbone interact. energy: -1.412 local terms energy: -779.034436 where: bonds (distance) C4'-P energy: -159.069 bonds (distance) P-C4' energy: -157.778 flat angles C4'-P-C4' energy: -175.738 flat angles P-C4'-P energy: -124.582 tors. eta vs tors. theta energy: -161.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1751.679795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.679795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.679795 (E_RNA) where: Base-Base interactions energy: -1050.372 where: short stacking energy: -541.335 Base-Backbone interact. energy: 1.778 local terms energy: -703.086209 where: bonds (distance) C4'-P energy: -181.481 bonds (distance) P-C4' energy: -152.336 flat angles C4'-P-C4' energy: -169.301 flat angles P-C4'-P energy: -88.974 tors. eta vs tors. theta energy: -110.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1483.234519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.234519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.234519 (E_RNA) where: Base-Base interactions energy: -858.817 where: short stacking energy: -436.401 Base-Backbone interact. energy: -5.519 local terms energy: -618.898594 where: bonds (distance) C4'-P energy: -127.667 bonds (distance) P-C4' energy: -170.267 flat angles C4'-P-C4' energy: -157.218 flat angles P-C4'-P energy: -96.152 tors. eta vs tors. theta energy: -67.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1093.150086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.150086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.150086 (E_RNA) where: Base-Base interactions energy: -557.599 where: short stacking energy: -311.231 Base-Backbone interact. energy: 5.562 local terms energy: -541.112648 where: bonds (distance) C4'-P energy: -167.857 bonds (distance) P-C4' energy: -155.590 flat angles C4'-P-C4' energy: -133.620 flat angles P-C4'-P energy: -78.159 tors. eta vs tors. theta energy: -5.888 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -856.196923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.196923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.196923 (E_RNA) where: Base-Base interactions energy: -394.327 where: short stacking energy: -259.283 Base-Backbone interact. energy: 8.211 local terms energy: -470.081270 where: bonds (distance) C4'-P energy: -147.516 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -128.835 flat angles P-C4'-P energy: -84.316 tors. eta vs tors. theta energy: 26.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3117.125541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.125541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.125541 (E_RNA) where: Base-Base interactions energy: -2091.062 where: short stacking energy: -972.726 Base-Backbone interact. energy: -1.594 local terms energy: -1024.469127 where: bonds (distance) C4'-P energy: -193.979 bonds (distance) P-C4' energy: -186.837 flat angles C4'-P-C4' energy: -208.446 flat angles P-C4'-P energy: -149.307 tors. eta vs tors. theta energy: -285.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2898.954088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.954088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.954088 (E_RNA) where: Base-Base interactions energy: -1952.044 where: short stacking energy: -879.467 Base-Backbone interact. energy: -6.172 local terms energy: -940.738040 where: bonds (distance) C4'-P energy: -183.437 bonds (distance) P-C4' energy: -178.781 flat angles C4'-P-C4' energy: -190.486 flat angles P-C4'-P energy: -122.021 tors. eta vs tors. theta energy: -266.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2766.812927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.812927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.812927 (E_RNA) where: Base-Base interactions energy: -1871.369 where: short stacking energy: -838.516 Base-Backbone interact. energy: 1.105 local terms energy: -896.548957 where: bonds (distance) C4'-P energy: -167.017 bonds (distance) P-C4' energy: -175.649 flat angles C4'-P-C4' energy: -183.327 flat angles P-C4'-P energy: -128.117 tors. eta vs tors. theta energy: -242.439 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: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2665.300787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.300787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.300787 (E_RNA) where: Base-Base interactions energy: -1783.144 where: short stacking energy: -812.229 Base-Backbone interact. energy: -2.557 local terms energy: -879.599095 where: bonds (distance) C4'-P energy: -164.852 bonds (distance) P-C4' energy: -153.045 flat angles C4'-P-C4' energy: -208.075 flat angles P-C4'-P energy: -120.973 tors. eta vs tors. theta energy: -232.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2440.975164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.975164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.975164 (E_RNA) where: Base-Base interactions energy: -1575.932 where: short stacking energy: -769.688 Base-Backbone interact. energy: 2.676 local terms energy: -867.718908 where: bonds (distance) C4'-P energy: -180.416 bonds (distance) P-C4' energy: -163.485 flat angles C4'-P-C4' energy: -193.247 flat angles P-C4'-P energy: -115.443 tors. eta vs tors. theta energy: -215.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2025.454748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.454748 (E_RNA) where: Base-Base interactions energy: -1249.542 where: short stacking energy: -607.622 Base-Backbone interact. energy: -2.888 local terms energy: -773.025037 where: bonds (distance) C4'-P energy: -153.250 bonds (distance) P-C4' energy: -179.308 flat angles C4'-P-C4' energy: -172.969 flat angles P-C4'-P energy: -119.962 tors. eta vs tors. theta energy: -147.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1794.758420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.758420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.758420 (E_RNA) where: Base-Base interactions energy: -1092.126 where: short stacking energy: -559.439 Base-Backbone interact. energy: 2.310 local terms energy: -704.943056 where: bonds (distance) C4'-P energy: -160.732 bonds (distance) P-C4' energy: -161.272 flat angles C4'-P-C4' energy: -169.093 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: -130.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1383.142401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.142401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.142401 (E_RNA) where: Base-Base interactions energy: -814.334 where: short stacking energy: -404.731 Base-Backbone interact. energy: 3.958 local terms energy: -572.766427 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -149.095 flat angles C4'-P-C4' energy: -134.443 flat angles P-C4'-P energy: -92.199 tors. eta vs tors. theta energy: -60.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1136.175074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.175074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.175074 (E_RNA) where: Base-Base interactions energy: -609.177 where: short stacking energy: -340.209 Base-Backbone interact. energy: 3.061 local terms energy: -530.058923 where: bonds (distance) C4'-P energy: -157.324 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -128.240 flat angles P-C4'-P energy: -62.728 tors. eta vs tors. theta energy: -39.313 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: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -924.334236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.334236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.334236 (E_RNA) where: Base-Base interactions energy: -421.685 where: short stacking energy: -259.868 Base-Backbone interact. energy: -0.711 local terms energy: -501.938110 where: bonds (distance) C4'-P energy: -150.859 bonds (distance) P-C4' energy: -146.669 flat angles C4'-P-C4' energy: -123.783 flat angles P-C4'-P energy: -74.145 tors. eta vs tors. theta energy: -6.482 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: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3110.139459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.139459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.139459 (E_RNA) where: Base-Base interactions energy: -2102.468 where: short stacking energy: -978.217 Base-Backbone interact. energy: -4.462 local terms energy: -1003.209640 where: bonds (distance) C4'-P energy: -177.552 bonds (distance) P-C4' energy: -193.023 flat angles C4'-P-C4' energy: -204.321 flat angles P-C4'-P energy: -146.182 tors. eta vs tors. theta energy: -282.133 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: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2942.132741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.132741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.132741 (E_RNA) where: Base-Base interactions energy: -1993.656 where: short stacking energy: -903.790 Base-Backbone interact. energy: -0.882 local terms energy: -947.594998 where: bonds (distance) C4'-P energy: -174.530 bonds (distance) P-C4' energy: -174.914 flat angles C4'-P-C4' energy: -201.700 flat angles P-C4'-P energy: -132.805 tors. eta vs tors. theta energy: -263.646 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: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2753.939850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.939850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.939850 (E_RNA) where: Base-Base interactions energy: -1868.122 where: short stacking energy: -853.019 Base-Backbone interact. energy: -2.928 local terms energy: -882.889640 where: bonds (distance) C4'-P energy: -165.066 bonds (distance) P-C4' energy: -181.571 flat angles C4'-P-C4' energy: -193.960 flat angles P-C4'-P energy: -113.100 tors. eta vs tors. theta energy: -229.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2713.210205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.210205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.210205 (E_RNA) where: Base-Base interactions energy: -1799.910 where: short stacking energy: -839.029 Base-Backbone interact. energy: -1.998 local terms energy: -911.302368 where: bonds (distance) C4'-P energy: -156.166 bonds (distance) P-C4' energy: -179.371 flat angles C4'-P-C4' energy: -198.260 flat angles P-C4'-P energy: -132.301 tors. eta vs tors. theta energy: -245.205 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: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2453.045439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.045439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.045439 (E_RNA) where: Base-Base interactions energy: -1614.240 where: short stacking energy: -782.869 Base-Backbone interact. energy: -3.922 local terms energy: -834.883224 where: bonds (distance) C4'-P energy: -166.982 bonds (distance) P-C4' energy: -162.611 flat angles C4'-P-C4' energy: -188.770 flat angles P-C4'-P energy: -109.800 tors. eta vs tors. theta energy: -206.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2078.394235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.394235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.394235 (E_RNA) where: Base-Base interactions energy: -1294.011 where: short stacking energy: -623.806 Base-Backbone interact. energy: 5.354 local terms energy: -789.736838 where: bonds (distance) C4'-P energy: -173.113 bonds (distance) P-C4' energy: -179.548 flat angles C4'-P-C4' energy: -183.206 flat angles P-C4'-P energy: -106.645 tors. eta vs tors. theta energy: -147.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1768.205064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.205064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.205064 (E_RNA) where: Base-Base interactions energy: -1101.389 where: short stacking energy: -561.560 Base-Backbone interact. energy: -0.221 local terms energy: -666.595363 where: bonds (distance) C4'-P energy: -159.814 bonds (distance) P-C4' energy: -162.994 flat angles C4'-P-C4' energy: -136.271 flat angles P-C4'-P energy: -109.196 tors. eta vs tors. theta energy: -98.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1275.529964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.529964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.529964 (E_RNA) where: Base-Base interactions energy: -679.533 where: short stacking energy: -362.419 Base-Backbone interact. energy: 0.143 local terms energy: -596.140084 where: bonds (distance) C4'-P energy: -153.231 bonds (distance) P-C4' energy: -160.717 flat angles C4'-P-C4' energy: -159.655 flat angles P-C4'-P energy: -80.926 tors. eta vs tors. theta energy: -41.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1155.112527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.112527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.112527 (E_RNA) where: Base-Base interactions energy: -611.005 where: short stacking energy: -324.978 Base-Backbone interact. energy: -3.547 local terms energy: -540.560571 where: bonds (distance) C4'-P energy: -124.169 bonds (distance) P-C4' energy: -159.454 flat angles C4'-P-C4' energy: -142.179 flat angles P-C4'-P energy: -75.447 tors. eta vs tors. theta energy: -39.311 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: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -925.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.916876 (E_RNA) where: Base-Base interactions energy: -461.032 where: short stacking energy: -274.742 Base-Backbone interact. energy: 4.364 local terms energy: -469.249492 where: bonds (distance) C4'-P energy: -118.835 bonds (distance) P-C4' energy: -159.754 flat angles C4'-P-C4' energy: -123.315 flat angles P-C4'-P energy: -73.157 tors. eta vs tors. theta energy: 5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3081.138024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.138024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.138024 (E_RNA) where: Base-Base interactions energy: -2098.124 where: short stacking energy: -958.786 Base-Backbone interact. energy: -1.196 local terms energy: -981.817739 where: bonds (distance) C4'-P energy: -173.846 bonds (distance) P-C4' energy: -174.831 flat angles C4'-P-C4' energy: -207.996 flat angles P-C4'-P energy: -151.255 tors. eta vs tors. theta energy: -273.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2893.251304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.251304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.251304 (E_RNA) where: Base-Base interactions energy: -1924.367 where: short stacking energy: -868.603 Base-Backbone interact. energy: -6.290 local terms energy: -962.594152 where: bonds (distance) C4'-P energy: -163.383 bonds (distance) P-C4' energy: -187.327 flat angles C4'-P-C4' energy: -210.557 flat angles P-C4'-P energy: -138.207 tors. eta vs tors. theta energy: -263.120 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: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2811.600339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.600339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.600339 (E_RNA) where: Base-Base interactions energy: -1918.429 where: short stacking energy: -859.732 Base-Backbone interact. energy: -1.447 local terms energy: -891.723888 where: bonds (distance) C4'-P energy: -171.952 bonds (distance) P-C4' energy: -161.847 flat angles C4'-P-C4' energy: -189.601 flat angles P-C4'-P energy: -125.274 tors. eta vs tors. theta energy: -243.050 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: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2702.069104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.069104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.069104 (E_RNA) where: Base-Base interactions energy: -1846.202 where: short stacking energy: -849.516 Base-Backbone interact. energy: -4.094 local terms energy: -851.772888 where: bonds (distance) C4'-P energy: -155.763 bonds (distance) P-C4' energy: -153.859 flat angles C4'-P-C4' energy: -185.256 flat angles P-C4'-P energy: -117.052 tors. eta vs tors. theta energy: -239.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2429.253951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.253951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.253951 (E_RNA) where: Base-Base interactions energy: -1570.618 where: short stacking energy: -729.301 Base-Backbone interact. energy: -0.702 local terms energy: -857.934151 where: bonds (distance) C4'-P energy: -168.649 bonds (distance) P-C4' energy: -164.887 flat angles C4'-P-C4' energy: -193.020 flat angles P-C4'-P energy: -121.771 tors. eta vs tors. theta energy: -209.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2010.498928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.498928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.498928 (E_RNA) where: Base-Base interactions energy: -1279.100 where: short stacking energy: -625.753 Base-Backbone interact. energy: -2.559 local terms energy: -728.840203 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -151.827 flat angles P-C4'-P energy: -113.288 tors. eta vs tors. theta energy: -165.309 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: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1799.334137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.334137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.334137 (E_RNA) where: Base-Base interactions energy: -1125.341 where: short stacking energy: -574.300 Base-Backbone interact. energy: 3.840 local terms energy: -677.833150 where: bonds (distance) C4'-P energy: -154.397 bonds (distance) P-C4' energy: -144.974 flat angles C4'-P-C4' energy: -150.101 flat angles P-C4'-P energy: -90.080 tors. eta vs tors. theta energy: -138.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1268.539348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.539348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.539348 (E_RNA) where: Base-Base interactions energy: -689.542 where: short stacking energy: -358.795 Base-Backbone interact. energy: -4.994 local terms energy: -574.003433 where: bonds (distance) C4'-P energy: -142.478 bonds (distance) P-C4' energy: -148.449 flat angles C4'-P-C4' energy: -136.005 flat angles P-C4'-P energy: -95.476 tors. eta vs tors. theta energy: -51.596 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: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1094.990319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.990319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.990319 (E_RNA) where: Base-Base interactions energy: -573.421 where: short stacking energy: -297.504 Base-Backbone interact. energy: 0.151 local terms energy: -521.720920 where: bonds (distance) C4'-P energy: -142.128 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -123.864 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -33.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -898.704150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.704150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.704150 (E_RNA) where: Base-Base interactions energy: -394.089 where: short stacking energy: -253.165 Base-Backbone interact. energy: 2.937 local terms energy: -507.551631 where: bonds (distance) C4'-P energy: -166.001 bonds (distance) P-C4' energy: -157.758 flat angles C4'-P-C4' energy: -118.917 flat angles P-C4'-P energy: -72.172 tors. eta vs tors. theta energy: 7.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3087.140125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.140125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.140125 (E_RNA) where: Base-Base interactions energy: -2092.646 where: short stacking energy: -943.605 Base-Backbone interact. energy: -6.588 local terms energy: -987.906103 where: bonds (distance) C4'-P energy: -168.401 bonds (distance) P-C4' energy: -186.178 flat angles C4'-P-C4' energy: -214.749 flat angles P-C4'-P energy: -136.204 tors. eta vs tors. theta energy: -282.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2885.998029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.998029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.998029 (E_RNA) where: Base-Base interactions energy: -1945.508 where: short stacking energy: -877.741 Base-Backbone interact. energy: 1.386 local terms energy: -941.875517 where: bonds (distance) C4'-P energy: -153.315 bonds (distance) P-C4' energy: -182.160 flat angles C4'-P-C4' energy: -213.696 flat angles P-C4'-P energy: -133.255 tors. eta vs tors. theta energy: -259.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2763.497338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.497338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.497338 (E_RNA) where: Base-Base interactions energy: -1887.490 where: short stacking energy: -847.071 Base-Backbone interact. energy: -0.251 local terms energy: -875.756000 where: bonds (distance) C4'-P energy: -173.841 bonds (distance) P-C4' energy: -159.056 flat angles C4'-P-C4' energy: -196.230 flat angles P-C4'-P energy: -119.664 tors. eta vs tors. theta energy: -226.965 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: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2691.676602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.676602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.676602 (E_RNA) where: Base-Base interactions energy: -1810.194 where: short stacking energy: -839.505 Base-Backbone interact. energy: -4.065 local terms energy: -877.416900 where: bonds (distance) C4'-P energy: -169.251 bonds (distance) P-C4' energy: -177.094 flat angles C4'-P-C4' energy: -180.639 flat angles P-C4'-P energy: -124.811 tors. eta vs tors. theta energy: -225.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2400.181591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.181591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.181591 (E_RNA) where: Base-Base interactions energy: -1583.259 where: short stacking energy: -726.581 Base-Backbone interact. energy: -2.275 local terms energy: -814.646915 where: bonds (distance) C4'-P energy: -157.450 bonds (distance) P-C4' energy: -161.680 flat angles C4'-P-C4' energy: -178.370 flat angles P-C4'-P energy: -125.128 tors. eta vs tors. theta energy: -192.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2055.993190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.993190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.993190 (E_RNA) where: Base-Base interactions energy: -1309.046 where: short stacking energy: -618.274 Base-Backbone interact. energy: 4.516 local terms energy: -751.463610 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -168.836 flat angles C4'-P-C4' energy: -165.981 flat angles P-C4'-P energy: -100.541 tors. eta vs tors. theta energy: -171.643 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: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1819.750314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.750314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.750314 (E_RNA) where: Base-Base interactions energy: -1114.033 where: short stacking energy: -557.493 Base-Backbone interact. energy: -0.682 local terms energy: -705.036068 where: bonds (distance) C4'-P energy: -144.534 bonds (distance) P-C4' energy: -171.242 flat angles C4'-P-C4' energy: -160.206 flat angles P-C4'-P energy: -94.273 tors. eta vs tors. theta energy: -134.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1250.774457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.774457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.774457 (E_RNA) where: Base-Base interactions energy: -683.957 where: short stacking energy: -362.728 Base-Backbone interact. energy: 0.856 local terms energy: -567.673636 where: bonds (distance) C4'-P energy: -138.858 bonds (distance) P-C4' energy: -161.584 flat angles C4'-P-C4' energy: -161.648 flat angles P-C4'-P energy: -85.354 tors. eta vs tors. theta energy: -20.230 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: 9, replica: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1133.405329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.405329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.405329 (E_RNA) where: Base-Base interactions energy: -612.419 where: short stacking energy: -314.448 Base-Backbone interact. energy: -2.945 local terms energy: -518.041166 where: bonds (distance) C4'-P energy: -153.574 bonds (distance) P-C4' energy: -145.947 flat angles C4'-P-C4' energy: -136.668 flat angles P-C4'-P energy: -83.565 tors. eta vs tors. theta energy: 1.712 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: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -841.729078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.729078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.729078 (E_RNA) where: Base-Base interactions energy: -386.926 where: short stacking energy: -235.350 Base-Backbone interact. energy: 4.310 local terms energy: -459.112562 where: bonds (distance) C4'-P energy: -157.078 bonds (distance) P-C4' energy: -149.282 flat angles C4'-P-C4' energy: -114.134 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: 22.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3133.819110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.819110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.819110 (E_RNA) where: Base-Base interactions energy: -2102.965 where: short stacking energy: -985.363 Base-Backbone interact. energy: -3.282 local terms energy: -1027.572151 where: bonds (distance) C4'-P energy: -183.287 bonds (distance) P-C4' energy: -185.259 flat angles C4'-P-C4' energy: -219.588 flat angles P-C4'-P energy: -151.200 tors. eta vs tors. theta energy: -288.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2894.426596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.426596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.426596 (E_RNA) where: Base-Base interactions energy: -1943.226 where: short stacking energy: -881.278 Base-Backbone interact. energy: -4.819 local terms energy: -946.381594 where: bonds (distance) C4'-P energy: -178.566 bonds (distance) P-C4' energy: -177.463 flat angles C4'-P-C4' energy: -187.673 flat angles P-C4'-P energy: -150.640 tors. eta vs tors. theta energy: -252.039 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: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2759.969042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.969042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.969042 (E_RNA) where: Base-Base interactions energy: -1846.065 where: short stacking energy: -809.510 Base-Backbone interact. energy: 2.623 local terms energy: -916.527756 where: bonds (distance) C4'-P energy: -178.560 bonds (distance) P-C4' energy: -181.181 flat angles C4'-P-C4' energy: -195.990 flat angles P-C4'-P energy: -137.882 tors. eta vs tors. theta energy: -222.915 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: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2684.703784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.703784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.703784 (E_RNA) where: Base-Base interactions energy: -1801.198 where: short stacking energy: -827.348 Base-Backbone interact. energy: -0.786 local terms energy: -882.719879 where: bonds (distance) C4'-P energy: -170.882 bonds (distance) P-C4' energy: -170.777 flat angles C4'-P-C4' energy: -190.990 flat angles P-C4'-P energy: -124.358 tors. eta vs tors. theta energy: -225.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2445.623819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.623819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.623819 (E_RNA) where: Base-Base interactions energy: -1604.635 where: short stacking energy: -752.071 Base-Backbone interact. energy: -5.515 local terms energy: -835.473874 where: bonds (distance) C4'-P energy: -155.381 bonds (distance) P-C4' energy: -174.895 flat angles C4'-P-C4' energy: -172.226 flat angles P-C4'-P energy: -123.449 tors. eta vs tors. theta energy: -209.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2164.575415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.575415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.575415 (E_RNA) where: Base-Base interactions energy: -1405.706 where: short stacking energy: -703.392 Base-Backbone interact. energy: 2.856 local terms energy: -761.725046 where: bonds (distance) C4'-P energy: -145.677 bonds (distance) P-C4' energy: -150.124 flat angles C4'-P-C4' energy: -175.635 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -184.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1837.865410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.865410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.865410 (E_RNA) where: Base-Base interactions energy: -1147.283 where: short stacking energy: -546.995 Base-Backbone interact. energy: 1.978 local terms energy: -692.560257 where: bonds (distance) C4'-P energy: -172.074 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -144.282 flat angles P-C4'-P energy: -98.018 tors. eta vs tors. theta energy: -123.546 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: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1308.681390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.681390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.681390 (E_RNA) where: Base-Base interactions energy: -718.906 where: short stacking energy: -375.354 Base-Backbone interact. energy: -0.788 local terms energy: -588.987034 where: bonds (distance) C4'-P energy: -142.221 bonds (distance) P-C4' energy: -158.195 flat angles C4'-P-C4' energy: -130.966 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -64.564 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: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1184.333216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.333216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.333216 (E_RNA) where: Base-Base interactions energy: -670.961 where: short stacking energy: -368.646 Base-Backbone interact. energy: -0.308 local terms energy: -513.064200 where: bonds (distance) C4'-P energy: -125.552 bonds (distance) P-C4' energy: -160.588 flat angles C4'-P-C4' energy: -126.712 flat angles P-C4'-P energy: -68.204 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: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -845.644349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.644349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.644349 (E_RNA) where: Base-Base interactions energy: -378.343 where: short stacking energy: -225.476 Base-Backbone interact. energy: 1.098 local terms energy: -468.399374 where: bonds (distance) C4'-P energy: -153.890 bonds (distance) P-C4' energy: -142.589 flat angles C4'-P-C4' energy: -111.606 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: 15.551 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: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3120.867001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.867001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.867001 (E_RNA) where: Base-Base interactions energy: -2110.665 where: short stacking energy: -961.322 Base-Backbone interact. energy: -2.788 local terms energy: -1007.414085 where: bonds (distance) C4'-P energy: -176.501 bonds (distance) P-C4' energy: -195.448 flat angles C4'-P-C4' energy: -212.063 flat angles P-C4'-P energy: -147.132 tors. eta vs tors. theta energy: -276.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2934.183908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.183908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.183908 (E_RNA) where: Base-Base interactions energy: -1946.695 where: short stacking energy: -867.721 Base-Backbone interact. energy: -3.849 local terms energy: -983.639994 where: bonds (distance) C4'-P energy: -185.392 bonds (distance) P-C4' energy: -176.172 flat angles C4'-P-C4' energy: -204.151 flat angles P-C4'-P energy: -142.584 tors. eta vs tors. theta energy: -275.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2843.067824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.067824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.067824 (E_RNA) where: Base-Base interactions energy: -1947.208 where: short stacking energy: -884.321 Base-Backbone interact. energy: 0.629 local terms energy: -896.488160 where: bonds (distance) C4'-P energy: -159.031 bonds (distance) P-C4' energy: -168.433 flat angles C4'-P-C4' energy: -201.271 flat angles P-C4'-P energy: -121.703 tors. eta vs tors. theta energy: -246.050 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: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2643.621968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.621968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.621968 (E_RNA) where: Base-Base interactions energy: -1766.253 where: short stacking energy: -804.134 Base-Backbone interact. energy: 0.595 local terms energy: -877.963328 where: bonds (distance) C4'-P energy: -149.122 bonds (distance) P-C4' energy: -191.591 flat angles C4'-P-C4' energy: -189.529 flat angles P-C4'-P energy: -119.090 tors. eta vs tors. theta energy: -228.632 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: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2409.794833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.794833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.794833 (E_RNA) where: Base-Base interactions energy: -1605.467 where: short stacking energy: -767.378 Base-Backbone interact. energy: -2.513 local terms energy: -801.815124 where: bonds (distance) C4'-P energy: -152.305 bonds (distance) P-C4' energy: -171.561 flat angles C4'-P-C4' energy: -172.477 flat angles P-C4'-P energy: -94.863 tors. eta vs tors. theta energy: -210.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2077.423216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.423216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.423216 (E_RNA) where: Base-Base interactions energy: -1348.949 where: short stacking energy: -625.119 Base-Backbone interact. energy: -1.634 local terms energy: -726.840446 where: bonds (distance) C4'-P energy: -142.172 bonds (distance) P-C4' energy: -159.470 flat angles C4'-P-C4' energy: -166.443 flat angles P-C4'-P energy: -105.004 tors. eta vs tors. theta energy: -153.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1843.357453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.357453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.357453 (E_RNA) where: Base-Base interactions energy: -1190.711 where: short stacking energy: -570.866 Base-Backbone interact. energy: 1.423 local terms energy: -654.069026 where: bonds (distance) C4'-P energy: -146.835 bonds (distance) P-C4' energy: -152.533 flat angles C4'-P-C4' energy: -167.936 flat angles P-C4'-P energy: -86.733 tors. eta vs tors. theta energy: -100.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1317.867399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.867399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.867399 (E_RNA) where: Base-Base interactions energy: -736.480 where: short stacking energy: -382.469 Base-Backbone interact. energy: 1.726 local terms energy: -583.112989 where: bonds (distance) C4'-P energy: -157.205 bonds (distance) P-C4' energy: -169.655 flat angles C4'-P-C4' energy: -140.789 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: -32.639 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: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1123.953333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.953333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.953333 (E_RNA) where: Base-Base interactions energy: -584.329 where: short stacking energy: -323.157 Base-Backbone interact. energy: 1.828 local terms energy: -541.451842 where: bonds (distance) C4'-P energy: -131.868 bonds (distance) P-C4' energy: -162.989 flat angles C4'-P-C4' energy: -139.397 flat angles P-C4'-P energy: -68.752 tors. eta vs tors. theta energy: -38.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -802.529537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.529537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.529537 (E_RNA) where: Base-Base interactions energy: -360.502 where: short stacking energy: -235.712 Base-Backbone interact. energy: 6.905 local terms energy: -448.932850 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -152.647 flat angles C4'-P-C4' energy: -117.412 flat angles P-C4'-P energy: -71.846 tors. eta vs tors. theta energy: 33.045 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: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3145.132277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.132277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.132277 (E_RNA) where: Base-Base interactions energy: -2116.874 where: short stacking energy: -989.770 Base-Backbone interact. energy: -4.366 local terms energy: -1023.892433 where: bonds (distance) C4'-P energy: -179.285 bonds (distance) P-C4' energy: -200.223 flat angles C4'-P-C4' energy: -225.389 flat angles P-C4'-P energy: -143.559 tors. eta vs tors. theta energy: -275.436 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: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2936.187568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.187568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.187568 (E_RNA) where: Base-Base interactions energy: -1980.533 where: short stacking energy: -894.998 Base-Backbone interact. energy: -3.555 local terms energy: -952.099445 where: bonds (distance) C4'-P energy: -180.707 bonds (distance) P-C4' energy: -163.995 flat angles C4'-P-C4' energy: -193.928 flat angles P-C4'-P energy: -144.408 tors. eta vs tors. theta energy: -269.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2833.799068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.799068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.799068 (E_RNA) where: Base-Base interactions energy: -1936.601 where: short stacking energy: -854.323 Base-Backbone interact. energy: -2.529 local terms energy: -894.668903 where: bonds (distance) C4'-P energy: -184.555 bonds (distance) P-C4' energy: -159.301 flat angles C4'-P-C4' energy: -192.182 flat angles P-C4'-P energy: -136.414 tors. eta vs tors. theta energy: -222.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2689.881375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.881375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.881375 (E_RNA) where: Base-Base interactions energy: -1818.595 where: short stacking energy: -824.599 Base-Backbone interact. energy: -4.570 local terms energy: -866.716280 where: bonds (distance) C4'-P energy: -145.545 bonds (distance) P-C4' energy: -167.319 flat angles C4'-P-C4' energy: -201.943 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -235.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2430.553978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.553978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.553978 (E_RNA) where: Base-Base interactions energy: -1596.973 where: short stacking energy: -734.432 Base-Backbone interact. energy: -2.438 local terms energy: -831.142996 where: bonds (distance) C4'-P energy: -173.077 bonds (distance) P-C4' energy: -172.479 flat angles C4'-P-C4' energy: -162.583 flat angles P-C4'-P energy: -120.968 tors. eta vs tors. theta energy: -202.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2123.527014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.527014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.527014 (E_RNA) where: Base-Base interactions energy: -1372.006 where: short stacking energy: -669.804 Base-Backbone interact. energy: -3.570 local terms energy: -747.951214 where: bonds (distance) C4'-P energy: -135.805 bonds (distance) P-C4' energy: -176.362 flat angles C4'-P-C4' energy: -166.948 flat angles P-C4'-P energy: -101.579 tors. eta vs tors. theta energy: -167.258 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: 158 Temperature: 1.200000 Total energy: -1715.618829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.618829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.618829 (E_RNA) where: Base-Base interactions energy: -1057.217 where: short stacking energy: -507.609 Base-Backbone interact. energy: -6.081 local terms energy: -652.321386 where: bonds (distance) C4'-P energy: -161.824 bonds (distance) P-C4' energy: -141.982 flat angles C4'-P-C4' energy: -147.883 flat angles P-C4'-P energy: -86.566 tors. eta vs tors. theta energy: -114.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1400.852531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.852531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.852531 (E_RNA) where: Base-Base interactions energy: -790.866 where: short stacking energy: -420.913 Base-Backbone interact. energy: -3.614 local terms energy: -606.372882 where: bonds (distance) C4'-P energy: -168.956 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -99.562 tors. eta vs tors. theta energy: -45.949 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: 158 Temperature: 1.300000 Total energy: -1105.022721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.022721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.022721 (E_RNA) where: Base-Base interactions energy: -530.720 where: short stacking energy: -299.901 Base-Backbone interact. energy: -1.767 local terms energy: -572.535485 where: bonds (distance) C4'-P energy: -160.101 bonds (distance) P-C4' energy: -130.433 flat angles C4'-P-C4' energy: -159.926 flat angles P-C4'-P energy: -115.439 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -879.340414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.340414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.340414 (E_RNA) where: Base-Base interactions energy: -385.946 where: short stacking energy: -238.179 Base-Backbone interact. energy: 4.804 local terms energy: -498.199176 where: bonds (distance) C4'-P energy: -173.329 bonds (distance) P-C4' energy: -139.132 flat angles C4'-P-C4' energy: -138.266 flat angles P-C4'-P energy: -74.252 tors. eta vs tors. theta energy: 26.779 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: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3095.829557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.829557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.829557 (E_RNA) where: Base-Base interactions energy: -2105.055 where: short stacking energy: -953.368 Base-Backbone interact. energy: -5.632 local terms energy: -985.142482 where: bonds (distance) C4'-P energy: -184.628 bonds (distance) P-C4' energy: -179.968 flat angles C4'-P-C4' energy: -206.504 flat angles P-C4'-P energy: -143.819 tors. eta vs tors. theta energy: -270.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2919.243923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.243923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.243923 (E_RNA) where: Base-Base interactions energy: -1968.378 where: short stacking energy: -893.113 Base-Backbone interact. energy: -4.610 local terms energy: -946.255467 where: bonds (distance) C4'-P energy: -181.898 bonds (distance) P-C4' energy: -169.296 flat angles C4'-P-C4' energy: -192.242 flat angles P-C4'-P energy: -132.146 tors. eta vs tors. theta energy: -270.673 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: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2811.767810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.767810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.767810 (E_RNA) where: Base-Base interactions energy: -1905.971 where: short stacking energy: -795.850 Base-Backbone interact. energy: -4.077 local terms energy: -901.719515 where: bonds (distance) C4'-P energy: -192.190 bonds (distance) P-C4' energy: -178.588 flat angles C4'-P-C4' energy: -195.501 flat angles P-C4'-P energy: -112.431 tors. eta vs tors. theta energy: -223.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2678.222691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.222691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.222691 (E_RNA) where: Base-Base interactions energy: -1803.956 where: short stacking energy: -821.864 Base-Backbone interact. energy: -4.416 local terms energy: -869.850870 where: bonds (distance) C4'-P energy: -170.026 bonds (distance) P-C4' energy: -160.831 flat angles C4'-P-C4' energy: -200.267 flat angles P-C4'-P energy: -105.690 tors. eta vs tors. theta energy: -233.037 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: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2415.639929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.639929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.639929 (E_RNA) where: Base-Base interactions energy: -1585.464 where: short stacking energy: -730.429 Base-Backbone interact. energy: 3.791 local terms energy: -833.966561 where: bonds (distance) C4'-P energy: -170.214 bonds (distance) P-C4' energy: -183.422 flat angles C4'-P-C4' energy: -166.215 flat angles P-C4'-P energy: -127.236 tors. eta vs tors. theta energy: -186.880 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: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2174.628875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.628875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.628875 (E_RNA) where: Base-Base interactions energy: -1407.717 where: short stacking energy: -658.925 Base-Backbone interact. energy: 2.690 local terms energy: -769.601705 where: bonds (distance) C4'-P energy: -166.828 bonds (distance) P-C4' energy: -154.270 flat angles C4'-P-C4' energy: -171.573 flat angles P-C4'-P energy: -110.130 tors. eta vs tors. theta energy: -166.802 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: 159 Temperature: 1.200000 Total energy: -1678.855133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.855133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.855133 (E_RNA) where: Base-Base interactions energy: -1035.472 where: short stacking energy: -527.631 Base-Backbone interact. energy: -4.039 local terms energy: -639.343663 where: bonds (distance) C4'-P energy: -148.972 bonds (distance) P-C4' energy: -156.372 flat angles C4'-P-C4' energy: -132.488 flat angles P-C4'-P energy: -90.346 tors. eta vs tors. theta energy: -111.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1455.624267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.624267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.624267 (E_RNA) where: Base-Base interactions energy: -801.325 where: short stacking energy: -396.122 Base-Backbone interact. energy: 2.206 local terms energy: -656.505973 where: bonds (distance) C4'-P energy: -188.064 bonds (distance) P-C4' energy: -145.223 flat angles C4'-P-C4' energy: -169.709 flat angles P-C4'-P energy: -98.013 tors. eta vs tors. theta energy: -55.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1058.430069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.430069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.430069 (E_RNA) where: Base-Base interactions energy: -572.158 where: short stacking energy: -339.205 Base-Backbone interact. energy: -2.969 local terms energy: -483.302781 where: bonds (distance) C4'-P energy: -114.480 bonds (distance) P-C4' energy: -148.680 flat angles C4'-P-C4' energy: -137.102 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: -15.494 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -834.597846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.597846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.597846 (E_RNA) where: Base-Base interactions energy: -367.974 where: short stacking energy: -244.903 Base-Backbone interact. energy: -2.168 local terms energy: -464.456001 where: bonds (distance) C4'-P energy: -144.307 bonds (distance) P-C4' energy: -148.609 flat angles C4'-P-C4' energy: -127.294 flat angles P-C4'-P energy: -57.637 tors. eta vs tors. theta energy: 13.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3099.229191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.229191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.229191 (E_RNA) where: Base-Base interactions energy: -2105.863 where: short stacking energy: -983.594 Base-Backbone interact. energy: 0.298 local terms energy: -993.663599 where: bonds (distance) C4'-P energy: -196.168 bonds (distance) P-C4' energy: -173.741 flat angles C4'-P-C4' energy: -197.053 flat angles P-C4'-P energy: -152.982 tors. eta vs tors. theta energy: -273.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2927.652949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.652949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.652949 (E_RNA) where: Base-Base interactions energy: -1960.511 where: short stacking energy: -910.618 Base-Backbone interact. energy: -1.695 local terms energy: -965.446334 where: bonds (distance) C4'-P energy: -175.095 bonds (distance) P-C4' energy: -177.346 flat angles C4'-P-C4' energy: -208.523 flat angles P-C4'-P energy: -124.779 tors. eta vs tors. theta energy: -279.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2794.684600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.684600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.684600 (E_RNA) where: Base-Base interactions energy: -1917.990 where: short stacking energy: -819.524 Base-Backbone interact. energy: -3.017 local terms energy: -873.677482 where: bonds (distance) C4'-P energy: -161.337 bonds (distance) P-C4' energy: -170.103 flat angles C4'-P-C4' energy: -196.156 flat angles P-C4'-P energy: -135.959 tors. eta vs tors. theta energy: -210.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2699.446680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.446680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.446680 (E_RNA) where: Base-Base interactions energy: -1774.856 where: short stacking energy: -836.070 Base-Backbone interact. energy: -4.081 local terms energy: -920.510454 where: bonds (distance) C4'-P energy: -176.025 bonds (distance) P-C4' energy: -185.996 flat angles C4'-P-C4' energy: -195.030 flat angles P-C4'-P energy: -126.231 tors. eta vs tors. theta energy: -237.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2496.931095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.931095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.931095 (E_RNA) where: Base-Base interactions energy: -1654.916 where: short stacking energy: -770.928 Base-Backbone interact. energy: -4.037 local terms energy: -837.978264 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -155.153 flat angles C4'-P-C4' energy: -186.905 flat angles P-C4'-P energy: -121.145 tors. eta vs tors. theta energy: -218.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2244.370523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.370523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.370523 (E_RNA) where: Base-Base interactions energy: -1479.681 where: short stacking energy: -699.746 Base-Backbone interact. energy: -1.989 local terms energy: -762.700227 where: bonds (distance) C4'-P energy: -132.114 bonds (distance) P-C4' energy: -156.678 flat angles C4'-P-C4' energy: -160.006 flat angles P-C4'-P energy: -126.564 tors. eta vs tors. theta energy: -187.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1678.986635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.986635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.986635 (E_RNA) where: Base-Base interactions energy: -1012.173 where: short stacking energy: -492.097 Base-Backbone interact. energy: -2.731 local terms energy: -664.082756 where: bonds (distance) C4'-P energy: -137.087 bonds (distance) P-C4' energy: -169.140 flat angles C4'-P-C4' energy: -155.215 flat angles P-C4'-P energy: -95.588 tors. eta vs tors. theta energy: -107.052 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1395.954423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.954423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.954423 (E_RNA) where: Base-Base interactions energy: -801.544 where: short stacking energy: -412.825 Base-Backbone interact. energy: -3.780 local terms energy: -590.630910 where: bonds (distance) C4'-P energy: -157.053 bonds (distance) P-C4' energy: -142.704 flat angles C4'-P-C4' energy: -144.916 flat angles P-C4'-P energy: -83.750 tors. eta vs tors. theta energy: -62.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1044.894188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.894188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.894188 (E_RNA) where: Base-Base interactions energy: -542.876 where: short stacking energy: -317.171 Base-Backbone interact. energy: 8.354 local terms energy: -510.372783 where: bonds (distance) C4'-P energy: -138.154 bonds (distance) P-C4' energy: -146.928 flat angles C4'-P-C4' energy: -116.300 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -41.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -786.201054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.201054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.201054 (E_RNA) where: Base-Base interactions energy: -317.901 where: short stacking energy: -197.793 Base-Backbone interact. energy: 7.300 local terms energy: -475.600455 where: bonds (distance) C4'-P energy: -145.248 bonds (distance) P-C4' energy: -147.315 flat angles C4'-P-C4' energy: -130.160 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: 18.068 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: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3080.022159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.022159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.022159 (E_RNA) where: Base-Base interactions energy: -2081.650 where: short stacking energy: -957.859 Base-Backbone interact. energy: -0.316 local terms energy: -998.056327 where: bonds (distance) C4'-P energy: -188.571 bonds (distance) P-C4' energy: -181.454 flat angles C4'-P-C4' energy: -199.204 flat angles P-C4'-P energy: -147.108 tors. eta vs tors. theta energy: -281.719 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: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2897.236734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.236734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.236734 (E_RNA) where: Base-Base interactions energy: -1976.920 where: short stacking energy: -856.067 Base-Backbone interact. energy: -3.381 local terms energy: -916.934972 where: bonds (distance) C4'-P energy: -171.466 bonds (distance) P-C4' energy: -181.218 flat angles C4'-P-C4' energy: -210.962 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -231.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2807.800502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.800502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.800502 (E_RNA) where: Base-Base interactions energy: -1911.966 where: short stacking energy: -882.755 Base-Backbone interact. energy: 1.842 local terms energy: -897.677100 where: bonds (distance) C4'-P energy: -175.056 bonds (distance) P-C4' energy: -161.569 flat angles C4'-P-C4' energy: -185.395 flat angles P-C4'-P energy: -121.950 tors. eta vs tors. theta energy: -253.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2611.264338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.264338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.264338 (E_RNA) where: Base-Base interactions energy: -1724.577 where: short stacking energy: -801.505 Base-Backbone interact. energy: 3.371 local terms energy: -890.058523 where: bonds (distance) C4'-P energy: -188.618 bonds (distance) P-C4' energy: -167.733 flat angles C4'-P-C4' energy: -188.066 flat angles P-C4'-P energy: -123.939 tors. eta vs tors. theta energy: -221.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2533.652378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.652378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.652378 (E_RNA) where: Base-Base interactions energy: -1700.620 where: short stacking energy: -756.043 Base-Backbone interact. energy: 12.066 local terms energy: -845.099060 where: bonds (distance) C4'-P energy: -169.052 bonds (distance) P-C4' energy: -163.548 flat angles C4'-P-C4' energy: -193.513 flat angles P-C4'-P energy: -119.642 tors. eta vs tors. theta energy: -199.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2208.164110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.164110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.164110 (E_RNA) where: Base-Base interactions energy: -1465.693 where: short stacking energy: -685.624 Base-Backbone interact. energy: 0.920 local terms energy: -743.390552 where: bonds (distance) C4'-P energy: -147.176 bonds (distance) P-C4' energy: -163.583 flat angles C4'-P-C4' energy: -171.379 flat angles P-C4'-P energy: -97.550 tors. eta vs tors. theta energy: -163.702 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: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1716.344835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.344835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.344835 (E_RNA) where: Base-Base interactions energy: -1050.368 where: short stacking energy: -494.101 Base-Backbone interact. energy: 2.113 local terms energy: -668.089706 where: bonds (distance) C4'-P energy: -143.926 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -159.343 flat angles P-C4'-P energy: -109.606 tors. eta vs tors. theta energy: -85.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1376.574870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.574870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.574870 (E_RNA) where: Base-Base interactions energy: -793.018 where: short stacking energy: -398.677 Base-Backbone interact. energy: -0.949 local terms energy: -582.608638 where: bonds (distance) C4'-P energy: -138.523 bonds (distance) P-C4' energy: -156.851 flat angles C4'-P-C4' energy: -150.339 flat angles P-C4'-P energy: -95.316 tors. eta vs tors. theta energy: -41.579 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: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1127.725123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.725123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.725123 (E_RNA) where: Base-Base interactions energy: -627.379 where: short stacking energy: -333.289 Base-Backbone interact. energy: 1.244 local terms energy: -501.589915 where: bonds (distance) C4'-P energy: -144.451 bonds (distance) P-C4' energy: -170.262 flat angles C4'-P-C4' energy: -105.975 flat angles P-C4'-P energy: -57.223 tors. eta vs tors. theta energy: -23.679 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: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -805.073575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.073575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.073575 (E_RNA) where: Base-Base interactions energy: -321.864 where: short stacking energy: -211.083 Base-Backbone interact. energy: -0.075 local terms energy: -483.134893 where: bonds (distance) C4'-P energy: -142.834 bonds (distance) P-C4' energy: -167.101 flat angles C4'-P-C4' energy: -103.085 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: 32.191 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: 1, replica: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3084.129462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.129462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.129462 (E_RNA) where: Base-Base interactions energy: -2118.731 where: short stacking energy: -937.872 Base-Backbone interact. energy: -1.337 local terms energy: -964.062062 where: bonds (distance) C4'-P energy: -172.842 bonds (distance) P-C4' energy: -171.059 flat angles C4'-P-C4' energy: -212.260 flat angles P-C4'-P energy: -140.524 tors. eta vs tors. theta energy: -267.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2902.257356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.257356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.257356 (E_RNA) where: Base-Base interactions energy: -1971.246 where: short stacking energy: -888.986 Base-Backbone interact. energy: -3.425 local terms energy: -927.585922 where: bonds (distance) C4'-P energy: -169.107 bonds (distance) P-C4' energy: -190.650 flat angles C4'-P-C4' energy: -208.117 flat angles P-C4'-P energy: -117.694 tors. eta vs tors. theta energy: -242.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2776.027198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.027198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.027198 (E_RNA) where: Base-Base interactions energy: -1878.410 where: short stacking energy: -840.440 Base-Backbone interact. energy: -4.671 local terms energy: -892.946114 where: bonds (distance) C4'-P energy: -166.538 bonds (distance) P-C4' energy: -167.348 flat angles C4'-P-C4' energy: -199.781 flat angles P-C4'-P energy: -124.660 tors. eta vs tors. theta energy: -234.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2615.901865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.901865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.901865 (E_RNA) where: Base-Base interactions energy: -1744.730 where: short stacking energy: -814.089 Base-Backbone interact. energy: 0.684 local terms energy: -871.855448 where: bonds (distance) C4'-P energy: -167.785 bonds (distance) P-C4' energy: -185.934 flat angles C4'-P-C4' energy: -181.630 flat angles P-C4'-P energy: -125.050 tors. eta vs tors. theta energy: -211.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2550.460734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.460734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.460734 (E_RNA) where: Base-Base interactions energy: -1717.578 where: short stacking energy: -773.134 Base-Backbone interact. energy: -1.438 local terms energy: -831.444812 where: bonds (distance) C4'-P energy: -171.004 bonds (distance) P-C4' energy: -148.162 flat angles C4'-P-C4' energy: -195.013 flat angles P-C4'-P energy: -99.284 tors. eta vs tors. theta energy: -217.982 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: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2137.466459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.466459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.466459 (E_RNA) where: Base-Base interactions energy: -1378.706 where: short stacking energy: -627.076 Base-Backbone interact. energy: -2.544 local terms energy: -756.215773 where: bonds (distance) C4'-P energy: -173.338 bonds (distance) P-C4' energy: -160.798 flat angles C4'-P-C4' energy: -166.245 flat angles P-C4'-P energy: -109.605 tors. eta vs tors. theta energy: -146.229 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: 162 Temperature: 1.200000 Total energy: -1753.313408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.313408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.313408 (E_RNA) where: Base-Base interactions energy: -1056.801 where: short stacking energy: -533.674 Base-Backbone interact. energy: 1.245 local terms energy: -697.757498 where: bonds (distance) C4'-P energy: -154.299 bonds (distance) P-C4' energy: -161.937 flat angles C4'-P-C4' energy: -139.986 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -130.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1357.619592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.619592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.619592 (E_RNA) where: Base-Base interactions energy: -777.060 where: short stacking energy: -385.381 Base-Backbone interact. energy: 2.568 local terms energy: -583.127875 where: bonds (distance) C4'-P energy: -141.876 bonds (distance) P-C4' energy: -174.653 flat angles C4'-P-C4' energy: -147.712 flat angles P-C4'-P energy: -88.730 tors. eta vs tors. theta energy: -30.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1074.467067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.467067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.467067 (E_RNA) where: Base-Base interactions energy: -533.533 where: short stacking energy: -308.890 Base-Backbone interact. energy: -2.364 local terms energy: -538.569881 where: bonds (distance) C4'-P energy: -157.340 bonds (distance) P-C4' energy: -145.040 flat angles C4'-P-C4' energy: -140.422 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -8.431 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -908.678106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.678106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.678106 (E_RNA) where: Base-Base interactions energy: -420.108 where: short stacking energy: -235.635 Base-Backbone interact. energy: -2.446 local terms energy: -486.124061 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -153.671 flat angles C4'-P-C4' energy: -134.685 flat angles P-C4'-P energy: -81.440 tors. eta vs tors. theta energy: 18.527 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: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3080.989429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.989429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.989429 (E_RNA) where: Base-Base interactions energy: -2093.283 where: short stacking energy: -945.620 Base-Backbone interact. energy: 0.199 local terms energy: -987.904805 where: bonds (distance) C4'-P energy: -174.600 bonds (distance) P-C4' energy: -195.081 flat angles C4'-P-C4' energy: -204.778 flat angles P-C4'-P energy: -143.752 tors. eta vs tors. theta energy: -269.694 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: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2941.443881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.443881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.443881 (E_RNA) where: Base-Base interactions energy: -2008.179 where: short stacking energy: -901.369 Base-Backbone interact. energy: -3.460 local terms energy: -929.805205 where: bonds (distance) C4'-P energy: -185.796 bonds (distance) P-C4' energy: -175.578 flat angles C4'-P-C4' energy: -197.293 flat angles P-C4'-P energy: -132.057 tors. eta vs tors. theta energy: -239.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2829.338657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.338657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.338657 (E_RNA) where: Base-Base interactions energy: -1918.947 where: short stacking energy: -850.685 Base-Backbone interact. energy: -2.918 local terms energy: -907.474484 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -178.938 flat angles C4'-P-C4' energy: -191.656 flat angles P-C4'-P energy: -134.944 tors. eta vs tors. theta energy: -252.266 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: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2679.188433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.188433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.188433 (E_RNA) where: Base-Base interactions energy: -1811.053 where: short stacking energy: -807.583 Base-Backbone interact. energy: -1.049 local terms energy: -867.087132 where: bonds (distance) C4'-P energy: -155.512 bonds (distance) P-C4' energy: -177.488 flat angles C4'-P-C4' energy: -192.215 flat angles P-C4'-P energy: -124.858 tors. eta vs tors. theta energy: -217.015 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: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2528.708823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.708823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.708823 (E_RNA) where: Base-Base interactions energy: -1679.352 where: short stacking energy: -787.042 Base-Backbone interact. energy: 1.061 local terms energy: -850.417743 where: bonds (distance) C4'-P energy: -146.898 bonds (distance) P-C4' energy: -186.727 flat angles C4'-P-C4' energy: -186.384 flat angles P-C4'-P energy: -119.841 tors. eta vs tors. theta energy: -210.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2123.082695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.082695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.082695 (E_RNA) where: Base-Base interactions energy: -1369.866 where: short stacking energy: -640.215 Base-Backbone interact. energy: -2.550 local terms energy: -750.666238 where: bonds (distance) C4'-P energy: -154.293 bonds (distance) P-C4' energy: -162.104 flat angles C4'-P-C4' energy: -169.688 flat angles P-C4'-P energy: -107.782 tors. eta vs tors. theta energy: -156.800 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1771.644435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.644435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.644435 (E_RNA) where: Base-Base interactions energy: -1129.785 where: short stacking energy: -549.088 Base-Backbone interact. energy: -1.225 local terms energy: -640.634510 where: bonds (distance) C4'-P energy: -148.712 bonds (distance) P-C4' energy: -140.454 flat angles C4'-P-C4' energy: -142.355 flat angles P-C4'-P energy: -93.706 tors. eta vs tors. theta energy: -115.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1307.780454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.780454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.780454 (E_RNA) where: Base-Base interactions energy: -733.737 where: short stacking energy: -383.344 Base-Backbone interact. energy: 1.867 local terms energy: -575.910333 where: bonds (distance) C4'-P energy: -135.407 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -150.177 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -35.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1081.926031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.926031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.926031 (E_RNA) where: Base-Base interactions energy: -559.336 where: short stacking energy: -294.953 Base-Backbone interact. energy: -2.659 local terms energy: -519.930764 where: bonds (distance) C4'-P energy: -153.129 bonds (distance) P-C4' energy: -157.329 flat angles C4'-P-C4' energy: -139.014 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: -0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -949.267940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.267940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.267940 (E_RNA) where: Base-Base interactions energy: -458.548 where: short stacking energy: -275.183 Base-Backbone interact. energy: -3.859 local terms energy: -486.861691 where: bonds (distance) C4'-P energy: -148.191 bonds (distance) P-C4' energy: -143.324 flat angles C4'-P-C4' energy: -153.138 flat angles P-C4'-P energy: -57.448 tors. eta vs tors. theta energy: 15.239 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: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3081.607207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.607207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.607207 (E_RNA) where: Base-Base interactions energy: -2081.460 where: short stacking energy: -947.540 Base-Backbone interact. energy: -2.603 local terms energy: -997.544417 where: bonds (distance) C4'-P energy: -182.071 bonds (distance) P-C4' energy: -181.420 flat angles C4'-P-C4' energy: -217.670 flat angles P-C4'-P energy: -145.118 tors. eta vs tors. theta energy: -271.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2894.967864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.967864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.967864 (E_RNA) where: Base-Base interactions energy: -1964.072 where: short stacking energy: -889.654 Base-Backbone interact. energy: -4.801 local terms energy: -926.094508 where: bonds (distance) C4'-P energy: -171.223 bonds (distance) P-C4' energy: -175.031 flat angles C4'-P-C4' energy: -207.603 flat angles P-C4'-P energy: -126.617 tors. eta vs tors. theta energy: -245.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2819.980333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.980333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.980333 (E_RNA) where: Base-Base interactions energy: -1914.315 where: short stacking energy: -883.367 Base-Backbone interact. energy: -0.571 local terms energy: -905.094338 where: bonds (distance) C4'-P energy: -170.503 bonds (distance) P-C4' energy: -164.820 flat angles C4'-P-C4' energy: -199.059 flat angles P-C4'-P energy: -126.015 tors. eta vs tors. theta energy: -244.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2704.031911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.031911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.031911 (E_RNA) where: Base-Base interactions energy: -1802.952 where: short stacking energy: -807.806 Base-Backbone interact. energy: -4.073 local terms energy: -897.006762 where: bonds (distance) C4'-P energy: -180.639 bonds (distance) P-C4' energy: -168.882 flat angles C4'-P-C4' energy: -207.221 flat angles P-C4'-P energy: -118.782 tors. eta vs tors. theta energy: -221.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2565.385247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.385247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.385247 (E_RNA) where: Base-Base interactions energy: -1709.099 where: short stacking energy: -779.415 Base-Backbone interact. energy: -2.080 local terms energy: -854.206869 where: bonds (distance) C4'-P energy: -145.712 bonds (distance) P-C4' energy: -164.589 flat angles C4'-P-C4' energy: -195.767 flat angles P-C4'-P energy: -124.454 tors. eta vs tors. theta energy: -223.685 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: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2130.195573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.195573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.195573 (E_RNA) where: Base-Base interactions energy: -1380.024 where: short stacking energy: -634.614 Base-Backbone interact. energy: -3.939 local terms energy: -746.233146 where: bonds (distance) C4'-P energy: -163.923 bonds (distance) P-C4' energy: -160.571 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -105.996 tors. eta vs tors. theta energy: -155.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1928.693670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.693670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.693670 (E_RNA) where: Base-Base interactions energy: -1227.752 where: short stacking energy: -565.435 Base-Backbone interact. energy: -1.035 local terms energy: -699.905947 where: bonds (distance) C4'-P energy: -156.908 bonds (distance) P-C4' energy: -160.488 flat angles C4'-P-C4' energy: -160.859 flat angles P-C4'-P energy: -99.166 tors. eta vs tors. theta energy: -122.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1365.482757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.482757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.482757 (E_RNA) where: Base-Base interactions energy: -768.304 where: short stacking energy: -431.275 Base-Backbone interact. energy: 5.166 local terms energy: -602.344992 where: bonds (distance) C4'-P energy: -143.557 bonds (distance) P-C4' energy: -142.821 flat angles C4'-P-C4' energy: -159.808 flat angles P-C4'-P energy: -89.221 tors. eta vs tors. theta energy: -66.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1165.793854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.793854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.793854 (E_RNA) where: Base-Base interactions energy: -646.123 where: short stacking energy: -316.076 Base-Backbone interact. energy: 3.322 local terms energy: -522.992654 where: bonds (distance) C4'-P energy: -162.206 bonds (distance) P-C4' energy: -147.224 flat angles C4'-P-C4' energy: -111.439 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -13.789 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: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -932.021842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.021842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.021842 (E_RNA) where: Base-Base interactions energy: -440.721 where: short stacking energy: -280.598 Base-Backbone interact. energy: -3.640 local terms energy: -487.660887 where: bonds (distance) C4'-P energy: -116.693 bonds (distance) P-C4' energy: -148.429 flat angles C4'-P-C4' energy: -148.055 flat angles P-C4'-P energy: -75.264 tors. eta vs tors. theta energy: 0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3051.028905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.028905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.028905 (E_RNA) where: Base-Base interactions energy: -2050.003 where: short stacking energy: -935.804 Base-Backbone interact. energy: 1.453 local terms energy: -1002.478403 where: bonds (distance) C4'-P energy: -193.994 bonds (distance) P-C4' energy: -188.554 flat angles C4'-P-C4' energy: -197.736 flat angles P-C4'-P energy: -146.820 tors. eta vs tors. theta energy: -275.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2898.669414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.669414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.669414 (E_RNA) where: Base-Base interactions energy: -1980.211 where: short stacking energy: -871.399 Base-Backbone interact. energy: -4.790 local terms energy: -913.667882 where: bonds (distance) C4'-P energy: -167.477 bonds (distance) P-C4' energy: -174.453 flat angles C4'-P-C4' energy: -204.803 flat angles P-C4'-P energy: -130.587 tors. eta vs tors. theta energy: -236.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2835.140322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.140322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.140322 (E_RNA) where: Base-Base interactions energy: -1916.984 where: short stacking energy: -870.507 Base-Backbone interact. energy: -1.350 local terms energy: -916.806687 where: bonds (distance) C4'-P energy: -166.834 bonds (distance) P-C4' energy: -177.293 flat angles C4'-P-C4' energy: -187.495 flat angles P-C4'-P energy: -130.474 tors. eta vs tors. theta energy: -254.710 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2717.154791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.154791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.154791 (E_RNA) where: Base-Base interactions energy: -1801.205 where: short stacking energy: -825.033 Base-Backbone interact. energy: -3.058 local terms energy: -912.892053 where: bonds (distance) C4'-P energy: -171.004 bonds (distance) P-C4' energy: -171.749 flat angles C4'-P-C4' energy: -202.774 flat angles P-C4'-P energy: -122.380 tors. eta vs tors. theta energy: -244.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2573.644649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.644649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.644649 (E_RNA) where: Base-Base interactions energy: -1729.948 where: short stacking energy: -764.973 Base-Backbone interact. energy: 1.120 local terms energy: -844.816739 where: bonds (distance) C4'-P energy: -166.919 bonds (distance) P-C4' energy: -177.912 flat angles C4'-P-C4' energy: -185.458 flat angles P-C4'-P energy: -100.341 tors. eta vs tors. theta energy: -214.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2127.546601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.546601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.546601 (E_RNA) where: Base-Base interactions energy: -1416.632 where: short stacking energy: -659.527 Base-Backbone interact. energy: 2.161 local terms energy: -713.075914 where: bonds (distance) C4'-P energy: -126.594 bonds (distance) P-C4' energy: -174.630 flat angles C4'-P-C4' energy: -158.255 flat angles P-C4'-P energy: -101.356 tors. eta vs tors. theta energy: -152.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1933.936914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.936914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.936914 (E_RNA) where: Base-Base interactions energy: -1191.332 where: short stacking energy: -559.355 Base-Backbone interact. energy: -5.208 local terms energy: -737.397610 where: bonds (distance) C4'-P energy: -155.365 bonds (distance) P-C4' energy: -164.658 flat angles C4'-P-C4' energy: -165.805 flat angles P-C4'-P energy: -110.226 tors. eta vs tors. theta energy: -141.344 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: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1293.905183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.905183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.905183 (E_RNA) where: Base-Base interactions energy: -706.621 where: short stacking energy: -390.126 Base-Backbone interact. energy: 0.293 local terms energy: -587.577564 where: bonds (distance) C4'-P energy: -147.017 bonds (distance) P-C4' energy: -174.583 flat angles C4'-P-C4' energy: -150.558 flat angles P-C4'-P energy: -77.548 tors. eta vs tors. theta energy: -37.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1193.496579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.496579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.496579 (E_RNA) where: Base-Base interactions energy: -659.272 where: short stacking energy: -347.738 Base-Backbone interact. energy: 6.804 local terms energy: -541.028053 where: bonds (distance) C4'-P energy: -138.144 bonds (distance) P-C4' energy: -140.801 flat angles C4'-P-C4' energy: -146.703 flat angles P-C4'-P energy: -79.411 tors. eta vs tors. theta energy: -35.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -948.642343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.642343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.642343 (E_RNA) where: Base-Base interactions energy: -469.166 where: short stacking energy: -261.902 Base-Backbone interact. energy: 4.719 local terms energy: -484.194710 where: bonds (distance) C4'-P energy: -128.858 bonds (distance) P-C4' energy: -144.816 flat angles C4'-P-C4' energy: -126.222 flat angles P-C4'-P energy: -76.964 tors. eta vs tors. theta energy: -7.335 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: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3078.455294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.455294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.455294 (E_RNA) where: Base-Base interactions energy: -2075.365 where: short stacking energy: -957.179 Base-Backbone interact. energy: -3.260 local terms energy: -999.830940 where: bonds (distance) C4'-P energy: -188.696 bonds (distance) P-C4' energy: -180.085 flat angles C4'-P-C4' energy: -211.190 flat angles P-C4'-P energy: -137.183 tors. eta vs tors. theta energy: -282.677 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: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2911.290409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.290409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.290409 (E_RNA) where: Base-Base interactions energy: -1975.813 where: short stacking energy: -886.020 Base-Backbone interact. energy: -5.944 local terms energy: -929.533188 where: bonds (distance) C4'-P energy: -170.559 bonds (distance) P-C4' energy: -185.067 flat angles C4'-P-C4' energy: -204.220 flat angles P-C4'-P energy: -128.230 tors. eta vs tors. theta energy: -241.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2822.421142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.421142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.421142 (E_RNA) where: Base-Base interactions energy: -1904.799 where: short stacking energy: -905.198 Base-Backbone interact. energy: -2.913 local terms energy: -914.709649 where: bonds (distance) C4'-P energy: -163.530 bonds (distance) P-C4' energy: -167.477 flat angles C4'-P-C4' energy: -201.593 flat angles P-C4'-P energy: -125.253 tors. eta vs tors. theta energy: -256.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2693.130590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.130590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.130590 (E_RNA) where: Base-Base interactions energy: -1793.182 where: short stacking energy: -814.841 Base-Backbone interact. energy: -1.957 local terms energy: -897.991686 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -171.630 flat angles C4'-P-C4' energy: -190.910 flat angles P-C4'-P energy: -131.662 tors. eta vs tors. theta energy: -246.825 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: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2520.784176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.784176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.784176 (E_RNA) where: Base-Base interactions energy: -1705.477 where: short stacking energy: -760.724 Base-Backbone interact. energy: 4.808 local terms energy: -820.115245 where: bonds (distance) C4'-P energy: -145.971 bonds (distance) P-C4' energy: -168.944 flat angles C4'-P-C4' energy: -183.482 flat angles P-C4'-P energy: -104.969 tors. eta vs tors. theta energy: -216.749 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: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2203.791668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.791668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.791668 (E_RNA) where: Base-Base interactions energy: -1431.038 where: short stacking energy: -647.464 Base-Backbone interact. energy: -0.252 local terms energy: -772.501687 where: bonds (distance) C4'-P energy: -157.425 bonds (distance) P-C4' energy: -172.086 flat angles C4'-P-C4' energy: -159.927 flat angles P-C4'-P energy: -109.885 tors. eta vs tors. theta energy: -173.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1760.295378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.295378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.295378 (E_RNA) where: Base-Base interactions energy: -1083.727 where: short stacking energy: -532.655 Base-Backbone interact. energy: -1.605 local terms energy: -674.963635 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -165.564 flat angles C4'-P-C4' energy: -158.660 flat angles P-C4'-P energy: -108.069 tors. eta vs tors. theta energy: -109.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1239.332259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.332259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.332259 (E_RNA) where: Base-Base interactions energy: -720.153 where: short stacking energy: -376.004 Base-Backbone interact. energy: 7.692 local terms energy: -526.871561 where: bonds (distance) C4'-P energy: -155.092 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -133.932 flat angles P-C4'-P energy: -81.709 tors. eta vs tors. theta energy: -18.517 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: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1095.420337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.420337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.420337 (E_RNA) where: Base-Base interactions energy: -592.482 where: short stacking energy: -298.688 Base-Backbone interact. energy: 3.586 local terms energy: -506.524802 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -152.907 flat angles C4'-P-C4' energy: -142.642 flat angles P-C4'-P energy: -73.001 tors. eta vs tors. theta energy: -8.951 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: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -922.773403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.773403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.773403 (E_RNA) where: Base-Base interactions energy: -392.850 where: short stacking energy: -220.479 Base-Backbone interact. energy: 4.425 local terms energy: -534.347805 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -150.739 flat angles C4'-P-C4' energy: -144.439 flat angles P-C4'-P energy: -108.611 tors. eta vs tors. theta energy: 10.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3090.938930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.938930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.938930 (E_RNA) where: Base-Base interactions energy: -2077.719 where: short stacking energy: -973.983 Base-Backbone interact. energy: 1.116 local terms energy: -1014.335585 where: bonds (distance) C4'-P energy: -183.625 bonds (distance) P-C4' energy: -185.582 flat angles C4'-P-C4' energy: -208.129 flat angles P-C4'-P energy: -150.369 tors. eta vs tors. theta energy: -286.631 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: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2947.770184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.770184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.770184 (E_RNA) where: Base-Base interactions energy: -2005.539 where: short stacking energy: -906.547 Base-Backbone interact. energy: 1.745 local terms energy: -943.975979 where: bonds (distance) C4'-P energy: -182.619 bonds (distance) P-C4' energy: -175.276 flat angles C4'-P-C4' energy: -206.531 flat angles P-C4'-P energy: -123.003 tors. eta vs tors. theta energy: -256.547 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: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2802.586325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.586325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.586325 (E_RNA) where: Base-Base interactions energy: -1899.104 where: short stacking energy: -841.933 Base-Backbone interact. energy: -1.852 local terms energy: -901.630489 where: bonds (distance) C4'-P energy: -175.195 bonds (distance) P-C4' energy: -173.354 flat angles C4'-P-C4' energy: -187.859 flat angles P-C4'-P energy: -137.414 tors. eta vs tors. theta energy: -227.807 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: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2633.094931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.094931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.094931 (E_RNA) where: Base-Base interactions energy: -1767.207 where: short stacking energy: -821.242 Base-Backbone interact. energy: 0.009 local terms energy: -865.896768 where: bonds (distance) C4'-P energy: -162.962 bonds (distance) P-C4' energy: -147.664 flat angles C4'-P-C4' energy: -202.774 flat angles P-C4'-P energy: -118.750 tors. eta vs tors. theta energy: -233.746 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: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2495.120817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.120817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.120817 (E_RNA) where: Base-Base interactions energy: -1660.690 where: short stacking energy: -749.302 Base-Backbone interact. energy: -1.145 local terms energy: -833.285490 where: bonds (distance) C4'-P energy: -178.676 bonds (distance) P-C4' energy: -155.344 flat angles C4'-P-C4' energy: -186.469 flat angles P-C4'-P energy: -109.465 tors. eta vs tors. theta energy: -203.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2239.136526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.136526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.136526 (E_RNA) where: Base-Base interactions energy: -1461.526 where: short stacking energy: -684.742 Base-Backbone interact. energy: -0.141 local terms energy: -777.468721 where: bonds (distance) C4'-P energy: -163.399 bonds (distance) P-C4' energy: -161.795 flat angles C4'-P-C4' energy: -175.405 flat angles P-C4'-P energy: -106.252 tors. eta vs tors. theta energy: -170.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1803.869171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.869171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.869171 (E_RNA) where: Base-Base interactions energy: -1113.242 where: short stacking energy: -516.024 Base-Backbone interact. energy: -3.448 local terms energy: -687.178433 where: bonds (distance) C4'-P energy: -150.385 bonds (distance) P-C4' energy: -155.247 flat angles C4'-P-C4' energy: -168.182 flat angles P-C4'-P energy: -101.668 tors. eta vs tors. theta energy: -111.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1291.094757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.094757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.094757 (E_RNA) where: Base-Base interactions energy: -733.631 where: short stacking energy: -383.046 Base-Backbone interact. energy: -3.874 local terms energy: -553.589623 where: bonds (distance) C4'-P energy: -142.981 bonds (distance) P-C4' energy: -143.144 flat angles C4'-P-C4' energy: -138.898 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -37.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1197.394084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.394084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.394084 (E_RNA) where: Base-Base interactions energy: -653.167 where: short stacking energy: -312.814 Base-Backbone interact. energy: 0.800 local terms energy: -545.026599 where: bonds (distance) C4'-P energy: -151.757 bonds (distance) P-C4' energy: -166.180 flat angles C4'-P-C4' energy: -136.747 flat angles P-C4'-P energy: -83.049 tors. eta vs tors. theta energy: -7.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -900.989755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.989755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.989755 (E_RNA) where: Base-Base interactions energy: -445.757 where: short stacking energy: -275.507 Base-Backbone interact. energy: 6.519 local terms energy: -461.751812 where: bonds (distance) C4'-P energy: -147.640 bonds (distance) P-C4' energy: -136.474 flat angles C4'-P-C4' energy: -126.739 flat angles P-C4'-P energy: -61.763 tors. eta vs tors. theta energy: 10.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3067.221271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.221271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.221271 (E_RNA) where: Base-Base interactions energy: -2067.717 where: short stacking energy: -975.709 Base-Backbone interact. energy: -4.315 local terms energy: -995.189329 where: bonds (distance) C4'-P energy: -177.033 bonds (distance) P-C4' energy: -171.573 flat angles C4'-P-C4' energy: -222.949 flat angles P-C4'-P energy: -151.267 tors. eta vs tors. theta energy: -272.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2884.973540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.973540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.973540 (E_RNA) where: Base-Base interactions energy: -1946.980 where: short stacking energy: -866.745 Base-Backbone interact. energy: -6.939 local terms energy: -931.055133 where: bonds (distance) C4'-P energy: -177.499 bonds (distance) P-C4' energy: -192.937 flat angles C4'-P-C4' energy: -206.432 flat angles P-C4'-P energy: -119.469 tors. eta vs tors. theta energy: -234.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2821.211466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.211466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.211466 (E_RNA) where: Base-Base interactions energy: -1927.495 where: short stacking energy: -852.023 Base-Backbone interact. energy: 1.270 local terms energy: -894.986424 where: bonds (distance) C4'-P energy: -173.702 bonds (distance) P-C4' energy: -163.327 flat angles C4'-P-C4' energy: -188.242 flat angles P-C4'-P energy: -123.101 tors. eta vs tors. theta energy: -246.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2583.662935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.662935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.662935 (E_RNA) where: Base-Base interactions energy: -1695.748 where: short stacking energy: -783.415 Base-Backbone interact. energy: -0.615 local terms energy: -887.299835 where: bonds (distance) C4'-P energy: -170.165 bonds (distance) P-C4' energy: -175.161 flat angles C4'-P-C4' energy: -183.607 flat angles P-C4'-P energy: -131.261 tors. eta vs tors. theta energy: -227.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2402.671840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.671840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.671840 (E_RNA) where: Base-Base interactions energy: -1629.512 where: short stacking energy: -763.701 Base-Backbone interact. energy: 5.413 local terms energy: -778.573062 where: bonds (distance) C4'-P energy: -131.205 bonds (distance) P-C4' energy: -161.157 flat angles C4'-P-C4' energy: -174.164 flat angles P-C4'-P energy: -106.245 tors. eta vs tors. theta energy: -205.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2253.470070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.470070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.470070 (E_RNA) where: Base-Base interactions energy: -1494.261 where: short stacking energy: -710.045 Base-Backbone interact. energy: -3.276 local terms energy: -755.933326 where: bonds (distance) C4'-P energy: -155.184 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -163.452 flat angles P-C4'-P energy: -106.139 tors. eta vs tors. theta energy: -178.385 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: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1800.474019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.474019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.474019 (E_RNA) where: Base-Base interactions energy: -1115.720 where: short stacking energy: -533.678 Base-Backbone interact. energy: 3.690 local terms energy: -688.443694 where: bonds (distance) C4'-P energy: -155.317 bonds (distance) P-C4' energy: -149.295 flat angles C4'-P-C4' energy: -152.144 flat angles P-C4'-P energy: -112.251 tors. eta vs tors. theta energy: -119.437 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: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1306.051638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.051638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.051638 (E_RNA) where: Base-Base interactions energy: -720.934 where: short stacking energy: -380.223 Base-Backbone interact. energy: 6.226 local terms energy: -591.343768 where: bonds (distance) C4'-P energy: -167.130 bonds (distance) P-C4' energy: -153.747 flat angles C4'-P-C4' energy: -143.738 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -40.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1225.066238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.066238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.066238 (E_RNA) where: Base-Base interactions energy: -679.882 where: short stacking energy: -351.456 Base-Backbone interact. energy: 1.938 local terms energy: -547.122080 where: bonds (distance) C4'-P energy: -145.333 bonds (distance) P-C4' energy: -150.676 flat angles C4'-P-C4' energy: -120.790 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -44.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -948.967945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.967945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.967945 (E_RNA) where: Base-Base interactions energy: -467.083 where: short stacking energy: -237.326 Base-Backbone interact. energy: 2.402 local terms energy: -484.287120 where: bonds (distance) C4'-P energy: -149.436 bonds (distance) P-C4' energy: -132.406 flat angles C4'-P-C4' energy: -132.396 flat angles P-C4'-P energy: -72.859 tors. eta vs tors. theta energy: 2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3018.983857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.983857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.983857 (E_RNA) where: Base-Base interactions energy: -2030.262 where: short stacking energy: -937.116 Base-Backbone interact. energy: -5.548 local terms energy: -983.174065 where: bonds (distance) C4'-P energy: -178.532 bonds (distance) P-C4' energy: -180.573 flat angles C4'-P-C4' energy: -203.512 flat angles P-C4'-P energy: -148.212 tors. eta vs tors. theta energy: -272.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2960.340519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.340519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.340519 (E_RNA) where: Base-Base interactions energy: -2028.267 where: short stacking energy: -879.814 Base-Backbone interact. energy: -5.306 local terms energy: -926.767908 where: bonds (distance) C4'-P energy: -183.502 bonds (distance) P-C4' energy: -176.638 flat angles C4'-P-C4' energy: -195.391 flat angles P-C4'-P energy: -134.604 tors. eta vs tors. theta energy: -236.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2799.088798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.088798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.088798 (E_RNA) where: Base-Base interactions energy: -1855.232 where: short stacking energy: -828.263 Base-Backbone interact. energy: 0.122 local terms energy: -943.979702 where: bonds (distance) C4'-P energy: -176.167 bonds (distance) P-C4' energy: -188.447 flat angles C4'-P-C4' energy: -198.061 flat angles P-C4'-P energy: -132.545 tors. eta vs tors. theta energy: -248.760 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: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2594.671794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.671794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.671794 (E_RNA) where: Base-Base interactions energy: -1738.816 where: short stacking energy: -797.743 Base-Backbone interact. energy: -2.859 local terms energy: -852.996214 where: bonds (distance) C4'-P energy: -163.294 bonds (distance) P-C4' energy: -158.842 flat angles C4'-P-C4' energy: -202.004 flat angles P-C4'-P energy: -125.452 tors. eta vs tors. theta energy: -203.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2482.460160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.460160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.460160 (E_RNA) where: Base-Base interactions energy: -1659.414 where: short stacking energy: -734.260 Base-Backbone interact. energy: 1.208 local terms energy: -824.254354 where: bonds (distance) C4'-P energy: -166.046 bonds (distance) P-C4' energy: -158.941 flat angles C4'-P-C4' energy: -197.243 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -204.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2185.567798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.567798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.567798 (E_RNA) where: Base-Base interactions energy: -1432.237 where: short stacking energy: -650.428 Base-Backbone interact. energy: -1.527 local terms energy: -751.803950 where: bonds (distance) C4'-P energy: -144.236 bonds (distance) P-C4' energy: -158.871 flat angles C4'-P-C4' energy: -162.925 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -187.551 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: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1824.214240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.214240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.214240 (E_RNA) where: Base-Base interactions energy: -1134.599 where: short stacking energy: -534.335 Base-Backbone interact. energy: -1.378 local terms energy: -688.237522 where: bonds (distance) C4'-P energy: -155.433 bonds (distance) P-C4' energy: -155.367 flat angles C4'-P-C4' energy: -155.352 flat angles P-C4'-P energy: -94.547 tors. eta vs tors. theta energy: -127.539 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: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1338.822547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.822547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.822547 (E_RNA) where: Base-Base interactions energy: -719.614 where: short stacking energy: -353.389 Base-Backbone interact. energy: 0.141 local terms energy: -619.349430 where: bonds (distance) C4'-P energy: -171.533 bonds (distance) P-C4' energy: -129.898 flat angles C4'-P-C4' energy: -141.932 flat angles P-C4'-P energy: -115.695 tors. eta vs tors. theta energy: -60.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1225.261746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.261746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.261746 (E_RNA) where: Base-Base interactions energy: -664.199 where: short stacking energy: -359.713 Base-Backbone interact. energy: 1.554 local terms energy: -562.617164 where: bonds (distance) C4'-P energy: -129.136 bonds (distance) P-C4' energy: -165.605 flat angles C4'-P-C4' energy: -153.582 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -26.072 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: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -916.961558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.961558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.961558 (E_RNA) where: Base-Base interactions energy: -432.741 where: short stacking energy: -256.943 Base-Backbone interact. energy: -1.835 local terms energy: -482.385500 where: bonds (distance) C4'-P energy: -131.791 bonds (distance) P-C4' energy: -147.184 flat angles C4'-P-C4' energy: -130.466 flat angles P-C4'-P energy: -78.228 tors. eta vs tors. theta energy: 5.283 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: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3081.508508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.508508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.508508 (E_RNA) where: Base-Base interactions energy: -2087.345 where: short stacking energy: -929.204 Base-Backbone interact. energy: -2.412 local terms energy: -991.751525 where: bonds (distance) C4'-P energy: -183.486 bonds (distance) P-C4' energy: -189.429 flat angles C4'-P-C4' energy: -222.753 flat angles P-C4'-P energy: -126.528 tors. eta vs tors. theta energy: -269.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2936.048001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.048001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.048001 (E_RNA) where: Base-Base interactions energy: -1988.503 where: short stacking energy: -906.869 Base-Backbone interact. energy: -5.635 local terms energy: -941.910628 where: bonds (distance) C4'-P energy: -170.332 bonds (distance) P-C4' energy: -181.530 flat angles C4'-P-C4' energy: -202.806 flat angles P-C4'-P energy: -134.776 tors. eta vs tors. theta energy: -252.468 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2807.109930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.109930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.109930 (E_RNA) where: Base-Base interactions energy: -1878.343 where: short stacking energy: -844.626 Base-Backbone interact. energy: 3.393 local terms energy: -932.159374 where: bonds (distance) C4'-P energy: -163.719 bonds (distance) P-C4' energy: -183.484 flat angles C4'-P-C4' energy: -212.053 flat angles P-C4'-P energy: -126.631 tors. eta vs tors. theta energy: -246.272 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: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2634.172225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.172225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.172225 (E_RNA) where: Base-Base interactions energy: -1768.234 where: short stacking energy: -825.269 Base-Backbone interact. energy: -1.302 local terms energy: -864.636918 where: bonds (distance) C4'-P energy: -153.864 bonds (distance) P-C4' energy: -162.997 flat angles C4'-P-C4' energy: -196.993 flat angles P-C4'-P energy: -112.651 tors. eta vs tors. theta energy: -238.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2459.421160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.421160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.421160 (E_RNA) where: Base-Base interactions energy: -1609.607 where: short stacking energy: -720.840 Base-Backbone interact. energy: 0.926 local terms energy: -850.740331 where: bonds (distance) C4'-P energy: -169.801 bonds (distance) P-C4' energy: -173.621 flat angles C4'-P-C4' energy: -185.417 flat angles P-C4'-P energy: -123.469 tors. eta vs tors. theta energy: -198.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2239.949232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.949232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.949232 (E_RNA) where: Base-Base interactions energy: -1433.697 where: short stacking energy: -666.390 Base-Backbone interact. energy: -2.542 local terms energy: -803.710110 where: bonds (distance) C4'-P energy: -154.478 bonds (distance) P-C4' energy: -166.371 flat angles C4'-P-C4' energy: -188.001 flat angles P-C4'-P energy: -119.297 tors. eta vs tors. theta energy: -175.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1793.097504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.097504 (E_RNA) where: Base-Base interactions energy: -1095.637 where: short stacking energy: -545.925 Base-Backbone interact. energy: 0.369 local terms energy: -697.829345 where: bonds (distance) C4'-P energy: -145.460 bonds (distance) P-C4' energy: -145.927 flat angles C4'-P-C4' energy: -161.288 flat angles P-C4'-P energy: -111.284 tors. eta vs tors. theta energy: -133.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1382.662581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.662581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.662581 (E_RNA) where: Base-Base interactions energy: -782.744 where: short stacking energy: -421.068 Base-Backbone interact. energy: 2.523 local terms energy: -602.441498 where: bonds (distance) C4'-P energy: -137.427 bonds (distance) P-C4' energy: -145.823 flat angles C4'-P-C4' energy: -161.784 flat angles P-C4'-P energy: -105.017 tors. eta vs tors. theta energy: -52.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1207.350775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.350775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.350775 (E_RNA) where: Base-Base interactions energy: -652.863 where: short stacking energy: -350.344 Base-Backbone interact. energy: 2.541 local terms energy: -557.028174 where: bonds (distance) C4'-P energy: -142.876 bonds (distance) P-C4' energy: -143.232 flat angles C4'-P-C4' energy: -139.421 flat angles P-C4'-P energy: -87.468 tors. eta vs tors. theta energy: -44.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -990.227560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.227560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.227560 (E_RNA) where: Base-Base interactions energy: -507.915 where: short stacking energy: -282.324 Base-Backbone interact. energy: 0.355 local terms energy: -482.667014 where: bonds (distance) C4'-P energy: -125.772 bonds (distance) P-C4' energy: -126.468 flat angles C4'-P-C4' energy: -140.747 flat angles P-C4'-P energy: -81.070 tors. eta vs tors. theta energy: -8.610 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: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3062.422461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.422461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.422461 (E_RNA) where: Base-Base interactions energy: -2061.318 where: short stacking energy: -961.758 Base-Backbone interact. energy: -5.461 local terms energy: -995.642699 where: bonds (distance) C4'-P energy: -188.538 bonds (distance) P-C4' energy: -180.591 flat angles C4'-P-C4' energy: -215.217 flat angles P-C4'-P energy: -134.784 tors. eta vs tors. theta energy: -276.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2857.988732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.988732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.988732 (E_RNA) where: Base-Base interactions energy: -1919.265 where: short stacking energy: -884.641 Base-Backbone interact. energy: -0.810 local terms energy: -937.913803 where: bonds (distance) C4'-P energy: -164.505 bonds (distance) P-C4' energy: -177.524 flat angles C4'-P-C4' energy: -199.869 flat angles P-C4'-P energy: -144.406 tors. eta vs tors. theta energy: -251.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2833.510974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.510974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.510974 (E_RNA) where: Base-Base interactions energy: -1963.395 where: short stacking energy: -869.154 Base-Backbone interact. energy: -1.757 local terms energy: -868.358578 where: bonds (distance) C4'-P energy: -172.368 bonds (distance) P-C4' energy: -156.870 flat angles C4'-P-C4' energy: -183.875 flat angles P-C4'-P energy: -113.809 tors. eta vs tors. theta energy: -241.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2621.978269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.978269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.978269 (E_RNA) where: Base-Base interactions energy: -1745.133 where: short stacking energy: -829.042 Base-Backbone interact. energy: 0.163 local terms energy: -877.007728 where: bonds (distance) C4'-P energy: -164.624 bonds (distance) P-C4' energy: -150.723 flat angles C4'-P-C4' energy: -203.992 flat angles P-C4'-P energy: -129.516 tors. eta vs tors. theta energy: -228.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2517.399480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.399480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.399480 (E_RNA) where: Base-Base interactions energy: -1700.207 where: short stacking energy: -757.794 Base-Backbone interact. energy: -4.378 local terms energy: -812.815037 where: bonds (distance) C4'-P energy: -163.480 bonds (distance) P-C4' energy: -150.288 flat angles C4'-P-C4' energy: -181.204 flat angles P-C4'-P energy: -109.887 tors. eta vs tors. theta energy: -207.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2272.050654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.050654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.050654 (E_RNA) where: Base-Base interactions energy: -1481.518 where: short stacking energy: -654.859 Base-Backbone interact. energy: -1.669 local terms energy: -788.863696 where: bonds (distance) C4'-P energy: -166.988 bonds (distance) P-C4' energy: -161.813 flat angles C4'-P-C4' energy: -165.069 flat angles P-C4'-P energy: -116.983 tors. eta vs tors. theta energy: -178.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1758.749583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.749583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.749583 (E_RNA) where: Base-Base interactions energy: -1085.433 where: short stacking energy: -518.269 Base-Backbone interact. energy: -2.545 local terms energy: -670.771735 where: bonds (distance) C4'-P energy: -149.105 bonds (distance) P-C4' energy: -163.845 flat angles C4'-P-C4' energy: -161.442 flat angles P-C4'-P energy: -94.304 tors. eta vs tors. theta energy: -102.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1460.098186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.098186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.098186 (E_RNA) where: Base-Base interactions energy: -868.737 where: short stacking energy: -425.240 Base-Backbone interact. energy: -1.137 local terms energy: -590.224174 where: bonds (distance) C4'-P energy: -141.956 bonds (distance) P-C4' energy: -154.389 flat angles C4'-P-C4' energy: -127.127 flat angles P-C4'-P energy: -107.603 tors. eta vs tors. theta energy: -59.149 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: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1225.319456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.319456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.319456 (E_RNA) where: Base-Base interactions energy: -677.805 where: short stacking energy: -351.222 Base-Backbone interact. energy: 3.087 local terms energy: -550.601730 where: bonds (distance) C4'-P energy: -152.605 bonds (distance) P-C4' energy: -161.262 flat angles C4'-P-C4' energy: -136.110 flat angles P-C4'-P energy: -72.885 tors. eta vs tors. theta energy: -27.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -969.158862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.158862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.158862 (E_RNA) where: Base-Base interactions energy: -501.522 where: short stacking energy: -276.537 Base-Backbone interact. energy: 6.285 local terms energy: -473.921842 where: bonds (distance) C4'-P energy: -150.512 bonds (distance) P-C4' energy: -150.697 flat angles C4'-P-C4' energy: -116.950 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: 2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3084.335051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.335051 (E_RNA) where: Base-Base interactions energy: -2074.606 where: short stacking energy: -963.826 Base-Backbone interact. energy: -2.903 local terms energy: -1006.825545 where: bonds (distance) C4'-P energy: -180.780 bonds (distance) P-C4' energy: -183.442 flat angles C4'-P-C4' energy: -216.698 flat angles P-C4'-P energy: -141.828 tors. eta vs tors. theta energy: -284.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2861.588231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.588231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.588231 (E_RNA) where: Base-Base interactions energy: -1905.754 where: short stacking energy: -859.773 Base-Backbone interact. energy: -1.867 local terms energy: -953.967200 where: bonds (distance) C4'-P energy: -181.549 bonds (distance) P-C4' energy: -178.251 flat angles C4'-P-C4' energy: -207.418 flat angles P-C4'-P energy: -148.871 tors. eta vs tors. theta energy: -237.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2754.862912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.862912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.862912 (E_RNA) where: Base-Base interactions energy: -1860.944 where: short stacking energy: -831.602 Base-Backbone interact. energy: -4.884 local terms energy: -889.034652 where: bonds (distance) C4'-P energy: -168.574 bonds (distance) P-C4' energy: -170.061 flat angles C4'-P-C4' energy: -191.078 flat angles P-C4'-P energy: -128.280 tors. eta vs tors. theta energy: -231.042 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: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2641.703472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.703472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.703472 (E_RNA) where: Base-Base interactions energy: -1753.145 where: short stacking energy: -803.788 Base-Backbone interact. energy: -1.003 local terms energy: -887.554792 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -181.266 flat angles C4'-P-C4' energy: -190.810 flat angles P-C4'-P energy: -127.140 tors. eta vs tors. theta energy: -234.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2523.498532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.498532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.498532 (E_RNA) where: Base-Base interactions energy: -1694.346 where: short stacking energy: -763.311 Base-Backbone interact. energy: -3.303 local terms energy: -825.849899 where: bonds (distance) C4'-P energy: -145.604 bonds (distance) P-C4' energy: -174.006 flat angles C4'-P-C4' energy: -181.884 flat angles P-C4'-P energy: -114.031 tors. eta vs tors. theta energy: -210.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2214.900805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.900805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.900805 (E_RNA) where: Base-Base interactions energy: -1460.986 where: short stacking energy: -669.242 Base-Backbone interact. energy: -3.506 local terms energy: -750.408762 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -170.721 flat angles C4'-P-C4' energy: -173.972 flat angles P-C4'-P energy: -95.980 tors. eta vs tors. theta energy: -164.993 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: 172 Temperature: 1.200000 Total energy: -1781.986417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.986417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.986417 (E_RNA) where: Base-Base interactions energy: -1094.441 where: short stacking energy: -533.404 Base-Backbone interact. energy: 0.493 local terms energy: -688.039110 where: bonds (distance) C4'-P energy: -153.472 bonds (distance) P-C4' energy: -157.118 flat angles C4'-P-C4' energy: -180.631 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -100.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1465.759937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.759937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.759937 (E_RNA) where: Base-Base interactions energy: -859.795 where: short stacking energy: -421.211 Base-Backbone interact. energy: -3.107 local terms energy: -602.857874 where: bonds (distance) C4'-P energy: -135.641 bonds (distance) P-C4' energy: -168.249 flat angles C4'-P-C4' energy: -146.377 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -67.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1194.317808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.317808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.317808 (E_RNA) where: Base-Base interactions energy: -647.041 where: short stacking energy: -345.790 Base-Backbone interact. energy: -3.225 local terms energy: -544.051332 where: bonds (distance) C4'-P energy: -154.693 bonds (distance) P-C4' energy: -144.009 flat angles C4'-P-C4' energy: -147.840 flat angles P-C4'-P energy: -62.436 tors. eta vs tors. theta energy: -35.073 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1001.109248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.109248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.109248 (E_RNA) where: Base-Base interactions energy: -504.477 where: short stacking energy: -299.539 Base-Backbone interact. energy: 8.698 local terms energy: -505.329944 where: bonds (distance) C4'-P energy: -145.745 bonds (distance) P-C4' energy: -145.624 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -20.738 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3071.893910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.893910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.893910 (E_RNA) where: Base-Base interactions energy: -2089.649 where: short stacking energy: -960.826 Base-Backbone interact. energy: -0.891 local terms energy: -981.354587 where: bonds (distance) C4'-P energy: -179.140 bonds (distance) P-C4' energy: -171.380 flat angles C4'-P-C4' energy: -207.484 flat angles P-C4'-P energy: -145.301 tors. eta vs tors. theta energy: -278.050 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: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2857.790326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.790326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.790326 (E_RNA) where: Base-Base interactions energy: -1954.094 where: short stacking energy: -882.587 Base-Backbone interact. energy: 5.399 local terms energy: -909.095445 where: bonds (distance) C4'-P energy: -165.204 bonds (distance) P-C4' energy: -187.169 flat angles C4'-P-C4' energy: -193.795 flat angles P-C4'-P energy: -111.584 tors. eta vs tors. theta energy: -251.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2767.304628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.304628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.304628 (E_RNA) where: Base-Base interactions energy: -1871.151 where: short stacking energy: -812.732 Base-Backbone interact. energy: -5.142 local terms energy: -891.011736 where: bonds (distance) C4'-P energy: -182.531 bonds (distance) P-C4' energy: -185.211 flat angles C4'-P-C4' energy: -190.197 flat angles P-C4'-P energy: -113.268 tors. eta vs tors. theta energy: -219.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2618.917269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.917269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.917269 (E_RNA) where: Base-Base interactions energy: -1732.149 where: short stacking energy: -808.099 Base-Backbone interact. energy: -2.675 local terms energy: -884.093332 where: bonds (distance) C4'-P energy: -151.403 bonds (distance) P-C4' energy: -184.219 flat angles C4'-P-C4' energy: -185.845 flat angles P-C4'-P energy: -120.540 tors. eta vs tors. theta energy: -242.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2460.741177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.741177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.741177 (E_RNA) where: Base-Base interactions energy: -1655.675 where: short stacking energy: -749.619 Base-Backbone interact. energy: 0.219 local terms energy: -805.285318 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -174.421 flat angles C4'-P-C4' energy: -179.325 flat angles P-C4'-P energy: -105.548 tors. eta vs tors. theta energy: -203.183 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: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2217.199660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.199660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.199660 (E_RNA) where: Base-Base interactions energy: -1445.223 where: short stacking energy: -661.992 Base-Backbone interact. energy: 2.364 local terms energy: -774.340093 where: bonds (distance) C4'-P energy: -141.656 bonds (distance) P-C4' energy: -159.511 flat angles C4'-P-C4' energy: -173.121 flat angles P-C4'-P energy: -122.235 tors. eta vs tors. theta energy: -177.817 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: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1740.564845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.564845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.564845 (E_RNA) where: Base-Base interactions energy: -1052.610 where: short stacking energy: -493.493 Base-Backbone interact. energy: 3.192 local terms energy: -691.147240 where: bonds (distance) C4'-P energy: -154.644 bonds (distance) P-C4' energy: -162.133 flat angles C4'-P-C4' energy: -160.585 flat angles P-C4'-P energy: -114.075 tors. eta vs tors. theta energy: -99.710 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: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1445.707151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.707151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.707151 (E_RNA) where: Base-Base interactions energy: -812.312 where: short stacking energy: -413.434 Base-Backbone interact. energy: 3.952 local terms energy: -637.346972 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -155.275 flat angles C4'-P-C4' energy: -150.504 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -86.226 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: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1208.839029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.839029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.839029 (E_RNA) where: Base-Base interactions energy: -648.559 where: short stacking energy: -312.220 Base-Backbone interact. energy: -3.286 local terms energy: -556.994591 where: bonds (distance) C4'-P energy: -151.897 bonds (distance) P-C4' energy: -157.588 flat angles C4'-P-C4' energy: -155.939 flat angles P-C4'-P energy: -76.616 tors. eta vs tors. theta energy: -14.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -916.819256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.819256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.819256 (E_RNA) where: Base-Base interactions energy: -433.554 where: short stacking energy: -240.739 Base-Backbone interact. energy: -4.153 local terms energy: -479.111879 where: bonds (distance) C4'-P energy: -158.358 bonds (distance) P-C4' energy: -155.854 flat angles C4'-P-C4' energy: -120.569 flat angles P-C4'-P energy: -83.562 tors. eta vs tors. theta energy: 39.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3077.770667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.770667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.770667 (E_RNA) where: Base-Base interactions energy: -2098.054 where: short stacking energy: -969.895 Base-Backbone interact. energy: -1.895 local terms energy: -977.821509 where: bonds (distance) C4'-P energy: -166.170 bonds (distance) P-C4' energy: -181.083 flat angles C4'-P-C4' energy: -212.694 flat angles P-C4'-P energy: -140.822 tors. eta vs tors. theta energy: -277.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2869.424549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.424549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.424549 (E_RNA) where: Base-Base interactions energy: -1920.996 where: short stacking energy: -869.904 Base-Backbone interact. energy: -0.849 local terms energy: -947.579460 where: bonds (distance) C4'-P energy: -194.394 bonds (distance) P-C4' energy: -187.675 flat angles C4'-P-C4' energy: -210.878 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -252.791 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: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2774.359904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.359904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.359904 (E_RNA) where: Base-Base interactions energy: -1866.723 where: short stacking energy: -828.168 Base-Backbone interact. energy: -6.303 local terms energy: -901.334057 where: bonds (distance) C4'-P energy: -164.215 bonds (distance) P-C4' energy: -180.109 flat angles C4'-P-C4' energy: -201.199 flat angles P-C4'-P energy: -120.603 tors. eta vs tors. theta energy: -235.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2602.650011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.650011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.650011 (E_RNA) where: Base-Base interactions energy: -1699.183 where: short stacking energy: -783.339 Base-Backbone interact. energy: -2.095 local terms energy: -901.371179 where: bonds (distance) C4'-P energy: -176.601 bonds (distance) P-C4' energy: -167.620 flat angles C4'-P-C4' energy: -190.908 flat angles P-C4'-P energy: -133.095 tors. eta vs tors. theta energy: -233.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2448.928265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.928265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.928265 (E_RNA) where: Base-Base interactions energy: -1601.023 where: short stacking energy: -750.420 Base-Backbone interact. energy: 1.451 local terms energy: -849.356261 where: bonds (distance) C4'-P energy: -182.359 bonds (distance) P-C4' energy: -174.578 flat angles C4'-P-C4' energy: -194.811 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -202.030 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: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2218.120393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.120393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.120393 (E_RNA) where: Base-Base interactions energy: -1470.661 where: short stacking energy: -680.138 Base-Backbone interact. energy: 3.617 local terms energy: -751.076608 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -169.406 flat angles C4'-P-C4' energy: -174.082 flat angles P-C4'-P energy: -92.951 tors. eta vs tors. theta energy: -167.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1759.877674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.877674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.877674 (E_RNA) where: Base-Base interactions energy: -1088.771 where: short stacking energy: -529.602 Base-Backbone interact. energy: 3.838 local terms energy: -674.944632 where: bonds (distance) C4'-P energy: -155.750 bonds (distance) P-C4' energy: -167.038 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -83.158 tors. eta vs tors. theta energy: -115.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1468.139569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.139569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.139569 (E_RNA) where: Base-Base interactions energy: -841.385 where: short stacking energy: -444.285 Base-Backbone interact. energy: 2.266 local terms energy: -629.020039 where: bonds (distance) C4'-P energy: -158.824 bonds (distance) P-C4' energy: -154.390 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -82.546 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: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1228.178922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.178922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.178922 (E_RNA) where: Base-Base interactions energy: -702.206 where: short stacking energy: -356.193 Base-Backbone interact. energy: -2.272 local terms energy: -523.701554 where: bonds (distance) C4'-P energy: -123.584 bonds (distance) P-C4' energy: -128.269 flat angles C4'-P-C4' energy: -142.611 flat angles P-C4'-P energy: -87.665 tors. eta vs tors. theta energy: -41.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -969.425716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.425716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.425716 (E_RNA) where: Base-Base interactions energy: -486.482 where: short stacking energy: -295.084 Base-Backbone interact. energy: -0.819 local terms energy: -482.124462 where: bonds (distance) C4'-P energy: -132.088 bonds (distance) P-C4' energy: -145.531 flat angles C4'-P-C4' energy: -138.656 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -2.978 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: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3107.637095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.637095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.637095 (E_RNA) where: Base-Base interactions energy: -2093.714 where: short stacking energy: -983.158 Base-Backbone interact. energy: -2.156 local terms energy: -1011.767455 where: bonds (distance) C4'-P energy: -170.537 bonds (distance) P-C4' energy: -202.761 flat angles C4'-P-C4' energy: -204.914 flat angles P-C4'-P energy: -147.803 tors. eta vs tors. theta energy: -285.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2907.367037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.367037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.367037 (E_RNA) where: Base-Base interactions energy: -1952.129 where: short stacking energy: -891.097 Base-Backbone interact. energy: -5.368 local terms energy: -949.870432 where: bonds (distance) C4'-P energy: -166.241 bonds (distance) P-C4' energy: -180.196 flat angles C4'-P-C4' energy: -206.524 flat angles P-C4'-P energy: -148.510 tors. eta vs tors. theta energy: -248.400 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: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2817.200480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.200480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.200480 (E_RNA) where: Base-Base interactions energy: -1914.216 where: short stacking energy: -861.000 Base-Backbone interact. energy: -1.785 local terms energy: -901.198576 where: bonds (distance) C4'-P energy: -176.429 bonds (distance) P-C4' energy: -185.794 flat angles C4'-P-C4' energy: -184.261 flat angles P-C4'-P energy: -121.298 tors. eta vs tors. theta energy: -233.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2605.628749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.628749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.628749 (E_RNA) where: Base-Base interactions energy: -1752.555 where: short stacking energy: -825.780 Base-Backbone interact. energy: 0.975 local terms energy: -854.049021 where: bonds (distance) C4'-P energy: -158.086 bonds (distance) P-C4' energy: -157.343 flat angles C4'-P-C4' energy: -193.202 flat angles P-C4'-P energy: -121.897 tors. eta vs tors. theta energy: -223.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2470.815050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.815050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.815050 (E_RNA) where: Base-Base interactions energy: -1632.836 where: short stacking energy: -727.596 Base-Backbone interact. energy: -1.113 local terms energy: -836.865917 where: bonds (distance) C4'-P energy: -148.911 bonds (distance) P-C4' energy: -183.551 flat angles C4'-P-C4' energy: -186.946 flat angles P-C4'-P energy: -119.452 tors. eta vs tors. theta energy: -198.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2245.933664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.933664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.933664 (E_RNA) where: Base-Base interactions energy: -1474.103 where: short stacking energy: -656.291 Base-Backbone interact. energy: -3.076 local terms energy: -768.754551 where: bonds (distance) C4'-P energy: -157.555 bonds (distance) P-C4' energy: -155.420 flat angles C4'-P-C4' energy: -192.373 flat angles P-C4'-P energy: -109.624 tors. eta vs tors. theta energy: -153.782 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: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1757.882036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.882036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.882036 (E_RNA) where: Base-Base interactions energy: -1052.697 where: short stacking energy: -522.901 Base-Backbone interact. energy: -0.660 local terms energy: -704.525447 where: bonds (distance) C4'-P energy: -150.073 bonds (distance) P-C4' energy: -154.270 flat angles C4'-P-C4' energy: -167.673 flat angles P-C4'-P energy: -109.056 tors. eta vs tors. theta energy: -123.453 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: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1442.207357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.207357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.207357 (E_RNA) where: Base-Base interactions energy: -841.041 where: short stacking energy: -431.125 Base-Backbone interact. energy: -1.709 local terms energy: -599.456788 where: bonds (distance) C4'-P energy: -127.871 bonds (distance) P-C4' energy: -160.353 flat angles C4'-P-C4' energy: -155.648 flat angles P-C4'-P energy: -78.739 tors. eta vs tors. theta energy: -76.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1129.916993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.916993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.916993 (E_RNA) where: Base-Base interactions energy: -610.016 where: short stacking energy: -289.286 Base-Backbone interact. energy: 3.138 local terms energy: -523.038793 where: bonds (distance) C4'-P energy: -130.095 bonds (distance) P-C4' energy: -159.570 flat angles C4'-P-C4' energy: -124.250 flat angles P-C4'-P energy: -101.938 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -935.297319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.297319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.297319 (E_RNA) where: Base-Base interactions energy: -449.774 where: short stacking energy: -248.872 Base-Backbone interact. energy: 0.745 local terms energy: -486.267637 where: bonds (distance) C4'-P energy: -150.924 bonds (distance) P-C4' energy: -164.955 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: 15.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3104.754272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.754272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.754272 (E_RNA) where: Base-Base interactions energy: -2089.591 where: short stacking energy: -977.349 Base-Backbone interact. energy: -2.408 local terms energy: -1012.754921 where: bonds (distance) C4'-P energy: -191.280 bonds (distance) P-C4' energy: -194.063 flat angles C4'-P-C4' energy: -203.456 flat angles P-C4'-P energy: -144.912 tors. eta vs tors. theta energy: -279.044 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: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2875.162155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.162155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.162155 (E_RNA) where: Base-Base interactions energy: -1923.374 where: short stacking energy: -867.688 Base-Backbone interact. energy: -6.947 local terms energy: -944.841530 where: bonds (distance) C4'-P energy: -182.797 bonds (distance) P-C4' energy: -188.138 flat angles C4'-P-C4' energy: -195.123 flat angles P-C4'-P energy: -128.909 tors. eta vs tors. theta energy: -249.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2808.780830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.780830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.780830 (E_RNA) where: Base-Base interactions energy: -1907.691 where: short stacking energy: -825.114 Base-Backbone interact. energy: -2.779 local terms energy: -898.310694 where: bonds (distance) C4'-P energy: -163.511 bonds (distance) P-C4' energy: -180.377 flat angles C4'-P-C4' energy: -195.773 flat angles P-C4'-P energy: -126.965 tors. eta vs tors. theta energy: -231.686 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: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2605.323536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.323536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.323536 (E_RNA) where: Base-Base interactions energy: -1737.429 where: short stacking energy: -815.470 Base-Backbone interact. energy: -2.889 local terms energy: -865.005439 where: bonds (distance) C4'-P energy: -160.989 bonds (distance) P-C4' energy: -155.276 flat angles C4'-P-C4' energy: -194.944 flat angles P-C4'-P energy: -109.238 tors. eta vs tors. theta energy: -244.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2478.573300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.573300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.573300 (E_RNA) where: Base-Base interactions energy: -1653.291 where: short stacking energy: -759.279 Base-Backbone interact. energy: -4.045 local terms energy: -821.236695 where: bonds (distance) C4'-P energy: -140.413 bonds (distance) P-C4' energy: -145.218 flat angles C4'-P-C4' energy: -184.159 flat angles P-C4'-P energy: -122.093 tors. eta vs tors. theta energy: -229.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2241.674321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.674321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.674321 (E_RNA) where: Base-Base interactions energy: -1442.191 where: short stacking energy: -675.450 Base-Backbone interact. energy: -5.153 local terms energy: -794.330356 where: bonds (distance) C4'-P energy: -161.672 bonds (distance) P-C4' energy: -158.568 flat angles C4'-P-C4' energy: -167.733 flat angles P-C4'-P energy: -129.758 tors. eta vs tors. theta energy: -176.600 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: 176 Temperature: 1.200000 Total energy: -1699.989195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.989195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.989195 (E_RNA) where: Base-Base interactions energy: -1032.886 where: short stacking energy: -495.786 Base-Backbone interact. energy: -1.417 local terms energy: -665.687123 where: bonds (distance) C4'-P energy: -158.069 bonds (distance) P-C4' energy: -164.605 flat angles C4'-P-C4' energy: -154.164 flat angles P-C4'-P energy: -98.328 tors. eta vs tors. theta energy: -90.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1518.240380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.240380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.240380 (E_RNA) where: Base-Base interactions energy: -914.887 where: short stacking energy: -448.797 Base-Backbone interact. energy: -1.019 local terms energy: -602.334800 where: bonds (distance) C4'-P energy: -120.895 bonds (distance) P-C4' energy: -152.760 flat angles C4'-P-C4' energy: -173.230 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -80.171 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: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1068.869516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.869516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.869516 (E_RNA) where: Base-Base interactions energy: -505.395 where: short stacking energy: -268.664 Base-Backbone interact. energy: 2.018 local terms energy: -565.492653 where: bonds (distance) C4'-P energy: -153.741 bonds (distance) P-C4' energy: -183.623 flat angles C4'-P-C4' energy: -140.379 flat angles P-C4'-P energy: -94.186 tors. eta vs tors. theta energy: 6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -942.238463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.238463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.238463 (E_RNA) where: Base-Base interactions energy: -467.076 where: short stacking energy: -273.851 Base-Backbone interact. energy: 1.294 local terms energy: -476.456723 where: bonds (distance) C4'-P energy: -127.163 bonds (distance) P-C4' energy: -134.110 flat angles C4'-P-C4' energy: -123.769 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -17.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3090.292993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.292993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.292993 (E_RNA) where: Base-Base interactions energy: -2073.888 where: short stacking energy: -986.445 Base-Backbone interact. energy: -0.290 local terms energy: -1016.115874 where: bonds (distance) C4'-P energy: -182.904 bonds (distance) P-C4' energy: -183.195 flat angles C4'-P-C4' energy: -210.579 flat angles P-C4'-P energy: -147.895 tors. eta vs tors. theta energy: -291.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2874.936858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.936858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.936858 (E_RNA) where: Base-Base interactions energy: -1919.552 where: short stacking energy: -873.344 Base-Backbone interact. energy: -4.182 local terms energy: -951.203215 where: bonds (distance) C4'-P energy: -175.940 bonds (distance) P-C4' energy: -177.410 flat angles C4'-P-C4' energy: -214.097 flat angles P-C4'-P energy: -121.880 tors. eta vs tors. theta energy: -261.876 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: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2764.701498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.701498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.701498 (E_RNA) where: Base-Base interactions energy: -1883.497 where: short stacking energy: -788.668 Base-Backbone interact. energy: -1.321 local terms energy: -879.883117 where: bonds (distance) C4'-P energy: -177.715 bonds (distance) P-C4' energy: -171.931 flat angles C4'-P-C4' energy: -209.251 flat angles P-C4'-P energy: -111.890 tors. eta vs tors. theta energy: -209.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2695.905546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.905546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.905546 (E_RNA) where: Base-Base interactions energy: -1794.376 where: short stacking energy: -838.936 Base-Backbone interact. energy: -2.502 local terms energy: -899.026997 where: bonds (distance) C4'-P energy: -165.503 bonds (distance) P-C4' energy: -168.984 flat angles C4'-P-C4' energy: -189.820 flat angles P-C4'-P energy: -140.004 tors. eta vs tors. theta energy: -234.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2460.929468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.929468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.929468 (E_RNA) where: Base-Base interactions energy: -1625.490 where: short stacking energy: -751.211 Base-Backbone interact. energy: -2.217 local terms energy: -833.221859 where: bonds (distance) C4'-P energy: -160.556 bonds (distance) P-C4' energy: -180.524 flat angles C4'-P-C4' energy: -167.033 flat angles P-C4'-P energy: -120.109 tors. eta vs tors. theta energy: -204.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2316.312057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.312057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.312057 (E_RNA) where: Base-Base interactions energy: -1502.357 where: short stacking energy: -686.218 Base-Backbone interact. energy: -0.996 local terms energy: -812.958529 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -191.077 flat angles P-C4'-P energy: -129.990 tors. eta vs tors. theta energy: -178.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1738.144374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.144374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.144374 (E_RNA) where: Base-Base interactions energy: -1081.929 where: short stacking energy: -519.277 Base-Backbone interact. energy: 1.180 local terms energy: -657.395321 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -148.464 flat angles C4'-P-C4' energy: -145.523 flat angles P-C4'-P energy: -102.460 tors. eta vs tors. theta energy: -114.148 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: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1533.903730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.903730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.903730 (E_RNA) where: Base-Base interactions energy: -899.237 where: short stacking energy: -476.915 Base-Backbone interact. energy: -1.896 local terms energy: -632.771459 where: bonds (distance) C4'-P energy: -151.236 bonds (distance) P-C4' energy: -124.639 flat angles C4'-P-C4' energy: -171.136 flat angles P-C4'-P energy: -92.843 tors. eta vs tors. theta energy: -92.918 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: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1117.691939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.691939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.691939 (E_RNA) where: Base-Base interactions energy: -574.060 where: short stacking energy: -310.544 Base-Backbone interact. energy: 9.547 local terms energy: -553.179454 where: bonds (distance) C4'-P energy: -154.777 bonds (distance) P-C4' energy: -136.660 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -94.895 tors. eta vs tors. theta energy: -33.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -854.424073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.424073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.424073 (E_RNA) where: Base-Base interactions energy: -399.253 where: short stacking energy: -253.769 Base-Backbone interact. energy: 0.583 local terms energy: -455.754149 where: bonds (distance) C4'-P energy: -148.565 bonds (distance) P-C4' energy: -135.584 flat angles C4'-P-C4' energy: -134.404 flat angles P-C4'-P energy: -61.557 tors. eta vs tors. theta energy: 24.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3110.458644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.458644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.458644 (E_RNA) where: Base-Base interactions energy: -2100.517 where: short stacking energy: -1004.089 Base-Backbone interact. energy: -2.818 local terms energy: -1007.123834 where: bonds (distance) C4'-P energy: -183.112 bonds (distance) P-C4' energy: -191.683 flat angles C4'-P-C4' energy: -208.692 flat angles P-C4'-P energy: -138.072 tors. eta vs tors. theta energy: -285.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2856.938570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.938570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.938570 (E_RNA) where: Base-Base interactions energy: -1907.750 where: short stacking energy: -892.570 Base-Backbone interact. energy: -2.555 local terms energy: -946.632763 where: bonds (distance) C4'-P energy: -176.978 bonds (distance) P-C4' energy: -177.921 flat angles C4'-P-C4' energy: -187.110 flat angles P-C4'-P energy: -150.489 tors. eta vs tors. theta energy: -254.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2791.643312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.643312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.643312 (E_RNA) where: Base-Base interactions energy: -1915.403 where: short stacking energy: -846.876 Base-Backbone interact. energy: -2.218 local terms energy: -874.021980 where: bonds (distance) C4'-P energy: -153.203 bonds (distance) P-C4' energy: -177.280 flat angles C4'-P-C4' energy: -180.778 flat angles P-C4'-P energy: -129.954 tors. eta vs tors. theta energy: -232.807 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: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2635.902282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.902282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.902282 (E_RNA) where: Base-Base interactions energy: -1769.493 where: short stacking energy: -805.862 Base-Backbone interact. energy: -1.681 local terms energy: -864.728039 where: bonds (distance) C4'-P energy: -144.121 bonds (distance) P-C4' energy: -175.714 flat angles C4'-P-C4' energy: -187.606 flat angles P-C4'-P energy: -120.593 tors. eta vs tors. theta energy: -236.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2420.178509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.178509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.178509 (E_RNA) where: Base-Base interactions energy: -1596.561 where: short stacking energy: -707.088 Base-Backbone interact. energy: -4.227 local terms energy: -819.390938 where: bonds (distance) C4'-P energy: -148.241 bonds (distance) P-C4' energy: -177.701 flat angles C4'-P-C4' energy: -181.678 flat angles P-C4'-P energy: -115.098 tors. eta vs tors. theta energy: -196.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2290.535572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.535572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.535572 (E_RNA) where: Base-Base interactions energy: -1523.254 where: short stacking energy: -691.992 Base-Backbone interact. energy: -1.325 local terms energy: -765.957222 where: bonds (distance) C4'-P energy: -150.696 bonds (distance) P-C4' energy: -148.681 flat angles C4'-P-C4' energy: -181.510 flat angles P-C4'-P energy: -107.855 tors. eta vs tors. theta energy: -177.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1878.573740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.573740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.573740 (E_RNA) where: Base-Base interactions energy: -1149.226 where: short stacking energy: -558.339 Base-Backbone interact. energy: 3.663 local terms energy: -733.010815 where: bonds (distance) C4'-P energy: -163.504 bonds (distance) P-C4' energy: -171.895 flat angles C4'-P-C4' energy: -157.928 flat angles P-C4'-P energy: -114.836 tors. eta vs tors. theta energy: -124.848 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: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1470.698030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.698030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.698030 (E_RNA) where: Base-Base interactions energy: -874.682 where: short stacking energy: -428.410 Base-Backbone interact. energy: 1.112 local terms energy: -597.128291 where: bonds (distance) C4'-P energy: -153.940 bonds (distance) P-C4' energy: -160.200 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -86.716 tors. eta vs tors. theta energy: -55.116 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1150.448913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.448913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.448913 (E_RNA) where: Base-Base interactions energy: -635.135 where: short stacking energy: -331.371 Base-Backbone interact. energy: 1.309 local terms energy: -516.622519 where: bonds (distance) C4'-P energy: -140.389 bonds (distance) P-C4' energy: -152.360 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -90.636 tors. eta vs tors. theta energy: -6.757 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: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -911.516750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.516750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.516750 (E_RNA) where: Base-Base interactions energy: -462.285 where: short stacking energy: -263.415 Base-Backbone interact. energy: 1.766 local terms energy: -450.998403 where: bonds (distance) C4'-P energy: -141.388 bonds (distance) P-C4' energy: -154.397 flat angles C4'-P-C4' energy: -116.569 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: 24.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3068.310874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.310874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.310874 (E_RNA) where: Base-Base interactions energy: -2069.969 where: short stacking energy: -965.862 Base-Backbone interact. energy: -2.724 local terms energy: -995.617987 where: bonds (distance) C4'-P energy: -174.534 bonds (distance) P-C4' energy: -180.548 flat angles C4'-P-C4' energy: -211.734 flat angles P-C4'-P energy: -141.962 tors. eta vs tors. theta energy: -286.841 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: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2908.063710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.063710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.063710 (E_RNA) where: Base-Base interactions energy: -1954.049 where: short stacking energy: -872.117 Base-Backbone interact. energy: -5.328 local terms energy: -948.687228 where: bonds (distance) C4'-P energy: -194.174 bonds (distance) P-C4' energy: -170.884 flat angles C4'-P-C4' energy: -192.195 flat angles P-C4'-P energy: -131.516 tors. eta vs tors. theta energy: -259.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2818.469759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.469759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.469759 (E_RNA) where: Base-Base interactions energy: -1921.784 where: short stacking energy: -850.239 Base-Backbone interact. energy: 2.334 local terms energy: -899.020229 where: bonds (distance) C4'-P energy: -161.263 bonds (distance) P-C4' energy: -177.754 flat angles C4'-P-C4' energy: -201.886 flat angles P-C4'-P energy: -124.639 tors. eta vs tors. theta energy: -233.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2641.532090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.532090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.532090 (E_RNA) where: Base-Base interactions energy: -1746.718 where: short stacking energy: -787.930 Base-Backbone interact. energy: -3.681 local terms energy: -891.132685 where: bonds (distance) C4'-P energy: -150.664 bonds (distance) P-C4' energy: -189.810 flat angles C4'-P-C4' energy: -190.083 flat angles P-C4'-P energy: -131.441 tors. eta vs tors. theta energy: -229.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2493.987202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.987202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.987202 (E_RNA) where: Base-Base interactions energy: -1652.180 where: short stacking energy: -778.472 Base-Backbone interact. energy: -0.880 local terms energy: -840.926365 where: bonds (distance) C4'-P energy: -163.672 bonds (distance) P-C4' energy: -163.210 flat angles C4'-P-C4' energy: -184.121 flat angles P-C4'-P energy: -121.476 tors. eta vs tors. theta energy: -208.447 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: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2255.097838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.097838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.097838 (E_RNA) where: Base-Base interactions energy: -1467.261 where: short stacking energy: -685.645 Base-Backbone interact. energy: -2.971 local terms energy: -784.865837 where: bonds (distance) C4'-P energy: -160.693 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -174.458 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -185.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1818.233598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.233598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.233598 (E_RNA) where: Base-Base interactions energy: -1137.656 where: short stacking energy: -544.345 Base-Backbone interact. energy: -0.311 local terms energy: -680.267030 where: bonds (distance) C4'-P energy: -145.446 bonds (distance) P-C4' energy: -160.444 flat angles C4'-P-C4' energy: -178.400 flat angles P-C4'-P energy: -97.080 tors. eta vs tors. theta energy: -98.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1495.788967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.788967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.788967 (E_RNA) where: Base-Base interactions energy: -875.819 where: short stacking energy: -446.009 Base-Backbone interact. energy: 0.482 local terms energy: -620.451840 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -159.867 flat angles P-C4'-P energy: -79.860 tors. eta vs tors. theta energy: -94.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1180.116958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.116958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.116958 (E_RNA) where: Base-Base interactions energy: -666.059 where: short stacking energy: -354.896 Base-Backbone interact. energy: -0.237 local terms energy: -513.820544 where: bonds (distance) C4'-P energy: -114.170 bonds (distance) P-C4' energy: -163.230 flat angles C4'-P-C4' energy: -126.340 flat angles P-C4'-P energy: -78.458 tors. eta vs tors. theta energy: -31.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -963.785235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.785235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.785235 (E_RNA) where: Base-Base interactions energy: -497.649 where: short stacking energy: -260.510 Base-Backbone interact. energy: 2.585 local terms energy: -468.721824 where: bonds (distance) C4'-P energy: -151.466 bonds (distance) P-C4' energy: -121.729 flat angles C4'-P-C4' energy: -146.515 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: 21.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3098.280137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.280137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.280137 (E_RNA) where: Base-Base interactions energy: -2095.539 where: short stacking energy: -984.556 Base-Backbone interact. energy: -4.577 local terms energy: -998.163650 where: bonds (distance) C4'-P energy: -183.497 bonds (distance) P-C4' energy: -173.993 flat angles C4'-P-C4' energy: -203.980 flat angles P-C4'-P energy: -146.868 tors. eta vs tors. theta energy: -289.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2904.200127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.200127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.200127 (E_RNA) where: Base-Base interactions energy: -1947.674 where: short stacking energy: -894.180 Base-Backbone interact. energy: -3.610 local terms energy: -952.916459 where: bonds (distance) C4'-P energy: -186.412 bonds (distance) P-C4' energy: -179.663 flat angles C4'-P-C4' energy: -201.844 flat angles P-C4'-P energy: -126.400 tors. eta vs tors. theta energy: -258.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2776.562036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.562036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.562036 (E_RNA) where: Base-Base interactions energy: -1894.670 where: short stacking energy: -855.425 Base-Backbone interact. energy: -0.206 local terms energy: -881.685433 where: bonds (distance) C4'-P energy: -173.355 bonds (distance) P-C4' energy: -166.265 flat angles C4'-P-C4' energy: -179.265 flat angles P-C4'-P energy: -131.119 tors. eta vs tors. theta energy: -231.681 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: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2653.560372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.560372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.560372 (E_RNA) where: Base-Base interactions energy: -1770.339 where: short stacking energy: -808.355 Base-Backbone interact. energy: -0.972 local terms energy: -882.249212 where: bonds (distance) C4'-P energy: -158.989 bonds (distance) P-C4' energy: -174.626 flat angles C4'-P-C4' energy: -192.946 flat angles P-C4'-P energy: -115.460 tors. eta vs tors. theta energy: -240.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2393.276258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.276258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.276258 (E_RNA) where: Base-Base interactions energy: -1612.989 where: short stacking energy: -722.159 Base-Backbone interact. energy: -1.368 local terms energy: -778.919953 where: bonds (distance) C4'-P energy: -127.902 bonds (distance) P-C4' energy: -150.223 flat angles C4'-P-C4' energy: -187.059 flat angles P-C4'-P energy: -114.995 tors. eta vs tors. theta energy: -198.740 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: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2225.756042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.756042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.756042 (E_RNA) where: Base-Base interactions energy: -1436.467 where: short stacking energy: -673.333 Base-Backbone interact. energy: -2.414 local terms energy: -786.875398 where: bonds (distance) C4'-P energy: -165.434 bonds (distance) P-C4' energy: -173.947 flat angles C4'-P-C4' energy: -183.115 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -165.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1783.143699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.143699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.143699 (E_RNA) where: Base-Base interactions energy: -1098.601 where: short stacking energy: -524.548 Base-Backbone interact. energy: 4.378 local terms energy: -688.920232 where: bonds (distance) C4'-P energy: -135.242 bonds (distance) P-C4' energy: -164.730 flat angles C4'-P-C4' energy: -168.488 flat angles P-C4'-P energy: -104.207 tors. eta vs tors. theta energy: -116.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1459.197243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.197243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.197243 (E_RNA) where: Base-Base interactions energy: -878.677 where: short stacking energy: -424.016 Base-Backbone interact. energy: 1.187 local terms energy: -581.707548 where: bonds (distance) C4'-P energy: -137.030 bonds (distance) P-C4' energy: -157.113 flat angles C4'-P-C4' energy: -135.426 flat angles P-C4'-P energy: -74.876 tors. eta vs tors. theta energy: -77.263 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: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1129.978969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.978969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.978969 (E_RNA) where: Base-Base interactions energy: -586.056 where: short stacking energy: -336.874 Base-Backbone interact. energy: 1.750 local terms energy: -545.673180 where: bonds (distance) C4'-P energy: -124.871 bonds (distance) P-C4' energy: -173.459 flat angles C4'-P-C4' energy: -156.582 flat angles P-C4'-P energy: -69.107 tors. eta vs tors. theta energy: -21.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -903.016988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.016988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.016988 (E_RNA) where: Base-Base interactions energy: -432.489 where: short stacking energy: -236.083 Base-Backbone interact. energy: -2.879 local terms energy: -467.649457 where: bonds (distance) C4'-P energy: -139.176 bonds (distance) P-C4' energy: -149.680 flat angles C4'-P-C4' energy: -118.951 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: 17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3089.958453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.958453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.958453 (E_RNA) where: Base-Base interactions energy: -2089.405 where: short stacking energy: -945.437 Base-Backbone interact. energy: 1.875 local terms energy: -1002.429307 where: bonds (distance) C4'-P energy: -161.793 bonds (distance) P-C4' energy: -191.312 flat angles C4'-P-C4' energy: -221.725 flat angles P-C4'-P energy: -145.647 tors. eta vs tors. theta energy: -281.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2937.189783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.189783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.189783 (E_RNA) where: Base-Base interactions energy: -1993.223 where: short stacking energy: -891.936 Base-Backbone interact. energy: -5.292 local terms energy: -938.674818 where: bonds (distance) C4'-P energy: -171.329 bonds (distance) P-C4' energy: -166.051 flat angles C4'-P-C4' energy: -213.293 flat angles P-C4'-P energy: -127.379 tors. eta vs tors. theta energy: -260.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2793.987587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.987587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.987587 (E_RNA) where: Base-Base interactions energy: -1901.472 where: short stacking energy: -827.347 Base-Backbone interact. energy: -2.419 local terms energy: -890.096508 where: bonds (distance) C4'-P energy: -175.326 bonds (distance) P-C4' energy: -181.603 flat angles C4'-P-C4' energy: -195.752 flat angles P-C4'-P energy: -116.011 tors. eta vs tors. theta energy: -221.404 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: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2640.028171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.028171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.028171 (E_RNA) where: Base-Base interactions energy: -1749.546 where: short stacking energy: -818.215 Base-Backbone interact. energy: -1.803 local terms energy: -888.679237 where: bonds (distance) C4'-P energy: -181.684 bonds (distance) P-C4' energy: -180.703 flat angles C4'-P-C4' energy: -178.854 flat angles P-C4'-P energy: -116.824 tors. eta vs tors. theta energy: -230.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2430.385842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.385842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.385842 (E_RNA) where: Base-Base interactions energy: -1647.506 where: short stacking energy: -772.856 Base-Backbone interact. energy: -6.604 local terms energy: -776.276227 where: bonds (distance) C4'-P energy: -136.840 bonds (distance) P-C4' energy: -150.723 flat angles C4'-P-C4' energy: -172.446 flat angles P-C4'-P energy: -120.805 tors. eta vs tors. theta energy: -195.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2258.968555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.968555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.968555 (E_RNA) where: Base-Base interactions energy: -1475.180 where: short stacking energy: -682.985 Base-Backbone interact. energy: 2.957 local terms energy: -786.746303 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -160.566 flat angles C4'-P-C4' energy: -171.120 flat angles P-C4'-P energy: -118.831 tors. eta vs tors. theta energy: -193.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1795.392366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.392366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.392366 (E_RNA) where: Base-Base interactions energy: -1150.402 where: short stacking energy: -563.365 Base-Backbone interact. energy: -0.636 local terms energy: -644.354801 where: bonds (distance) C4'-P energy: -145.629 bonds (distance) P-C4' energy: -162.771 flat angles C4'-P-C4' energy: -146.281 flat angles P-C4'-P energy: -79.620 tors. eta vs tors. theta energy: -110.055 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: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1410.184172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.184172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.184172 (E_RNA) where: Base-Base interactions energy: -835.925 where: short stacking energy: -392.388 Base-Backbone interact. energy: -0.702 local terms energy: -573.557022 where: bonds (distance) C4'-P energy: -154.263 bonds (distance) P-C4' energy: -156.524 flat angles C4'-P-C4' energy: -127.551 flat angles P-C4'-P energy: -85.559 tors. eta vs tors. theta energy: -49.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1179.135430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.135430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.135430 (E_RNA) where: Base-Base interactions energy: -639.137 where: short stacking energy: -357.822 Base-Backbone interact. energy: 14.343 local terms energy: -554.341581 where: bonds (distance) C4'-P energy: -121.493 bonds (distance) P-C4' energy: -158.538 flat angles C4'-P-C4' energy: -148.171 flat angles P-C4'-P energy: -98.070 tors. eta vs tors. theta energy: -28.069 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -918.507015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.507015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.507015 (E_RNA) where: Base-Base interactions energy: -482.559 where: short stacking energy: -262.359 Base-Backbone interact. energy: 8.330 local terms energy: -444.278028 where: bonds (distance) C4'-P energy: -140.969 bonds (distance) P-C4' energy: -154.426 flat angles C4'-P-C4' energy: -97.479 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: 3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3067.507879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.507879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.507879 (E_RNA) where: Base-Base interactions energy: -2082.735 where: short stacking energy: -966.209 Base-Backbone interact. energy: 0.449 local terms energy: -985.222575 where: bonds (distance) C4'-P energy: -185.257 bonds (distance) P-C4' energy: -171.729 flat angles C4'-P-C4' energy: -200.072 flat angles P-C4'-P energy: -140.322 tors. eta vs tors. theta energy: -287.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2938.498238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.498238 (E_RNA) where: Base-Base interactions energy: -1956.684 where: short stacking energy: -882.806 Base-Backbone interact. energy: -1.056 local terms energy: -980.758402 where: bonds (distance) C4'-P energy: -180.029 bonds (distance) P-C4' energy: -180.882 flat angles C4'-P-C4' energy: -218.011 flat angles P-C4'-P energy: -136.607 tors. eta vs tors. theta energy: -265.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2684.280256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.280256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.280256 (E_RNA) where: Base-Base interactions energy: -1803.391 where: short stacking energy: -767.605 Base-Backbone interact. energy: -3.352 local terms energy: -877.537565 where: bonds (distance) C4'-P energy: -185.188 bonds (distance) P-C4' energy: -176.010 flat angles C4'-P-C4' energy: -190.033 flat angles P-C4'-P energy: -119.149 tors. eta vs tors. theta energy: -207.158 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: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2662.360638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.360638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.360638 (E_RNA) where: Base-Base interactions energy: -1771.361 where: short stacking energy: -799.658 Base-Backbone interact. energy: -2.104 local terms energy: -888.895342 where: bonds (distance) C4'-P energy: -161.000 bonds (distance) P-C4' energy: -159.192 flat angles C4'-P-C4' energy: -189.889 flat angles P-C4'-P energy: -134.011 tors. eta vs tors. theta energy: -244.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2422.023705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.023705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.023705 (E_RNA) where: Base-Base interactions energy: -1620.837 where: short stacking energy: -756.823 Base-Backbone interact. energy: -4.816 local terms energy: -796.370732 where: bonds (distance) C4'-P energy: -154.241 bonds (distance) P-C4' energy: -168.558 flat angles C4'-P-C4' energy: -175.320 flat angles P-C4'-P energy: -117.960 tors. eta vs tors. theta energy: -180.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2209.011002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.011002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.011002 (E_RNA) where: Base-Base interactions energy: -1429.707 where: short stacking energy: -654.467 Base-Backbone interact. energy: -1.278 local terms energy: -778.025777 where: bonds (distance) C4'-P energy: -151.733 bonds (distance) P-C4' energy: -187.532 flat angles C4'-P-C4' energy: -172.277 flat angles P-C4'-P energy: -111.085 tors. eta vs tors. theta energy: -155.399 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: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1783.024687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.024687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.024687 (E_RNA) where: Base-Base interactions energy: -1118.096 where: short stacking energy: -532.241 Base-Backbone interact. energy: -3.156 local terms energy: -661.771824 where: bonds (distance) C4'-P energy: -145.229 bonds (distance) P-C4' energy: -168.708 flat angles C4'-P-C4' energy: -156.402 flat angles P-C4'-P energy: -88.456 tors. eta vs tors. theta energy: -102.976 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: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1407.863338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.863338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.863338 (E_RNA) where: Base-Base interactions energy: -798.519 where: short stacking energy: -401.243 Base-Backbone interact. energy: 0.488 local terms energy: -609.832416 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -161.519 flat angles C4'-P-C4' energy: -138.527 flat angles P-C4'-P energy: -92.142 tors. eta vs tors. theta energy: -68.241 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: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1068.410329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.410329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.410329 (E_RNA) where: Base-Base interactions energy: -559.760 where: short stacking energy: -285.898 Base-Backbone interact. energy: 2.062 local terms energy: -510.711902 where: bonds (distance) C4'-P energy: -145.056 bonds (distance) P-C4' energy: -144.378 flat angles C4'-P-C4' energy: -138.330 flat angles P-C4'-P energy: -78.375 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -921.651707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.651707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.651707 (E_RNA) where: Base-Base interactions energy: -398.654 where: short stacking energy: -255.481 Base-Backbone interact. energy: -1.411 local terms energy: -521.587377 where: bonds (distance) C4'-P energy: -152.854 bonds (distance) P-C4' energy: -152.559 flat angles C4'-P-C4' energy: -124.685 flat angles P-C4'-P energy: -76.578 tors. eta vs tors. theta energy: -14.911 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: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3077.592243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.592243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.592243 (E_RNA) where: Base-Base interactions energy: -2060.446 where: short stacking energy: -959.433 Base-Backbone interact. energy: -3.394 local terms energy: -1013.752696 where: bonds (distance) C4'-P energy: -201.501 bonds (distance) P-C4' energy: -185.431 flat angles C4'-P-C4' energy: -211.667 flat angles P-C4'-P energy: -127.512 tors. eta vs tors. theta energy: -287.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2948.805236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.805236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.805236 (E_RNA) where: Base-Base interactions energy: -1946.973 where: short stacking energy: -875.659 Base-Backbone interact. energy: -5.710 local terms energy: -996.121677 where: bonds (distance) C4'-P energy: -177.537 bonds (distance) P-C4' energy: -184.965 flat angles C4'-P-C4' energy: -201.614 flat angles P-C4'-P energy: -146.436 tors. eta vs tors. theta energy: -285.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2740.994429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.994429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.994429 (E_RNA) where: Base-Base interactions energy: -1845.878 where: short stacking energy: -829.250 Base-Backbone interact. energy: 3.098 local terms energy: -898.214676 where: bonds (distance) C4'-P energy: -163.075 bonds (distance) P-C4' energy: -186.588 flat angles C4'-P-C4' energy: -186.652 flat angles P-C4'-P energy: -138.036 tors. eta vs tors. theta energy: -223.863 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: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2631.324922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.324922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.324922 (E_RNA) where: Base-Base interactions energy: -1730.876 where: short stacking energy: -791.387 Base-Backbone interact. energy: 3.214 local terms energy: -903.663262 where: bonds (distance) C4'-P energy: -182.174 bonds (distance) P-C4' energy: -177.079 flat angles C4'-P-C4' energy: -184.968 flat angles P-C4'-P energy: -131.861 tors. eta vs tors. theta energy: -227.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2454.533282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.533282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.533282 (E_RNA) where: Base-Base interactions energy: -1610.388 where: short stacking energy: -739.737 Base-Backbone interact. energy: -5.191 local terms energy: -838.954382 where: bonds (distance) C4'-P energy: -168.710 bonds (distance) P-C4' energy: -173.613 flat angles C4'-P-C4' energy: -186.341 flat angles P-C4'-P energy: -105.074 tors. eta vs tors. theta energy: -205.216 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: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2286.387783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.387783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.387783 (E_RNA) where: Base-Base interactions energy: -1521.117 where: short stacking energy: -688.688 Base-Backbone interact. energy: -1.988 local terms energy: -763.282803 where: bonds (distance) C4'-P energy: -151.748 bonds (distance) P-C4' energy: -162.766 flat angles C4'-P-C4' energy: -177.657 flat angles P-C4'-P energy: -100.470 tors. eta vs tors. theta energy: -170.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1777.214349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.214349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.214349 (E_RNA) where: Base-Base interactions energy: -1117.816 where: short stacking energy: -532.295 Base-Backbone interact. energy: 6.685 local terms energy: -666.083784 where: bonds (distance) C4'-P energy: -162.251 bonds (distance) P-C4' energy: -136.049 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -113.971 tors. eta vs tors. theta energy: -111.218 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: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1368.612862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.612862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.612862 (E_RNA) where: Base-Base interactions energy: -791.371 where: short stacking energy: -406.203 Base-Backbone interact. energy: 2.068 local terms energy: -579.309944 where: bonds (distance) C4'-P energy: -153.691 bonds (distance) P-C4' energy: -152.208 flat angles C4'-P-C4' energy: -144.170 flat angles P-C4'-P energy: -68.723 tors. eta vs tors. theta energy: -60.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1073.355137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.355137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.355137 (E_RNA) where: Base-Base interactions energy: -541.631 where: short stacking energy: -291.067 Base-Backbone interact. energy: -2.038 local terms energy: -529.686107 where: bonds (distance) C4'-P energy: -162.016 bonds (distance) P-C4' energy: -137.413 flat angles C4'-P-C4' energy: -124.144 flat angles P-C4'-P energy: -80.451 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: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -971.860794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.860794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.860794 (E_RNA) where: Base-Base interactions energy: -500.185 where: short stacking energy: -244.335 Base-Backbone interact. energy: -5.083 local terms energy: -466.591982 where: bonds (distance) C4'-P energy: -141.719 bonds (distance) P-C4' energy: -162.391 flat angles C4'-P-C4' energy: -110.029 flat angles P-C4'-P energy: -67.527 tors. eta vs tors. theta energy: 15.074 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: 184 Temperature: 0.900000 Total energy: -3087.814591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.814591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.814591 (E_RNA) where: Base-Base interactions energy: -2100.972 where: short stacking energy: -958.582 Base-Backbone interact. energy: -2.064 local terms energy: -984.779256 where: bonds (distance) C4'-P energy: -174.392 bonds (distance) P-C4' energy: -182.945 flat angles C4'-P-C4' energy: -211.449 flat angles P-C4'-P energy: -137.232 tors. eta vs tors. theta energy: -278.761 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: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2952.901095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.901095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.901095 (E_RNA) where: Base-Base interactions energy: -1964.949 where: short stacking energy: -908.315 Base-Backbone interact. energy: -3.946 local terms energy: -984.006083 where: bonds (distance) C4'-P energy: -184.602 bonds (distance) P-C4' energy: -182.074 flat angles C4'-P-C4' energy: -209.108 flat angles P-C4'-P energy: -128.291 tors. eta vs tors. theta energy: -279.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2720.932448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.932448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.932448 (E_RNA) where: Base-Base interactions energy: -1843.725 where: short stacking energy: -819.011 Base-Backbone interact. energy: -2.225 local terms energy: -874.981636 where: bonds (distance) C4'-P energy: -169.450 bonds (distance) P-C4' energy: -175.238 flat angles C4'-P-C4' energy: -198.256 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -217.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2605.523843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.523843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.523843 (E_RNA) where: Base-Base interactions energy: -1772.850 where: short stacking energy: -779.796 Base-Backbone interact. energy: -1.618 local terms energy: -831.056593 where: bonds (distance) C4'-P energy: -138.756 bonds (distance) P-C4' energy: -167.035 flat angles C4'-P-C4' energy: -189.258 flat angles P-C4'-P energy: -117.389 tors. eta vs tors. theta energy: -218.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2459.438937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.438937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.438937 (E_RNA) where: Base-Base interactions energy: -1625.538 where: short stacking energy: -701.945 Base-Backbone interact. energy: -0.566 local terms energy: -833.335260 where: bonds (distance) C4'-P energy: -145.301 bonds (distance) P-C4' energy: -171.369 flat angles C4'-P-C4' energy: -193.290 flat angles P-C4'-P energy: -130.189 tors. eta vs tors. theta energy: -193.185 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: 184 Temperature: 1.150000 Total energy: -2316.637257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.637257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.637257 (E_RNA) where: Base-Base interactions energy: -1507.925 where: short stacking energy: -721.893 Base-Backbone interact. energy: 1.099 local terms energy: -809.811427 where: bonds (distance) C4'-P energy: -144.137 bonds (distance) P-C4' energy: -179.875 flat angles C4'-P-C4' energy: -175.335 flat angles P-C4'-P energy: -126.847 tors. eta vs tors. theta energy: -183.617 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: 184 Temperature: 1.200000 Total energy: -1745.277479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.277479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.277479 (E_RNA) where: Base-Base interactions energy: -1073.760 where: short stacking energy: -511.369 Base-Backbone interact. energy: -3.715 local terms energy: -667.802908 where: bonds (distance) C4'-P energy: -129.776 bonds (distance) P-C4' energy: -141.944 flat angles C4'-P-C4' energy: -177.327 flat angles P-C4'-P energy: -115.552 tors. eta vs tors. theta energy: -103.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1472.196179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.196179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.196179 (E_RNA) where: Base-Base interactions energy: -836.530 where: short stacking energy: -429.396 Base-Backbone interact. energy: 1.241 local terms energy: -636.907080 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -144.683 flat angles C4'-P-C4' energy: -159.680 flat angles P-C4'-P energy: -108.934 tors. eta vs tors. theta energy: -74.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1131.774552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.774552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.774552 (E_RNA) where: Base-Base interactions energy: -561.593 where: short stacking energy: -332.540 Base-Backbone interact. energy: 4.913 local terms energy: -575.094801 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -174.908 flat angles C4'-P-C4' energy: -139.355 flat angles P-C4'-P energy: -90.836 tors. eta vs tors. theta energy: -26.867 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: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1004.125703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.125703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.125703 (E_RNA) where: Base-Base interactions energy: -515.608 where: short stacking energy: -310.451 Base-Backbone interact. energy: 8.453 local terms energy: -496.970682 where: bonds (distance) C4'-P energy: -148.336 bonds (distance) P-C4' energy: -168.186 flat angles C4'-P-C4' energy: -135.750 flat angles P-C4'-P energy: -53.782 tors. eta vs tors. theta energy: 9.084 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: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3061.072937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.072937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.072937 (E_RNA) where: Base-Base interactions energy: -2069.544 where: short stacking energy: -933.930 Base-Backbone interact. energy: -1.968 local terms energy: -989.560749 where: bonds (distance) C4'-P energy: -173.893 bonds (distance) P-C4' energy: -189.406 flat angles C4'-P-C4' energy: -219.930 flat angles P-C4'-P energy: -142.957 tors. eta vs tors. theta energy: -263.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2983.513633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.513633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.513633 (E_RNA) where: Base-Base interactions energy: -2013.422 where: short stacking energy: -949.330 Base-Backbone interact. energy: -3.248 local terms energy: -966.844453 where: bonds (distance) C4'-P energy: -162.475 bonds (distance) P-C4' energy: -196.577 flat angles C4'-P-C4' energy: -195.703 flat angles P-C4'-P energy: -130.004 tors. eta vs tors. theta energy: -282.084 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: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2715.339446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.339446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.339446 (E_RNA) where: Base-Base interactions energy: -1837.733 where: short stacking energy: -821.039 Base-Backbone interact. energy: -1.563 local terms energy: -876.042801 where: bonds (distance) C4'-P energy: -179.174 bonds (distance) P-C4' energy: -187.420 flat angles C4'-P-C4' energy: -186.320 flat angles P-C4'-P energy: -119.533 tors. eta vs tors. theta energy: -203.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2604.634054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.634054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.634054 (E_RNA) where: Base-Base interactions energy: -1695.276 where: short stacking energy: -804.846 Base-Backbone interact. energy: 3.606 local terms energy: -912.963899 where: bonds (distance) C4'-P energy: -170.609 bonds (distance) P-C4' energy: -178.665 flat angles C4'-P-C4' energy: -203.592 flat angles P-C4'-P energy: -128.394 tors. eta vs tors. theta energy: -231.704 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: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2454.518961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.518961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.518961 (E_RNA) where: Base-Base interactions energy: -1610.423 where: short stacking energy: -702.979 Base-Backbone interact. energy: -1.670 local terms energy: -842.425774 where: bonds (distance) C4'-P energy: -164.574 bonds (distance) P-C4' energy: -169.052 flat angles C4'-P-C4' energy: -188.807 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -196.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2317.790783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.790783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.790783 (E_RNA) where: Base-Base interactions energy: -1544.024 where: short stacking energy: -754.156 Base-Backbone interact. energy: 0.457 local terms energy: -774.223624 where: bonds (distance) C4'-P energy: -140.435 bonds (distance) P-C4' energy: -138.831 flat angles C4'-P-C4' energy: -179.668 flat angles P-C4'-P energy: -119.960 tors. eta vs tors. theta energy: -195.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1742.882418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.882418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.882418 (E_RNA) where: Base-Base interactions energy: -1055.632 where: short stacking energy: -513.448 Base-Backbone interact. energy: -2.085 local terms energy: -685.165565 where: bonds (distance) C4'-P energy: -155.645 bonds (distance) P-C4' energy: -163.664 flat angles C4'-P-C4' energy: -158.450 flat angles P-C4'-P energy: -93.848 tors. eta vs tors. theta energy: -113.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1520.724859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.724859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.724859 (E_RNA) where: Base-Base interactions energy: -894.848 where: short stacking energy: -471.296 Base-Backbone interact. energy: -0.519 local terms energy: -625.357594 where: bonds (distance) C4'-P energy: -125.458 bonds (distance) P-C4' energy: -150.057 flat angles C4'-P-C4' energy: -161.978 flat angles P-C4'-P energy: -111.919 tors. eta vs tors. theta energy: -75.946 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: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1059.345409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.345409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.345409 (E_RNA) where: Base-Base interactions energy: -540.809 where: short stacking energy: -287.468 Base-Backbone interact. energy: -6.438 local terms energy: -512.098634 where: bonds (distance) C4'-P energy: -125.690 bonds (distance) P-C4' energy: -164.157 flat angles C4'-P-C4' energy: -142.842 flat angles P-C4'-P energy: -74.841 tors. eta vs tors. theta energy: -4.568 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: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -930.028323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.028323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.028323 (E_RNA) where: Base-Base interactions energy: -524.739 where: short stacking energy: -285.192 Base-Backbone interact. energy: 7.313 local terms energy: -412.602150 where: bonds (distance) C4'-P energy: -129.828 bonds (distance) P-C4' energy: -145.327 flat angles C4'-P-C4' energy: -108.673 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: 13.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3070.489470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.489470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.489470 (E_RNA) where: Base-Base interactions energy: -2049.694 where: short stacking energy: -957.550 Base-Backbone interact. energy: -2.340 local terms energy: -1018.454965 where: bonds (distance) C4'-P energy: -192.230 bonds (distance) P-C4' energy: -178.146 flat angles C4'-P-C4' energy: -214.887 flat angles P-C4'-P energy: -146.544 tors. eta vs tors. theta energy: -286.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2984.713321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.713321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.713321 (E_RNA) where: Base-Base interactions energy: -2018.119 where: short stacking energy: -939.025 Base-Backbone interact. energy: -1.672 local terms energy: -964.922321 where: bonds (distance) C4'-P energy: -165.945 bonds (distance) P-C4' energy: -191.162 flat angles C4'-P-C4' energy: -219.331 flat angles P-C4'-P energy: -117.139 tors. eta vs tors. theta energy: -271.345 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: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2698.753653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.753653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.753653 (E_RNA) where: Base-Base interactions energy: -1767.525 where: short stacking energy: -846.487 Base-Backbone interact. energy: -0.691 local terms energy: -930.537553 where: bonds (distance) C4'-P energy: -167.102 bonds (distance) P-C4' energy: -184.427 flat angles C4'-P-C4' energy: -202.250 flat angles P-C4'-P energy: -129.487 tors. eta vs tors. theta energy: -247.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2593.317572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.317572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.317572 (E_RNA) where: Base-Base interactions energy: -1773.825 where: short stacking energy: -796.564 Base-Backbone interact. energy: 0.992 local terms energy: -820.483729 where: bonds (distance) C4'-P energy: -152.984 bonds (distance) P-C4' energy: -169.602 flat angles C4'-P-C4' energy: -181.355 flat angles P-C4'-P energy: -109.157 tors. eta vs tors. theta energy: -207.386 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: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2475.120936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.120936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.120936 (E_RNA) where: Base-Base interactions energy: -1642.722 where: short stacking energy: -732.440 Base-Backbone interact. energy: -4.366 local terms energy: -828.032590 where: bonds (distance) C4'-P energy: -165.587 bonds (distance) P-C4' energy: -173.875 flat angles C4'-P-C4' energy: -183.100 flat angles P-C4'-P energy: -116.335 tors. eta vs tors. theta energy: -189.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2316.405383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.405383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.405383 (E_RNA) where: Base-Base interactions energy: -1505.223 where: short stacking energy: -698.259 Base-Backbone interact. energy: -1.652 local terms energy: -809.530317 where: bonds (distance) C4'-P energy: -166.621 bonds (distance) P-C4' energy: -157.698 flat angles C4'-P-C4' energy: -189.058 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -191.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1743.117764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.117764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.117764 (E_RNA) where: Base-Base interactions energy: -1096.039 where: short stacking energy: -507.640 Base-Backbone interact. energy: 14.510 local terms energy: -661.588063 where: bonds (distance) C4'-P energy: -153.167 bonds (distance) P-C4' energy: -173.999 flat angles C4'-P-C4' energy: -160.695 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -95.649 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: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1476.249479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.249479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.249479 (E_RNA) where: Base-Base interactions energy: -881.512 where: short stacking energy: -439.699 Base-Backbone interact. energy: -4.114 local terms energy: -590.623101 where: bonds (distance) C4'-P energy: -141.604 bonds (distance) P-C4' energy: -161.159 flat angles C4'-P-C4' energy: -148.716 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -47.727 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: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1089.976478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.976478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.976478 (E_RNA) where: Base-Base interactions energy: -592.980 where: short stacking energy: -328.611 Base-Backbone interact. energy: -0.914 local terms energy: -496.082146 where: bonds (distance) C4'-P energy: -140.472 bonds (distance) P-C4' energy: -149.475 flat angles C4'-P-C4' energy: -126.985 flat angles P-C4'-P energy: -73.298 tors. eta vs tors. theta energy: -5.852 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: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -920.363556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.363556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.363556 (E_RNA) where: Base-Base interactions energy: -491.491 where: short stacking energy: -274.944 Base-Backbone interact. energy: 8.878 local terms energy: -437.750034 where: bonds (distance) C4'-P energy: -137.958 bonds (distance) P-C4' energy: -138.119 flat angles C4'-P-C4' energy: -117.083 flat angles P-C4'-P energy: -54.068 tors. eta vs tors. theta energy: 9.477 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: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3100.763995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.763995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.763995 (E_RNA) where: Base-Base interactions energy: -2078.188 where: short stacking energy: -943.515 Base-Backbone interact. energy: -1.091 local terms energy: -1021.484516 where: bonds (distance) C4'-P energy: -193.731 bonds (distance) P-C4' energy: -169.439 flat angles C4'-P-C4' energy: -216.641 flat angles P-C4'-P energy: -163.725 tors. eta vs tors. theta energy: -277.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2919.008527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.008527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.008527 (E_RNA) where: Base-Base interactions energy: -1959.973 where: short stacking energy: -876.044 Base-Backbone interact. energy: -4.542 local terms energy: -954.493370 where: bonds (distance) C4'-P energy: -180.660 bonds (distance) P-C4' energy: -188.602 flat angles C4'-P-C4' energy: -202.224 flat angles P-C4'-P energy: -130.360 tors. eta vs tors. theta energy: -252.647 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: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2684.740778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.740778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.740778 (E_RNA) where: Base-Base interactions energy: -1753.543 where: short stacking energy: -840.586 Base-Backbone interact. energy: -1.192 local terms energy: -930.005999 where: bonds (distance) C4'-P energy: -164.650 bonds (distance) P-C4' energy: -181.205 flat angles C4'-P-C4' energy: -212.510 flat angles P-C4'-P energy: -129.688 tors. eta vs tors. theta energy: -241.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2598.972191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.972191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.972191 (E_RNA) where: Base-Base interactions energy: -1764.791 where: short stacking energy: -770.093 Base-Backbone interact. energy: 5.951 local terms energy: -840.132503 where: bonds (distance) C4'-P energy: -166.384 bonds (distance) P-C4' energy: -159.909 flat angles C4'-P-C4' energy: -199.221 flat angles P-C4'-P energy: -109.715 tors. eta vs tors. theta energy: -204.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2504.901794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.901794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.901794 (E_RNA) where: Base-Base interactions energy: -1655.601 where: short stacking energy: -730.143 Base-Backbone interact. energy: -4.525 local terms energy: -844.775323 where: bonds (distance) C4'-P energy: -167.095 bonds (distance) P-C4' energy: -165.533 flat angles C4'-P-C4' energy: -189.450 flat angles P-C4'-P energy: -123.581 tors. eta vs tors. theta energy: -199.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2242.989702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.989702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.989702 (E_RNA) where: Base-Base interactions energy: -1452.278 where: short stacking energy: -694.791 Base-Backbone interact. energy: 0.031 local terms energy: -790.742221 where: bonds (distance) C4'-P energy: -138.339 bonds (distance) P-C4' energy: -162.284 flat angles C4'-P-C4' energy: -188.724 flat angles P-C4'-P energy: -125.907 tors. eta vs tors. theta energy: -175.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1759.775374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.775374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.775374 (E_RNA) where: Base-Base interactions energy: -1096.701 where: short stacking energy: -540.014 Base-Backbone interact. energy: 2.685 local terms energy: -665.758828 where: bonds (distance) C4'-P energy: -146.657 bonds (distance) P-C4' energy: -140.783 flat angles C4'-P-C4' energy: -164.990 flat angles P-C4'-P energy: -94.540 tors. eta vs tors. theta energy: -118.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1466.248937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.248937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.248937 (E_RNA) where: Base-Base interactions energy: -836.765 where: short stacking energy: -413.762 Base-Backbone interact. energy: 0.843 local terms energy: -630.327040 where: bonds (distance) C4'-P energy: -169.309 bonds (distance) P-C4' energy: -170.859 flat angles C4'-P-C4' energy: -148.961 flat angles P-C4'-P energy: -95.632 tors. eta vs tors. theta energy: -45.566 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: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1214.413564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.413564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.413564 (E_RNA) where: Base-Base interactions energy: -680.923 where: short stacking energy: -373.134 Base-Backbone interact. energy: -2.020 local terms energy: -531.470702 where: bonds (distance) C4'-P energy: -135.150 bonds (distance) P-C4' energy: -146.068 flat angles C4'-P-C4' energy: -117.140 flat angles P-C4'-P energy: -87.087 tors. eta vs tors. theta energy: -46.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -905.838334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.838334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.838334 (E_RNA) where: Base-Base interactions energy: -417.185 where: short stacking energy: -269.275 Base-Backbone interact. energy: -3.765 local terms energy: -484.887930 where: bonds (distance) C4'-P energy: -133.734 bonds (distance) P-C4' energy: -153.320 flat angles C4'-P-C4' energy: -122.789 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -1.613 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: 1, replica: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3075.297591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.297591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.297591 (E_RNA) where: Base-Base interactions energy: -2062.120 where: short stacking energy: -927.513 Base-Backbone interact. energy: -3.410 local terms energy: -1009.767570 where: bonds (distance) C4'-P energy: -187.870 bonds (distance) P-C4' energy: -190.059 flat angles C4'-P-C4' energy: -208.029 flat angles P-C4'-P energy: -153.106 tors. eta vs tors. theta energy: -270.704 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: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2956.453301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.453301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.453301 (E_RNA) where: Base-Base interactions energy: -1984.122 where: short stacking energy: -906.380 Base-Backbone interact. energy: -2.956 local terms energy: -969.375694 where: bonds (distance) C4'-P energy: -171.760 bonds (distance) P-C4' energy: -173.726 flat angles C4'-P-C4' energy: -208.761 flat angles P-C4'-P energy: -137.738 tors. eta vs tors. theta energy: -277.390 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: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2711.969842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.969842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.969842 (E_RNA) where: Base-Base interactions energy: -1786.668 where: short stacking energy: -844.245 Base-Backbone interact. energy: -2.994 local terms energy: -922.308268 where: bonds (distance) C4'-P energy: -168.287 bonds (distance) P-C4' energy: -164.172 flat angles C4'-P-C4' energy: -207.997 flat angles P-C4'-P energy: -144.332 tors. eta vs tors. theta energy: -237.520 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: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2605.451563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.451563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.451563 (E_RNA) where: Base-Base interactions energy: -1747.297 where: short stacking energy: -771.048 Base-Backbone interact. energy: 0.551 local terms energy: -858.706496 where: bonds (distance) C4'-P energy: -165.957 bonds (distance) P-C4' energy: -175.998 flat angles C4'-P-C4' energy: -193.981 flat angles P-C4'-P energy: -104.632 tors. eta vs tors. theta energy: -218.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2455.382987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.382987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.382987 (E_RNA) where: Base-Base interactions energy: -1648.634 where: short stacking energy: -740.856 Base-Backbone interact. energy: -0.928 local terms energy: -805.821562 where: bonds (distance) C4'-P energy: -141.507 bonds (distance) P-C4' energy: -178.829 flat angles C4'-P-C4' energy: -166.368 flat angles P-C4'-P energy: -113.350 tors. eta vs tors. theta energy: -205.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2248.791671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.791671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.791671 (E_RNA) where: Base-Base interactions energy: -1456.950 where: short stacking energy: -684.438 Base-Backbone interact. energy: 0.453 local terms energy: -792.294765 where: bonds (distance) C4'-P energy: -144.417 bonds (distance) P-C4' energy: -168.440 flat angles C4'-P-C4' energy: -197.203 flat angles P-C4'-P energy: -100.891 tors. eta vs tors. theta energy: -181.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1742.824643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.824643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.824643 (E_RNA) where: Base-Base interactions energy: -1092.445 where: short stacking energy: -494.107 Base-Backbone interact. energy: -3.762 local terms energy: -646.617901 where: bonds (distance) C4'-P energy: -158.307 bonds (distance) P-C4' energy: -136.933 flat angles C4'-P-C4' energy: -148.120 flat angles P-C4'-P energy: -101.437 tors. eta vs tors. theta energy: -101.822 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: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1465.824570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.824570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.824570 (E_RNA) where: Base-Base interactions energy: -855.287 where: short stacking energy: -439.907 Base-Backbone interact. energy: -0.669 local terms energy: -609.868751 where: bonds (distance) C4'-P energy: -145.708 bonds (distance) P-C4' energy: -165.571 flat angles C4'-P-C4' energy: -147.224 flat angles P-C4'-P energy: -92.551 tors. eta vs tors. theta energy: -58.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1202.699645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.699645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.699645 (E_RNA) where: Base-Base interactions energy: -641.117 where: short stacking energy: -323.945 Base-Backbone interact. energy: 4.007 local terms energy: -565.589337 where: bonds (distance) C4'-P energy: -146.930 bonds (distance) P-C4' energy: -177.356 flat angles C4'-P-C4' energy: -130.910 flat angles P-C4'-P energy: -94.237 tors. eta vs tors. theta energy: -16.158 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: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -854.437184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.437184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.437184 (E_RNA) where: Base-Base interactions energy: -381.737 where: short stacking energy: -235.573 Base-Backbone interact. energy: -2.104 local terms energy: -470.595850 where: bonds (distance) C4'-P energy: -127.518 bonds (distance) P-C4' energy: -143.097 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -77.857 tors. eta vs tors. theta energy: 9.665 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: 189 Temperature: 0.900000 Total energy: -3078.450228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.450228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.450228 (E_RNA) where: Base-Base interactions energy: -2085.854 where: short stacking energy: -940.128 Base-Backbone interact. energy: -2.714 local terms energy: -989.882307 where: bonds (distance) C4'-P energy: -173.263 bonds (distance) P-C4' energy: -195.606 flat angles C4'-P-C4' energy: -208.787 flat angles P-C4'-P energy: -143.943 tors. eta vs tors. theta energy: -268.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2960.007591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.007591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.007591 (E_RNA) where: Base-Base interactions energy: -1987.036 where: short stacking energy: -928.061 Base-Backbone interact. energy: -6.111 local terms energy: -966.860127 where: bonds (distance) C4'-P energy: -169.672 bonds (distance) P-C4' energy: -188.156 flat angles C4'-P-C4' energy: -199.232 flat angles P-C4'-P energy: -125.156 tors. eta vs tors. theta energy: -284.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2704.796514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.796514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.796514 (E_RNA) where: Base-Base interactions energy: -1801.337 where: short stacking energy: -856.868 Base-Backbone interact. energy: -3.485 local terms energy: -899.973913 where: bonds (distance) C4'-P energy: -168.167 bonds (distance) P-C4' energy: -186.786 flat angles C4'-P-C4' energy: -182.795 flat angles P-C4'-P energy: -121.181 tors. eta vs tors. theta energy: -241.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2591.292390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.292390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.292390 (E_RNA) where: Base-Base interactions energy: -1723.226 where: short stacking energy: -755.804 Base-Backbone interact. energy: -2.034 local terms energy: -866.032507 where: bonds (distance) C4'-P energy: -168.490 bonds (distance) P-C4' energy: -173.738 flat angles C4'-P-C4' energy: -189.862 flat angles P-C4'-P energy: -121.121 tors. eta vs tors. theta energy: -212.822 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: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2488.169072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.169072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.169072 (E_RNA) where: Base-Base interactions energy: -1654.574 where: short stacking energy: -760.680 Base-Backbone interact. energy: 0.445 local terms energy: -834.040309 where: bonds (distance) C4'-P energy: -161.586 bonds (distance) P-C4' energy: -176.648 flat angles C4'-P-C4' energy: -191.835 flat angles P-C4'-P energy: -92.751 tors. eta vs tors. theta energy: -211.220 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: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2279.908172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.908172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.908172 (E_RNA) where: Base-Base interactions energy: -1507.753 where: short stacking energy: -710.656 Base-Backbone interact. energy: 0.147 local terms energy: -772.302244 where: bonds (distance) C4'-P energy: -156.623 bonds (distance) P-C4' energy: -165.772 flat angles C4'-P-C4' energy: -164.845 flat angles P-C4'-P energy: -79.933 tors. eta vs tors. theta energy: -205.130 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: 189 Temperature: 1.200000 Total energy: -1741.954579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.954579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.954579 (E_RNA) where: Base-Base interactions energy: -1061.948 where: short stacking energy: -517.479 Base-Backbone interact. energy: 1.344 local terms energy: -681.350854 where: bonds (distance) C4'-P energy: -148.859 bonds (distance) P-C4' energy: -177.398 flat angles C4'-P-C4' energy: -153.064 flat angles P-C4'-P energy: -95.297 tors. eta vs tors. theta energy: -106.733 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: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1474.359540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.359540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.359540 (E_RNA) where: Base-Base interactions energy: -877.558 where: short stacking energy: -459.633 Base-Backbone interact. energy: 0.890 local terms energy: -597.691272 where: bonds (distance) C4'-P energy: -150.064 bonds (distance) P-C4' energy: -153.840 flat angles C4'-P-C4' energy: -149.427 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -49.949 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: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1196.199093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.199093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.199093 (E_RNA) where: Base-Base interactions energy: -662.818 where: short stacking energy: -365.705 Base-Backbone interact. energy: 0.725 local terms energy: -534.105602 where: bonds (distance) C4'-P energy: -152.986 bonds (distance) P-C4' energy: -159.406 flat angles C4'-P-C4' energy: -126.141 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: -41.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -923.403728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.403728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.403728 (E_RNA) where: Base-Base interactions energy: -450.175 where: short stacking energy: -244.641 Base-Backbone interact. energy: 4.016 local terms energy: -477.244607 where: bonds (distance) C4'-P energy: -154.899 bonds (distance) P-C4' energy: -160.180 flat angles C4'-P-C4' energy: -108.144 flat angles P-C4'-P energy: -81.823 tors. eta vs tors. theta energy: 27.801 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: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3084.704169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.704169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.704169 (E_RNA) where: Base-Base interactions energy: -2092.581 where: short stacking energy: -972.932 Base-Backbone interact. energy: -0.004 local terms energy: -992.118988 where: bonds (distance) C4'-P energy: -184.299 bonds (distance) P-C4' energy: -182.199 flat angles C4'-P-C4' energy: -206.952 flat angles P-C4'-P energy: -141.679 tors. eta vs tors. theta energy: -276.990 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: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2956.594180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.594180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.594180 (E_RNA) where: Base-Base interactions energy: -2007.850 where: short stacking energy: -888.225 Base-Backbone interact. energy: -3.883 local terms energy: -944.860591 where: bonds (distance) C4'-P energy: -165.780 bonds (distance) P-C4' energy: -186.646 flat angles C4'-P-C4' energy: -196.627 flat angles P-C4'-P energy: -134.520 tors. eta vs tors. theta energy: -261.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2693.936029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.936029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.936029 (E_RNA) where: Base-Base interactions energy: -1798.000 where: short stacking energy: -848.698 Base-Backbone interact. energy: -1.065 local terms energy: -894.871134 where: bonds (distance) C4'-P energy: -155.962 bonds (distance) P-C4' energy: -183.872 flat angles C4'-P-C4' energy: -184.001 flat angles P-C4'-P energy: -127.429 tors. eta vs tors. theta energy: -243.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2583.870779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.870779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.870779 (E_RNA) where: Base-Base interactions energy: -1752.484 where: short stacking energy: -810.710 Base-Backbone interact. energy: -0.311 local terms energy: -831.075368 where: bonds (distance) C4'-P energy: -155.078 bonds (distance) P-C4' energy: -170.316 flat angles C4'-P-C4' energy: -181.307 flat angles P-C4'-P energy: -108.990 tors. eta vs tors. theta energy: -215.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2493.535278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.535278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.535278 (E_RNA) where: Base-Base interactions energy: -1671.828 where: short stacking energy: -779.282 Base-Backbone interact. energy: -2.496 local terms energy: -819.211287 where: bonds (distance) C4'-P energy: -139.555 bonds (distance) P-C4' energy: -163.518 flat angles C4'-P-C4' energy: -197.022 flat angles P-C4'-P energy: -107.027 tors. eta vs tors. theta energy: -212.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2267.640619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.640619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.640619 (E_RNA) where: Base-Base interactions energy: -1483.314 where: short stacking energy: -706.620 Base-Backbone interact. energy: -2.138 local terms energy: -782.188668 where: bonds (distance) C4'-P energy: -141.526 bonds (distance) P-C4' energy: -156.215 flat angles C4'-P-C4' energy: -195.223 flat angles P-C4'-P energy: -108.335 tors. eta vs tors. theta energy: -180.889 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: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1698.553449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.553449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.553449 (E_RNA) where: Base-Base interactions energy: -1030.478 where: short stacking energy: -514.607 Base-Backbone interact. energy: -0.554 local terms energy: -667.521665 where: bonds (distance) C4'-P energy: -153.490 bonds (distance) P-C4' energy: -167.853 flat angles C4'-P-C4' energy: -156.909 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -102.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1473.341780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.341780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.341780 (E_RNA) where: Base-Base interactions energy: -869.500 where: short stacking energy: -419.156 Base-Backbone interact. energy: 5.088 local terms energy: -608.930096 where: bonds (distance) C4'-P energy: -158.370 bonds (distance) P-C4' energy: -142.196 flat angles C4'-P-C4' energy: -131.895 flat angles P-C4'-P energy: -96.034 tors. eta vs tors. theta energy: -80.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1234.838272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.838272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.838272 (E_RNA) where: Base-Base interactions energy: -707.687 where: short stacking energy: -376.160 Base-Backbone interact. energy: 0.602 local terms energy: -527.753841 where: bonds (distance) C4'-P energy: -161.118 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -133.340 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -30.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -928.212567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.212567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.212567 (E_RNA) where: Base-Base interactions energy: -464.204 where: short stacking energy: -260.458 Base-Backbone interact. energy: 9.997 local terms energy: -474.005785 where: bonds (distance) C4'-P energy: -141.420 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -103.312 flat angles P-C4'-P energy: -83.059 tors. eta vs tors. theta energy: -5.128 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: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3103.554671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.554671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.554671 (E_RNA) where: Base-Base interactions energy: -2095.875 where: short stacking energy: -977.965 Base-Backbone interact. energy: -4.329 local terms energy: -1003.350659 where: bonds (distance) C4'-P energy: -196.943 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -207.211 flat angles P-C4'-P energy: -135.930 tors. eta vs tors. theta energy: -289.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -3033.996872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.996872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.996872 (E_RNA) where: Base-Base interactions energy: -2058.038 where: short stacking energy: -923.141 Base-Backbone interact. energy: -0.917 local terms energy: -975.041730 where: bonds (distance) C4'-P energy: -163.363 bonds (distance) P-C4' energy: -190.231 flat angles C4'-P-C4' energy: -220.171 flat angles P-C4'-P energy: -126.889 tors. eta vs tors. theta energy: -274.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2712.049136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.049136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.049136 (E_RNA) where: Base-Base interactions energy: -1758.116 where: short stacking energy: -800.860 Base-Backbone interact. energy: -0.979 local terms energy: -952.953821 where: bonds (distance) C4'-P energy: -197.761 bonds (distance) P-C4' energy: -177.524 flat angles C4'-P-C4' energy: -192.213 flat angles P-C4'-P energy: -145.943 tors. eta vs tors. theta energy: -239.513 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: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2569.027224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.027224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.027224 (E_RNA) where: Base-Base interactions energy: -1763.463 where: short stacking energy: -813.380 Base-Backbone interact. energy: 1.959 local terms energy: -807.522764 where: bonds (distance) C4'-P energy: -134.594 bonds (distance) P-C4' energy: -169.011 flat angles C4'-P-C4' energy: -185.149 flat angles P-C4'-P energy: -102.693 tors. eta vs tors. theta energy: -216.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2573.541695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.541695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.541695 (E_RNA) where: Base-Base interactions energy: -1705.719 where: short stacking energy: -814.065 Base-Backbone interact. energy: -3.667 local terms energy: -864.156345 where: bonds (distance) C4'-P energy: -172.455 bonds (distance) P-C4' energy: -165.022 flat angles C4'-P-C4' energy: -197.235 flat angles P-C4'-P energy: -123.260 tors. eta vs tors. theta energy: -206.185 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: 191 Temperature: 1.150000 Total energy: -2324.344082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.344082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.344082 (E_RNA) where: Base-Base interactions energy: -1485.022 where: short stacking energy: -694.723 Base-Backbone interact. energy: -4.761 local terms energy: -834.561268 where: bonds (distance) C4'-P energy: -168.487 bonds (distance) P-C4' energy: -156.643 flat angles C4'-P-C4' energy: -191.218 flat angles P-C4'-P energy: -128.501 tors. eta vs tors. theta energy: -189.712 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: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1752.166458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.166458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.166458 (E_RNA) where: Base-Base interactions energy: -1100.913 where: short stacking energy: -514.525 Base-Backbone interact. energy: -0.553 local terms energy: -650.699732 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -154.131 flat angles C4'-P-C4' energy: -167.032 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -90.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1443.849547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.849547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.849547 (E_RNA) where: Base-Base interactions energy: -816.728 where: short stacking energy: -405.340 Base-Backbone interact. energy: -2.746 local terms energy: -624.376147 where: bonds (distance) C4'-P energy: -158.266 bonds (distance) P-C4' energy: -167.499 flat angles C4'-P-C4' energy: -148.702 flat angles P-C4'-P energy: -87.354 tors. eta vs tors. theta energy: -62.555 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: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1164.141556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.141556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.141556 (E_RNA) where: Base-Base interactions energy: -613.442 where: short stacking energy: -366.539 Base-Backbone interact. energy: -1.681 local terms energy: -549.018818 where: bonds (distance) C4'-P energy: -140.522 bonds (distance) P-C4' energy: -130.810 flat angles C4'-P-C4' energy: -136.260 flat angles P-C4'-P energy: -88.116 tors. eta vs tors. theta energy: -53.311 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: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -885.162054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.162054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.162054 (E_RNA) where: Base-Base interactions energy: -386.304 where: short stacking energy: -254.804 Base-Backbone interact. energy: -3.375 local terms energy: -495.483231 where: bonds (distance) C4'-P energy: -136.987 bonds (distance) P-C4' energy: -169.395 flat angles C4'-P-C4' energy: -105.088 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: 0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3092.405295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.405295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.405295 (E_RNA) where: Base-Base interactions energy: -2107.729 where: short stacking energy: -979.933 Base-Backbone interact. energy: -4.699 local terms energy: -979.977876 where: bonds (distance) C4'-P energy: -184.931 bonds (distance) P-C4' energy: -162.256 flat angles C4'-P-C4' energy: -216.958 flat angles P-C4'-P energy: -140.064 tors. eta vs tors. theta energy: -275.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2955.019058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.019058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.019058 (E_RNA) where: Base-Base interactions energy: -1991.225 where: short stacking energy: -892.589 Base-Backbone interact. energy: -5.764 local terms energy: -958.029823 where: bonds (distance) C4'-P energy: -177.032 bonds (distance) P-C4' energy: -177.960 flat angles C4'-P-C4' energy: -213.328 flat angles P-C4'-P energy: -130.424 tors. eta vs tors. theta energy: -259.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2689.684499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.684499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.684499 (E_RNA) where: Base-Base interactions energy: -1793.395 where: short stacking energy: -853.536 Base-Backbone interact. energy: -2.597 local terms energy: -893.692179 where: bonds (distance) C4'-P energy: -162.637 bonds (distance) P-C4' energy: -171.720 flat angles C4'-P-C4' energy: -187.416 flat angles P-C4'-P energy: -127.474 tors. eta vs tors. theta energy: -244.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2610.980612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.980612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.980612 (E_RNA) where: Base-Base interactions energy: -1769.075 where: short stacking energy: -775.474 Base-Backbone interact. energy: -2.902 local terms energy: -839.002951 where: bonds (distance) C4'-P energy: -161.755 bonds (distance) P-C4' energy: -162.802 flat angles C4'-P-C4' energy: -189.424 flat angles P-C4'-P energy: -118.092 tors. eta vs tors. theta energy: -206.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2529.429180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.429180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.429180 (E_RNA) where: Base-Base interactions energy: -1659.039 where: short stacking energy: -753.698 Base-Backbone interact. energy: -1.687 local terms energy: -868.703629 where: bonds (distance) C4'-P energy: -157.489 bonds (distance) P-C4' energy: -188.933 flat angles C4'-P-C4' energy: -191.040 flat angles P-C4'-P energy: -124.418 tors. eta vs tors. theta energy: -206.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2234.688148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.688148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.688148 (E_RNA) where: Base-Base interactions energy: -1472.202 where: short stacking energy: -678.950 Base-Backbone interact. energy: -3.674 local terms energy: -758.813056 where: bonds (distance) C4'-P energy: -154.186 bonds (distance) P-C4' energy: -159.068 flat angles C4'-P-C4' energy: -171.528 flat angles P-C4'-P energy: -96.621 tors. eta vs tors. theta energy: -177.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1646.829229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.829229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.829229 (E_RNA) where: Base-Base interactions energy: -1011.934 where: short stacking energy: -460.652 Base-Backbone interact. energy: -2.995 local terms energy: -631.901003 where: bonds (distance) C4'-P energy: -139.232 bonds (distance) P-C4' energy: -158.549 flat angles C4'-P-C4' energy: -162.406 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -88.151 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: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1518.878856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.878856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.878856 (E_RNA) where: Base-Base interactions energy: -876.751 where: short stacking energy: -420.480 Base-Backbone interact. energy: 5.896 local terms energy: -648.023487 where: bonds (distance) C4'-P energy: -160.529 bonds (distance) P-C4' energy: -132.066 flat angles C4'-P-C4' energy: -176.463 flat angles P-C4'-P energy: -115.478 tors. eta vs tors. theta energy: -63.486 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: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1172.099567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.099567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.099567 (E_RNA) where: Base-Base interactions energy: -644.603 where: short stacking energy: -358.977 Base-Backbone interact. energy: -0.785 local terms energy: -526.711619 where: bonds (distance) C4'-P energy: -137.340 bonds (distance) P-C4' energy: -157.121 flat angles C4'-P-C4' energy: -155.664 flat angles P-C4'-P energy: -52.272 tors. eta vs tors. theta energy: -24.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -899.994598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.994598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.994598 (E_RNA) where: Base-Base interactions energy: -439.810 where: short stacking energy: -240.785 Base-Backbone interact. energy: 1.724 local terms energy: -461.908749 where: bonds (distance) C4'-P energy: -143.146 bonds (distance) P-C4' energy: -131.193 flat angles C4'-P-C4' energy: -125.389 flat angles P-C4'-P energy: -83.732 tors. eta vs tors. theta energy: 21.551 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: 1, replica: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3073.165592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.165592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.165592 (E_RNA) where: Base-Base interactions energy: -2063.605 where: short stacking energy: -968.963 Base-Backbone interact. energy: -3.948 local terms energy: -1005.613154 where: bonds (distance) C4'-P energy: -172.825 bonds (distance) P-C4' energy: -195.487 flat angles C4'-P-C4' energy: -202.619 flat angles P-C4'-P energy: -147.979 tors. eta vs tors. theta energy: -286.703 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: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2963.744911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.744911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.744911 (E_RNA) where: Base-Base interactions energy: -2006.928 where: short stacking energy: -876.158 Base-Backbone interact. energy: -8.386 local terms energy: -948.430798 where: bonds (distance) C4'-P energy: -180.644 bonds (distance) P-C4' energy: -164.774 flat angles C4'-P-C4' energy: -204.310 flat angles P-C4'-P energy: -143.228 tors. eta vs tors. theta energy: -255.475 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: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2743.717146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.717146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.717146 (E_RNA) where: Base-Base interactions energy: -1846.986 where: short stacking energy: -861.498 Base-Backbone interact. energy: -0.017 local terms energy: -896.714688 where: bonds (distance) C4'-P energy: -170.754 bonds (distance) P-C4' energy: -167.028 flat angles C4'-P-C4' energy: -202.831 flat angles P-C4'-P energy: -122.706 tors. eta vs tors. theta energy: -233.395 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: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2593.696815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.696815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.696815 (E_RNA) where: Base-Base interactions energy: -1721.909 where: short stacking energy: -764.295 Base-Backbone interact. energy: 3.537 local terms energy: -875.324554 where: bonds (distance) C4'-P energy: -182.494 bonds (distance) P-C4' energy: -168.108 flat angles C4'-P-C4' energy: -194.435 flat angles P-C4'-P energy: -126.655 tors. eta vs tors. theta energy: -203.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2510.758300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.758300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.758300 (E_RNA) where: Base-Base interactions energy: -1691.963 where: short stacking energy: -760.524 Base-Backbone interact. energy: -1.317 local terms energy: -817.478251 where: bonds (distance) C4'-P energy: -170.589 bonds (distance) P-C4' energy: -168.765 flat angles C4'-P-C4' energy: -158.456 flat angles P-C4'-P energy: -101.919 tors. eta vs tors. theta energy: -217.749 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: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2284.550377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.550377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.550377 (E_RNA) where: Base-Base interactions energy: -1475.200 where: short stacking energy: -695.935 Base-Backbone interact. energy: -3.216 local terms energy: -806.134557 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -175.538 flat angles C4'-P-C4' energy: -172.777 flat angles P-C4'-P energy: -112.922 tors. eta vs tors. theta energy: -193.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1665.777943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.777943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.777943 (E_RNA) where: Base-Base interactions energy: -1018.414 where: short stacking energy: -509.017 Base-Backbone interact. energy: 0.442 local terms energy: -647.805956 where: bonds (distance) C4'-P energy: -147.259 bonds (distance) P-C4' energy: -157.188 flat angles C4'-P-C4' energy: -155.232 flat angles P-C4'-P energy: -102.253 tors. eta vs tors. theta energy: -85.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1455.255839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.255839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.255839 (E_RNA) where: Base-Base interactions energy: -897.454 where: short stacking energy: -413.914 Base-Backbone interact. energy: -0.559 local terms energy: -557.242460 where: bonds (distance) C4'-P energy: -152.971 bonds (distance) P-C4' energy: -133.106 flat angles C4'-P-C4' energy: -144.775 flat angles P-C4'-P energy: -74.699 tors. eta vs tors. theta energy: -51.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1150.057305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.057305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.057305 (E_RNA) where: Base-Base interactions energy: -620.573 where: short stacking energy: -325.457 Base-Backbone interact. energy: -1.186 local terms energy: -528.298739 where: bonds (distance) C4'-P energy: -136.855 bonds (distance) P-C4' energy: -152.365 flat angles C4'-P-C4' energy: -141.246 flat angles P-C4'-P energy: -80.029 tors. eta vs tors. theta energy: -17.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -909.924910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.924910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.924910 (E_RNA) where: Base-Base interactions energy: -456.458 where: short stacking energy: -237.942 Base-Backbone interact. energy: -2.985 local terms energy: -450.481219 where: bonds (distance) C4'-P energy: -144.670 bonds (distance) P-C4' energy: -146.517 flat angles C4'-P-C4' energy: -120.587 flat angles P-C4'-P energy: -75.015 tors. eta vs tors. theta energy: 36.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3076.143946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.143946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.143946 (E_RNA) where: Base-Base interactions energy: -2068.950 where: short stacking energy: -972.029 Base-Backbone interact. energy: -2.615 local terms energy: -1004.579533 where: bonds (distance) C4'-P energy: -164.401 bonds (distance) P-C4' energy: -190.753 flat angles C4'-P-C4' energy: -219.653 flat angles P-C4'-P energy: -144.834 tors. eta vs tors. theta energy: -284.938 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2955.357714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.357714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.357714 (E_RNA) where: Base-Base interactions energy: -2010.727 where: short stacking energy: -894.333 Base-Backbone interact. energy: -1.886 local terms energy: -942.744245 where: bonds (distance) C4'-P energy: -169.514 bonds (distance) P-C4' energy: -179.262 flat angles C4'-P-C4' energy: -204.387 flat angles P-C4'-P energy: -117.035 tors. eta vs tors. theta energy: -272.547 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: 3, replica: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2811.139933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.139933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.139933 (E_RNA) where: Base-Base interactions energy: -1898.210 where: short stacking energy: -898.617 Base-Backbone interact. energy: -2.140 local terms energy: -910.789784 where: bonds (distance) C4'-P energy: -165.749 bonds (distance) P-C4' energy: -148.024 flat angles C4'-P-C4' energy: -197.507 flat angles P-C4'-P energy: -134.375 tors. eta vs tors. theta energy: -265.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2617.317360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.317360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.317360 (E_RNA) where: Base-Base interactions energy: -1757.069 where: short stacking energy: -811.755 Base-Backbone interact. energy: 4.291 local terms energy: -864.539371 where: bonds (distance) C4'-P energy: -149.686 bonds (distance) P-C4' energy: -173.717 flat angles C4'-P-C4' energy: -194.591 flat angles P-C4'-P energy: -128.057 tors. eta vs tors. theta energy: -218.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2528.255521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.255521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.255521 (E_RNA) where: Base-Base interactions energy: -1672.706 where: short stacking energy: -740.017 Base-Backbone interact. energy: 2.415 local terms energy: -857.964422 where: bonds (distance) C4'-P energy: -155.301 bonds (distance) P-C4' energy: -182.285 flat angles C4'-P-C4' energy: -184.193 flat angles P-C4'-P energy: -120.041 tors. eta vs tors. theta energy: -216.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2202.959119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.959119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.959119 (E_RNA) where: Base-Base interactions energy: -1417.466 where: short stacking energy: -685.032 Base-Backbone interact. energy: -1.732 local terms energy: -783.761463 where: bonds (distance) C4'-P energy: -159.867 bonds (distance) P-C4' energy: -170.997 flat angles C4'-P-C4' energy: -166.692 flat angles P-C4'-P energy: -121.528 tors. eta vs tors. theta energy: -164.678 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: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1778.805626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.805626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.805626 (E_RNA) where: Base-Base interactions energy: -1100.697 where: short stacking energy: -527.798 Base-Backbone interact. energy: -0.145 local terms energy: -677.963334 where: bonds (distance) C4'-P energy: -155.660 bonds (distance) P-C4' energy: -158.653 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -100.757 tors. eta vs tors. theta energy: -97.300 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: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1492.747872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.747872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.747872 (E_RNA) where: Base-Base interactions energy: -883.321 where: short stacking energy: -442.856 Base-Backbone interact. energy: -1.189 local terms energy: -608.237504 where: bonds (distance) C4'-P energy: -128.408 bonds (distance) P-C4' energy: -173.426 flat angles C4'-P-C4' energy: -151.807 flat angles P-C4'-P energy: -85.869 tors. eta vs tors. theta energy: -68.727 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: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1141.711953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.711953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.711953 (E_RNA) where: Base-Base interactions energy: -638.462 where: short stacking energy: -320.244 Base-Backbone interact. energy: 2.740 local terms energy: -505.990215 where: bonds (distance) C4'-P energy: -150.336 bonds (distance) P-C4' energy: -156.938 flat angles C4'-P-C4' energy: -99.435 flat angles P-C4'-P energy: -86.006 tors. eta vs tors. theta energy: -13.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -971.544803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.544803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.544803 (E_RNA) where: Base-Base interactions energy: -485.528 where: short stacking energy: -288.701 Base-Backbone interact. energy: 0.742 local terms energy: -486.759498 where: bonds (distance) C4'-P energy: -150.556 bonds (distance) P-C4' energy: -143.499 flat angles C4'-P-C4' energy: -135.722 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: 1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3114.705733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.705733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.705733 (E_RNA) where: Base-Base interactions energy: -2099.144 where: short stacking energy: -980.193 Base-Backbone interact. energy: -1.946 local terms energy: -1013.615913 where: bonds (distance) C4'-P energy: -179.632 bonds (distance) P-C4' energy: -188.698 flat angles C4'-P-C4' energy: -210.811 flat angles P-C4'-P energy: -142.894 tors. eta vs tors. theta energy: -291.581 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: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2960.632648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.632648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.632648 (E_RNA) where: Base-Base interactions energy: -1986.916 where: short stacking energy: -905.744 Base-Backbone interact. energy: -0.236 local terms energy: -973.480512 where: bonds (distance) C4'-P energy: -192.171 bonds (distance) P-C4' energy: -186.744 flat angles C4'-P-C4' energy: -199.120 flat angles P-C4'-P energy: -125.645 tors. eta vs tors. theta energy: -269.801 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: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2774.238746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.238746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.238746 (E_RNA) where: Base-Base interactions energy: -1859.223 where: short stacking energy: -865.254 Base-Backbone interact. energy: -0.871 local terms energy: -914.144419 where: bonds (distance) C4'-P energy: -177.161 bonds (distance) P-C4' energy: -161.010 flat angles C4'-P-C4' energy: -192.753 flat angles P-C4'-P energy: -132.030 tors. eta vs tors. theta energy: -251.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2590.779561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.779561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.779561 (E_RNA) where: Base-Base interactions energy: -1723.510 where: short stacking energy: -752.209 Base-Backbone interact. energy: -7.700 local terms energy: -859.570353 where: bonds (distance) C4'-P energy: -164.515 bonds (distance) P-C4' energy: -184.824 flat angles C4'-P-C4' energy: -194.631 flat angles P-C4'-P energy: -108.719 tors. eta vs tors. theta energy: -206.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2457.129148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.129148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.129148 (E_RNA) where: Base-Base interactions energy: -1624.526 where: short stacking energy: -743.846 Base-Backbone interact. energy: -3.038 local terms energy: -829.565777 where: bonds (distance) C4'-P energy: -140.344 bonds (distance) P-C4' energy: -165.335 flat angles C4'-P-C4' energy: -209.501 flat angles P-C4'-P energy: -117.559 tors. eta vs tors. theta energy: -196.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2284.436593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.436593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.436593 (E_RNA) where: Base-Base interactions energy: -1499.162 where: short stacking energy: -688.198 Base-Backbone interact. energy: -1.303 local terms energy: -783.971028 where: bonds (distance) C4'-P energy: -157.390 bonds (distance) P-C4' energy: -170.702 flat angles C4'-P-C4' energy: -179.248 flat angles P-C4'-P energy: -104.187 tors. eta vs tors. theta energy: -172.444 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: 195 Temperature: 1.200000 Total energy: -1763.387956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.387956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.387956 (E_RNA) where: Base-Base interactions energy: -1110.101 where: short stacking energy: -537.494 Base-Backbone interact. energy: 7.399 local terms energy: -660.685469 where: bonds (distance) C4'-P energy: -132.209 bonds (distance) P-C4' energy: -164.086 flat angles C4'-P-C4' energy: -155.299 flat angles P-C4'-P energy: -100.193 tors. eta vs tors. theta energy: -108.898 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: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1408.688309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.688309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.688309 (E_RNA) where: Base-Base interactions energy: -859.315 where: short stacking energy: -454.688 Base-Backbone interact. energy: 0.277 local terms energy: -549.649512 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -136.795 flat angles C4'-P-C4' energy: -129.395 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: -73.729 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: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1135.989916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.989916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.989916 (E_RNA) where: Base-Base interactions energy: -599.643 where: short stacking energy: -348.030 Base-Backbone interact. energy: -0.239 local terms energy: -536.107709 where: bonds (distance) C4'-P energy: -136.440 bonds (distance) P-C4' energy: -147.507 flat angles C4'-P-C4' energy: -131.503 flat angles P-C4'-P energy: -94.629 tors. eta vs tors. theta energy: -26.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -958.253143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.253143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.253143 (E_RNA) where: Base-Base interactions energy: -479.832 where: short stacking energy: -277.701 Base-Backbone interact. energy: -1.890 local terms energy: -476.530677 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -148.753 flat angles C4'-P-C4' energy: -128.072 flat angles P-C4'-P energy: -87.941 tors. eta vs tors. theta energy: 24.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3112.840424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.840424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.840424 (E_RNA) where: Base-Base interactions energy: -2088.221 where: short stacking energy: -958.264 Base-Backbone interact. energy: -2.679 local terms energy: -1021.940477 where: bonds (distance) C4'-P energy: -181.755 bonds (distance) P-C4' energy: -196.020 flat angles C4'-P-C4' energy: -210.426 flat angles P-C4'-P energy: -142.715 tors. eta vs tors. theta energy: -291.025 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: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2989.801321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.801321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.801321 (E_RNA) where: Base-Base interactions energy: -2027.514 where: short stacking energy: -886.979 Base-Backbone interact. energy: -7.252 local terms energy: -955.034822 where: bonds (distance) C4'-P energy: -177.763 bonds (distance) P-C4' energy: -177.283 flat angles C4'-P-C4' energy: -198.247 flat angles P-C4'-P energy: -135.668 tors. eta vs tors. theta energy: -266.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2801.582610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.582610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.582610 (E_RNA) where: Base-Base interactions energy: -1861.869 where: short stacking energy: -853.757 Base-Backbone interact. energy: -0.612 local terms energy: -939.101147 where: bonds (distance) C4'-P energy: -160.743 bonds (distance) P-C4' energy: -178.120 flat angles C4'-P-C4' energy: -207.571 flat angles P-C4'-P energy: -144.848 tors. eta vs tors. theta energy: -247.820 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: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2613.344643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.344643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.344643 (E_RNA) where: Base-Base interactions energy: -1777.901 where: short stacking energy: -775.392 Base-Backbone interact. energy: 2.400 local terms energy: -837.843825 where: bonds (distance) C4'-P energy: -154.072 bonds (distance) P-C4' energy: -176.012 flat angles C4'-P-C4' energy: -187.623 flat angles P-C4'-P energy: -107.515 tors. eta vs tors. theta energy: -212.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2471.072524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.072524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.072524 (E_RNA) where: Base-Base interactions energy: -1639.665 where: short stacking energy: -729.740 Base-Backbone interact. energy: -1.432 local terms energy: -829.974766 where: bonds (distance) C4'-P energy: -157.351 bonds (distance) P-C4' energy: -177.025 flat angles C4'-P-C4' energy: -201.822 flat angles P-C4'-P energy: -99.411 tors. eta vs tors. theta energy: -194.367 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: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2164.059479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.059479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.059479 (E_RNA) where: Base-Base interactions energy: -1440.500 where: short stacking energy: -694.200 Base-Backbone interact. energy: -3.470 local terms energy: -720.089634 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -149.249 flat angles C4'-P-C4' energy: -157.956 flat angles P-C4'-P energy: -108.630 tors. eta vs tors. theta energy: -173.276 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: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1832.433068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.433068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.433068 (E_RNA) where: Base-Base interactions energy: -1152.458 where: short stacking energy: -592.812 Base-Backbone interact. energy: -1.461 local terms energy: -678.514782 where: bonds (distance) C4'-P energy: -149.139 bonds (distance) P-C4' energy: -165.399 flat angles C4'-P-C4' energy: -147.143 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -136.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1380.746885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.746885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.746885 (E_RNA) where: Base-Base interactions energy: -821.314 where: short stacking energy: -400.279 Base-Backbone interact. energy: 2.038 local terms energy: -561.471182 where: bonds (distance) C4'-P energy: -117.103 bonds (distance) P-C4' energy: -154.440 flat angles C4'-P-C4' energy: -147.738 flat angles P-C4'-P energy: -87.476 tors. eta vs tors. theta energy: -54.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1080.693449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.693449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.693449 (E_RNA) where: Base-Base interactions energy: -578.240 where: short stacking energy: -336.094 Base-Backbone interact. energy: 6.011 local terms energy: -508.464349 where: bonds (distance) C4'-P energy: -108.275 bonds (distance) P-C4' energy: -153.168 flat angles C4'-P-C4' energy: -144.781 flat angles P-C4'-P energy: -72.699 tors. eta vs tors. theta energy: -29.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -841.362571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.362571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.362571 (E_RNA) where: Base-Base interactions energy: -384.982 where: short stacking energy: -221.894 Base-Backbone interact. energy: -1.933 local terms energy: -454.447228 where: bonds (distance) C4'-P energy: -136.537 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -135.925 flat angles P-C4'-P energy: -60.636 tors. eta vs tors. theta energy: 15.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3080.886799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.886799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.886799 (E_RNA) where: Base-Base interactions energy: -2097.278 where: short stacking energy: -963.305 Base-Backbone interact. energy: -2.177 local terms energy: -981.432334 where: bonds (distance) C4'-P energy: -185.380 bonds (distance) P-C4' energy: -155.273 flat angles C4'-P-C4' energy: -203.106 flat angles P-C4'-P energy: -158.732 tors. eta vs tors. theta energy: -278.941 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: 197 Temperature: 0.950000 Total energy: -3024.433063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.433063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.433063 (E_RNA) where: Base-Base interactions energy: -2039.594 where: short stacking energy: -898.983 Base-Backbone interact. energy: -7.443 local terms energy: -977.396242 where: bonds (distance) C4'-P energy: -181.457 bonds (distance) P-C4' energy: -185.836 flat angles C4'-P-C4' energy: -209.063 flat angles P-C4'-P energy: -136.157 tors. eta vs tors. theta energy: -264.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2794.805065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.805065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.805065 (E_RNA) where: Base-Base interactions energy: -1853.766 where: short stacking energy: -872.467 Base-Backbone interact. energy: -0.829 local terms energy: -940.210246 where: bonds (distance) C4'-P energy: -162.886 bonds (distance) P-C4' energy: -185.991 flat angles C4'-P-C4' energy: -202.948 flat angles P-C4'-P energy: -128.910 tors. eta vs tors. theta energy: -259.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2623.488400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.488400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.488400 (E_RNA) where: Base-Base interactions energy: -1753.757 where: short stacking energy: -765.927 Base-Backbone interact. energy: -3.121 local terms energy: -866.610135 where: bonds (distance) C4'-P energy: -160.083 bonds (distance) P-C4' energy: -176.254 flat angles C4'-P-C4' energy: -203.643 flat angles P-C4'-P energy: -114.903 tors. eta vs tors. theta energy: -211.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2485.576339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.576339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.576339 (E_RNA) where: Base-Base interactions energy: -1637.014 where: short stacking energy: -743.926 Base-Backbone interact. energy: -3.980 local terms energy: -844.582645 where: bonds (distance) C4'-P energy: -156.936 bonds (distance) P-C4' energy: -179.216 flat angles C4'-P-C4' energy: -190.823 flat angles P-C4'-P energy: -119.515 tors. eta vs tors. theta energy: -198.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2281.790494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.790494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.790494 (E_RNA) where: Base-Base interactions energy: -1484.951 where: short stacking energy: -709.122 Base-Backbone interact. energy: -0.946 local terms energy: -795.894048 where: bonds (distance) C4'-P energy: -150.820 bonds (distance) P-C4' energy: -162.446 flat angles C4'-P-C4' energy: -168.267 flat angles P-C4'-P energy: -114.163 tors. eta vs tors. theta energy: -200.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1833.148494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.148494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.148494 (E_RNA) where: Base-Base interactions energy: -1124.070 where: short stacking energy: -542.819 Base-Backbone interact. energy: -2.402 local terms energy: -706.675645 where: bonds (distance) C4'-P energy: -168.813 bonds (distance) P-C4' energy: -176.441 flat angles C4'-P-C4' energy: -159.665 flat angles P-C4'-P energy: -95.088 tors. eta vs tors. theta energy: -106.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1389.910215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.910215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.910215 (E_RNA) where: Base-Base interactions energy: -765.256 where: short stacking energy: -385.768 Base-Backbone interact. energy: 1.286 local terms energy: -625.939999 where: bonds (distance) C4'-P energy: -169.850 bonds (distance) P-C4' energy: -156.670 flat angles C4'-P-C4' energy: -146.257 flat angles P-C4'-P energy: -101.549 tors. eta vs tors. theta energy: -51.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1092.108264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.108264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.108264 (E_RNA) where: Base-Base interactions energy: -560.692 where: short stacking energy: -306.163 Base-Backbone interact. energy: -0.202 local terms energy: -531.214163 where: bonds (distance) C4'-P energy: -132.306 bonds (distance) P-C4' energy: -171.797 flat angles C4'-P-C4' energy: -125.431 flat angles P-C4'-P energy: -82.120 tors. eta vs tors. theta energy: -19.560 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: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -799.045508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.045508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.045508 (E_RNA) where: Base-Base interactions energy: -361.401 where: short stacking energy: -246.252 Base-Backbone interact. energy: -0.418 local terms energy: -437.226209 where: bonds (distance) C4'-P energy: -133.315 bonds (distance) P-C4' energy: -149.682 flat angles C4'-P-C4' energy: -115.769 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: 9.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3075.587845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.587845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.587845 (E_RNA) where: Base-Base interactions energy: -2082.313 where: short stacking energy: -965.415 Base-Backbone interact. energy: 1.261 local terms energy: -994.535728 where: bonds (distance) C4'-P energy: -180.076 bonds (distance) P-C4' energy: -188.492 flat angles C4'-P-C4' energy: -210.317 flat angles P-C4'-P energy: -132.843 tors. eta vs tors. theta energy: -282.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2948.321706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.321706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.321706 (E_RNA) where: Base-Base interactions energy: -2000.774 where: short stacking energy: -887.749 Base-Backbone interact. energy: -4.978 local terms energy: -942.570127 where: bonds (distance) C4'-P energy: -177.200 bonds (distance) P-C4' energy: -166.401 flat angles C4'-P-C4' energy: -221.374 flat angles P-C4'-P energy: -129.426 tors. eta vs tors. theta energy: -248.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2766.685683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.685683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.685683 (E_RNA) where: Base-Base interactions energy: -1838.626 where: short stacking energy: -864.566 Base-Backbone interact. energy: -1.511 local terms energy: -926.547980 where: bonds (distance) C4'-P energy: -177.146 bonds (distance) P-C4' energy: -175.289 flat angles C4'-P-C4' energy: -191.001 flat angles P-C4'-P energy: -132.249 tors. eta vs tors. theta energy: -250.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2593.216754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.216754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.216754 (E_RNA) where: Base-Base interactions energy: -1783.688 where: short stacking energy: -770.722 Base-Backbone interact. energy: 1.288 local terms energy: -810.816596 where: bonds (distance) C4'-P energy: -147.075 bonds (distance) P-C4' energy: -150.090 flat angles C4'-P-C4' energy: -188.600 flat angles P-C4'-P energy: -121.441 tors. eta vs tors. theta energy: -203.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2461.434387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.434387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.434387 (E_RNA) where: Base-Base interactions energy: -1657.078 where: short stacking energy: -706.263 Base-Backbone interact. energy: 2.396 local terms energy: -806.753176 where: bonds (distance) C4'-P energy: -159.603 bonds (distance) P-C4' energy: -168.508 flat angles C4'-P-C4' energy: -163.788 flat angles P-C4'-P energy: -116.662 tors. eta vs tors. theta energy: -198.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2221.082213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.082213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.082213 (E_RNA) where: Base-Base interactions energy: -1449.804 where: short stacking energy: -675.733 Base-Backbone interact. energy: 4.211 local terms energy: -775.489443 where: bonds (distance) C4'-P energy: -151.848 bonds (distance) P-C4' energy: -155.199 flat angles C4'-P-C4' energy: -186.294 flat angles P-C4'-P energy: -99.881 tors. eta vs tors. theta energy: -182.267 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: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1854.975875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.975875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.975875 (E_RNA) where: Base-Base interactions energy: -1147.851 where: short stacking energy: -579.083 Base-Backbone interact. energy: 0.018 local terms energy: -707.142512 where: bonds (distance) C4'-P energy: -154.042 bonds (distance) P-C4' energy: -171.413 flat angles C4'-P-C4' energy: -158.202 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -134.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1383.953244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.953244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.953244 (E_RNA) where: Base-Base interactions energy: -828.127 where: short stacking energy: -395.671 Base-Backbone interact. energy: 2.592 local terms energy: -558.417940 where: bonds (distance) C4'-P energy: -142.129 bonds (distance) P-C4' energy: -144.495 flat angles C4'-P-C4' energy: -146.467 flat angles P-C4'-P energy: -87.280 tors. eta vs tors. theta energy: -38.047 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: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1125.844241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.844241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.844241 (E_RNA) where: Base-Base interactions energy: -580.249 where: short stacking energy: -322.410 Base-Backbone interact. energy: -0.003 local terms energy: -545.592452 where: bonds (distance) C4'-P energy: -149.979 bonds (distance) P-C4' energy: -140.647 flat angles C4'-P-C4' energy: -124.871 flat angles P-C4'-P energy: -98.720 tors. eta vs tors. theta energy: -31.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -728.055294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.055294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.055294 (E_RNA) where: Base-Base interactions energy: -269.771 where: short stacking energy: -195.270 Base-Backbone interact. energy: -3.693 local terms energy: -454.591329 where: bonds (distance) C4'-P energy: -137.763 bonds (distance) P-C4' energy: -153.493 flat angles C4'-P-C4' energy: -128.513 flat angles P-C4'-P energy: -73.415 tors. eta vs tors. theta energy: 38.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3085.616537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.616537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.616537 (E_RNA) where: Base-Base interactions energy: -2064.177 where: short stacking energy: -950.018 Base-Backbone interact. energy: -6.887 local terms energy: -1014.552386 where: bonds (distance) C4'-P energy: -193.913 bonds (distance) P-C4' energy: -174.918 flat angles C4'-P-C4' energy: -222.469 flat angles P-C4'-P energy: -148.376 tors. eta vs tors. theta energy: -274.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2920.016773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.016773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.016773 (E_RNA) where: Base-Base interactions energy: -1987.095 where: short stacking energy: -897.842 Base-Backbone interact. energy: -6.151 local terms energy: -926.770046 where: bonds (distance) C4'-P energy: -159.756 bonds (distance) P-C4' energy: -170.598 flat angles C4'-P-C4' energy: -198.784 flat angles P-C4'-P energy: -133.752 tors. eta vs tors. theta energy: -263.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2742.331852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.331852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.331852 (E_RNA) where: Base-Base interactions energy: -1826.926 where: short stacking energy: -842.134 Base-Backbone interact. energy: -0.228 local terms energy: -915.177842 where: bonds (distance) C4'-P energy: -173.633 bonds (distance) P-C4' energy: -165.953 flat angles C4'-P-C4' energy: -203.269 flat angles P-C4'-P energy: -123.905 tors. eta vs tors. theta energy: -248.417 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: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2591.477850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.477850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.477850 (E_RNA) where: Base-Base interactions energy: -1734.828 where: short stacking energy: -774.930 Base-Backbone interact. energy: -5.019 local terms energy: -851.631530 where: bonds (distance) C4'-P energy: -165.516 bonds (distance) P-C4' energy: -153.438 flat angles C4'-P-C4' energy: -191.810 flat angles P-C4'-P energy: -137.468 tors. eta vs tors. theta energy: -203.399 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: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2541.925074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.925074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.925074 (E_RNA) where: Base-Base interactions energy: -1688.218 where: short stacking energy: -739.908 Base-Backbone interact. energy: -3.390 local terms energy: -850.317715 where: bonds (distance) C4'-P energy: -168.878 bonds (distance) P-C4' energy: -157.339 flat angles C4'-P-C4' energy: -188.499 flat angles P-C4'-P energy: -130.528 tors. eta vs tors. theta energy: -205.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2267.118466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.118466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.118466 (E_RNA) where: Base-Base interactions energy: -1495.485 where: short stacking energy: -718.677 Base-Backbone interact. energy: -1.585 local terms energy: -770.048810 where: bonds (distance) C4'-P energy: -155.888 bonds (distance) P-C4' energy: -147.161 flat angles C4'-P-C4' energy: -168.762 flat angles P-C4'-P energy: -112.727 tors. eta vs tors. theta energy: -185.511 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: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1788.699484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.699484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.699484 (E_RNA) where: Base-Base interactions energy: -1114.191 where: short stacking energy: -559.370 Base-Backbone interact. energy: -3.706 local terms energy: -670.802688 where: bonds (distance) C4'-P energy: -155.137 bonds (distance) P-C4' energy: -157.704 flat angles C4'-P-C4' energy: -147.169 flat angles P-C4'-P energy: -86.049 tors. eta vs tors. theta energy: -124.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1460.692529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.692529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.692529 (E_RNA) where: Base-Base interactions energy: -859.161 where: short stacking energy: -409.579 Base-Backbone interact. energy: 3.202 local terms energy: -604.734311 where: bonds (distance) C4'-P energy: -152.540 bonds (distance) P-C4' energy: -161.567 flat angles C4'-P-C4' energy: -156.021 flat angles P-C4'-P energy: -86.093 tors. eta vs tors. theta energy: -48.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1112.347384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.347384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.347384 (E_RNA) where: Base-Base interactions energy: -577.202 where: short stacking energy: -316.583 Base-Backbone interact. energy: 3.346 local terms energy: -538.491206 where: bonds (distance) C4'-P energy: -159.210 bonds (distance) P-C4' energy: -152.919 flat angles C4'-P-C4' energy: -133.988 flat angles P-C4'-P energy: -81.356 tors. eta vs tors. theta energy: -11.018 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: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -755.566747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.566747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.566747 (E_RNA) where: Base-Base interactions energy: -295.505 where: short stacking energy: -226.632 Base-Backbone interact. energy: 8.594 local terms energy: -468.655590 where: bonds (distance) C4'-P energy: -145.246 bonds (distance) P-C4' energy: -144.137 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -53.766 tors. eta vs tors. theta energy: 9.816 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: 200 Temperature: 0.900000 Total energy: -3099.047217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.047217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.047217 (E_RNA) where: Base-Base interactions energy: -2091.049 where: short stacking energy: -949.293 Base-Backbone interact. energy: -1.670 local terms energy: -1006.328257 where: bonds (distance) C4'-P energy: -197.746 bonds (distance) P-C4' energy: -173.946 flat angles C4'-P-C4' energy: -213.060 flat angles P-C4'-P energy: -155.416 tors. eta vs tors. theta energy: -266.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2932.296579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.296579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.296579 (E_RNA) where: Base-Base interactions energy: -1971.877 where: short stacking energy: -890.129 Base-Backbone interact. energy: -8.041 local terms energy: -952.378666 where: bonds (distance) C4'-P energy: -175.662 bonds (distance) P-C4' energy: -185.766 flat angles C4'-P-C4' energy: -198.057 flat angles P-C4'-P energy: -126.941 tors. eta vs tors. theta energy: -265.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2795.510634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.510634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.510634 (E_RNA) where: Base-Base interactions energy: -1849.051 where: short stacking energy: -852.511 Base-Backbone interact. energy: -3.537 local terms energy: -942.922542 where: bonds (distance) C4'-P energy: -173.962 bonds (distance) P-C4' energy: -188.211 flat angles C4'-P-C4' energy: -198.991 flat angles P-C4'-P energy: -124.302 tors. eta vs tors. theta energy: -257.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2610.393328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.393328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.393328 (E_RNA) where: Base-Base interactions energy: -1742.376 where: short stacking energy: -785.055 Base-Backbone interact. energy: 0.605 local terms energy: -868.622301 where: bonds (distance) C4'-P energy: -158.717 bonds (distance) P-C4' energy: -173.294 flat angles C4'-P-C4' energy: -181.094 flat angles P-C4'-P energy: -134.478 tors. eta vs tors. theta energy: -221.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2509.434438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.434438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.434438 (E_RNA) where: Base-Base interactions energy: -1673.706 where: short stacking energy: -765.132 Base-Backbone interact. energy: -4.036 local terms energy: -831.692857 where: bonds (distance) C4'-P energy: -163.648 bonds (distance) P-C4' energy: -158.702 flat angles C4'-P-C4' energy: -191.832 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -209.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2290.077848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.077848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.077848 (E_RNA) where: Base-Base interactions energy: -1492.555 where: short stacking energy: -709.609 Base-Backbone interact. energy: -3.836 local terms energy: -793.687153 where: bonds (distance) C4'-P energy: -160.133 bonds (distance) P-C4' energy: -171.996 flat angles C4'-P-C4' energy: -166.842 flat angles P-C4'-P energy: -114.379 tors. eta vs tors. theta energy: -180.337 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: 200 Temperature: 1.200000 Total energy: -1810.610357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.610357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.610357 (E_RNA) where: Base-Base interactions energy: -1106.377 where: short stacking energy: -573.771 Base-Backbone interact. energy: 4.559 local terms energy: -708.791678 where: bonds (distance) C4'-P energy: -146.178 bonds (distance) P-C4' energy: -150.618 flat angles C4'-P-C4' energy: -176.869 flat angles P-C4'-P energy: -102.970 tors. eta vs tors. theta energy: -132.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1443.606453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.606453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.606453 (E_RNA) where: Base-Base interactions energy: -854.150 where: short stacking energy: -423.649 Base-Backbone interact. energy: -2.091 local terms energy: -587.365549 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -147.202 flat angles C4'-P-C4' energy: -160.919 flat angles P-C4'-P energy: -80.941 tors. eta vs tors. theta energy: -72.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1090.586565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.586565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.586565 (E_RNA) where: Base-Base interactions energy: -535.090 where: short stacking energy: -309.124 Base-Backbone interact. energy: 2.645 local terms energy: -558.141595 where: bonds (distance) C4'-P energy: -152.962 bonds (distance) P-C4' energy: -167.086 flat angles C4'-P-C4' energy: -133.858 flat angles P-C4'-P energy: -79.460 tors. eta vs tors. theta energy: -24.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -718.533119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.533119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.533119 (E_RNA) where: Base-Base interactions energy: -297.649 where: short stacking energy: -190.563 Base-Backbone interact. energy: -2.299 local terms energy: -418.585088 where: bonds (distance) C4'-P energy: -127.274 bonds (distance) P-C4' energy: -158.996 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -66.956 tors. eta vs tors. theta energy: 43.139 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: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3107.019230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.019230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.019230 (E_RNA) where: Base-Base interactions energy: -2096.892 where: short stacking energy: -982.719 Base-Backbone interact. energy: -3.553 local terms energy: -1006.574477 where: bonds (distance) C4'-P energy: -185.038 bonds (distance) P-C4' energy: -175.525 flat angles C4'-P-C4' energy: -219.660 flat angles P-C4'-P energy: -136.504 tors. eta vs tors. theta energy: -289.846 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: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2979.773713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.773713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.773713 (E_RNA) where: Base-Base interactions energy: -2001.108 where: short stacking energy: -898.191 Base-Backbone interact. energy: -5.830 local terms energy: -972.835586 where: bonds (distance) C4'-P energy: -178.203 bonds (distance) P-C4' energy: -177.899 flat angles C4'-P-C4' energy: -197.152 flat angles P-C4'-P energy: -140.086 tors. eta vs tors. theta energy: -279.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2797.382085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.382085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.382085 (E_RNA) where: Base-Base interactions energy: -1873.414 where: short stacking energy: -872.240 Base-Backbone interact. energy: -2.105 local terms energy: -921.863051 where: bonds (distance) C4'-P energy: -165.588 bonds (distance) P-C4' energy: -180.112 flat angles C4'-P-C4' energy: -180.039 flat angles P-C4'-P energy: -132.027 tors. eta vs tors. theta energy: -264.098 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: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2655.814149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.814149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.814149 (E_RNA) where: Base-Base interactions energy: -1775.866 where: short stacking energy: -777.186 Base-Backbone interact. energy: 1.611 local terms energy: -881.558952 where: bonds (distance) C4'-P energy: -164.466 bonds (distance) P-C4' energy: -178.119 flat angles C4'-P-C4' energy: -195.867 flat angles P-C4'-P energy: -130.781 tors. eta vs tors. theta energy: -212.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2493.417408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.417408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.417408 (E_RNA) where: Base-Base interactions energy: -1678.454 where: short stacking energy: -717.145 Base-Backbone interact. energy: 3.605 local terms energy: -818.568280 where: bonds (distance) C4'-P energy: -164.200 bonds (distance) P-C4' energy: -174.860 flat angles C4'-P-C4' energy: -197.576 flat angles P-C4'-P energy: -109.984 tors. eta vs tors. theta energy: -171.949 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: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2214.316001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.316001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.316001 (E_RNA) where: Base-Base interactions energy: -1454.915 where: short stacking energy: -642.972 Base-Backbone interact. energy: -2.546 local terms energy: -756.855200 where: bonds (distance) C4'-P energy: -164.234 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -166.050 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -163.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1749.156964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.156964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.156964 (E_RNA) where: Base-Base interactions energy: -1055.579 where: short stacking energy: -507.892 Base-Backbone interact. energy: -4.845 local terms energy: -688.733048 where: bonds (distance) C4'-P energy: -149.454 bonds (distance) P-C4' energy: -159.218 flat angles C4'-P-C4' energy: -161.222 flat angles P-C4'-P energy: -121.289 tors. eta vs tors. theta energy: -97.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1467.365789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.365789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.365789 (E_RNA) where: Base-Base interactions energy: -845.424 where: short stacking energy: -438.130 Base-Backbone interact. energy: -3.302 local terms energy: -618.640383 where: bonds (distance) C4'-P energy: -139.289 bonds (distance) P-C4' energy: -164.060 flat angles C4'-P-C4' energy: -140.670 flat angles P-C4'-P energy: -94.750 tors. eta vs tors. theta energy: -79.871 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: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1101.348699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.348699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.348699 (E_RNA) where: Base-Base interactions energy: -556.510 where: short stacking energy: -343.261 Base-Backbone interact. energy: -0.008 local terms energy: -544.830405 where: bonds (distance) C4'-P energy: -160.165 bonds (distance) P-C4' energy: -148.537 flat angles C4'-P-C4' energy: -141.449 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: -28.158 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: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -705.228493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.228493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.228493 (E_RNA) where: Base-Base interactions energy: -245.159 where: short stacking energy: -182.975 Base-Backbone interact. energy: 1.410 local terms energy: -461.480231 where: bonds (distance) C4'-P energy: -154.272 bonds (distance) P-C4' energy: -158.484 flat angles C4'-P-C4' energy: -118.021 flat angles P-C4'-P energy: -59.883 tors. eta vs tors. theta energy: 29.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3093.954946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.954946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.954946 (E_RNA) where: Base-Base interactions energy: -2109.194 where: short stacking energy: -967.322 Base-Backbone interact. energy: 0.005 local terms energy: -984.766146 where: bonds (distance) C4'-P energy: -184.221 bonds (distance) P-C4' energy: -176.839 flat angles C4'-P-C4' energy: -205.350 flat angles P-C4'-P energy: -133.703 tors. eta vs tors. theta energy: -284.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -3005.234995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.234995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.234995 (E_RNA) where: Base-Base interactions energy: -2004.271 where: short stacking energy: -904.818 Base-Backbone interact. energy: -6.548 local terms energy: -994.416676 where: bonds (distance) C4'-P energy: -170.664 bonds (distance) P-C4' energy: -188.409 flat angles C4'-P-C4' energy: -212.221 flat angles P-C4'-P energy: -154.753 tors. eta vs tors. theta energy: -268.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2813.351619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.351619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.351619 (E_RNA) where: Base-Base interactions energy: -1879.323 where: short stacking energy: -885.483 Base-Backbone interact. energy: 2.561 local terms energy: -936.590021 where: bonds (distance) C4'-P energy: -172.368 bonds (distance) P-C4' energy: -167.158 flat angles C4'-P-C4' energy: -201.838 flat angles P-C4'-P energy: -130.617 tors. eta vs tors. theta energy: -264.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2606.859028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.859028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.859028 (E_RNA) where: Base-Base interactions energy: -1765.020 where: short stacking energy: -780.569 Base-Backbone interact. energy: -5.268 local terms energy: -836.570502 where: bonds (distance) C4'-P energy: -156.429 bonds (distance) P-C4' energy: -157.027 flat angles C4'-P-C4' energy: -178.639 flat angles P-C4'-P energy: -128.484 tors. eta vs tors. theta energy: -215.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2510.144676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.144676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.144676 (E_RNA) where: Base-Base interactions energy: -1698.863 where: short stacking energy: -756.319 Base-Backbone interact. energy: -1.681 local terms energy: -809.600626 where: bonds (distance) C4'-P energy: -151.007 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -183.465 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -202.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2240.938230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.938230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.938230 (E_RNA) where: Base-Base interactions energy: -1461.209 where: short stacking energy: -670.712 Base-Backbone interact. energy: -1.792 local terms energy: -777.937495 where: bonds (distance) C4'-P energy: -148.356 bonds (distance) P-C4' energy: -153.113 flat angles C4'-P-C4' energy: -162.743 flat angles P-C4'-P energy: -128.049 tors. eta vs tors. theta energy: -185.678 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: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1866.129002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.129002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.129002 (E_RNA) where: Base-Base interactions energy: -1164.963 where: short stacking energy: -536.885 Base-Backbone interact. energy: 4.006 local terms energy: -705.171777 where: bonds (distance) C4'-P energy: -150.776 bonds (distance) P-C4' energy: -149.259 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -107.760 tors. eta vs tors. theta energy: -131.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1441.440841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.440841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.440841 (E_RNA) where: Base-Base interactions energy: -876.098 where: short stacking energy: -464.641 Base-Backbone interact. energy: 0.013 local terms energy: -565.356759 where: bonds (distance) C4'-P energy: -161.692 bonds (distance) P-C4' energy: -128.976 flat angles C4'-P-C4' energy: -146.840 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -46.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1077.707136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.707136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.707136 (E_RNA) where: Base-Base interactions energy: -567.386 where: short stacking energy: -323.353 Base-Backbone interact. energy: -0.247 local terms energy: -510.074383 where: bonds (distance) C4'-P energy: -156.826 bonds (distance) P-C4' energy: -148.951 flat angles C4'-P-C4' energy: -112.929 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -15.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -708.609538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.609538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.609538 (E_RNA) where: Base-Base interactions energy: -266.171 where: short stacking energy: -208.208 Base-Backbone interact. energy: -0.816 local terms energy: -441.623470 where: bonds (distance) C4'-P energy: -146.324 bonds (distance) P-C4' energy: -135.331 flat angles C4'-P-C4' energy: -122.814 flat angles P-C4'-P energy: -68.093 tors. eta vs tors. theta energy: 30.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3095.352900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.352900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.352900 (E_RNA) where: Base-Base interactions energy: -2092.136 where: short stacking energy: -976.455 Base-Backbone interact. energy: -1.765 local terms energy: -1001.451431 where: bonds (distance) C4'-P energy: -179.785 bonds (distance) P-C4' energy: -187.558 flat angles C4'-P-C4' energy: -209.872 flat angles P-C4'-P energy: -141.943 tors. eta vs tors. theta energy: -282.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2980.029130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.029130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.029130 (E_RNA) where: Base-Base interactions energy: -1990.734 where: short stacking energy: -916.096 Base-Backbone interact. energy: -2.853 local terms energy: -986.441969 where: bonds (distance) C4'-P energy: -182.173 bonds (distance) P-C4' energy: -171.125 flat angles C4'-P-C4' energy: -216.908 flat angles P-C4'-P energy: -137.510 tors. eta vs tors. theta energy: -278.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2787.536435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.536435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.536435 (E_RNA) where: Base-Base interactions energy: -1825.994 where: short stacking energy: -838.046 Base-Backbone interact. energy: -2.540 local terms energy: -959.001999 where: bonds (distance) C4'-P energy: -180.867 bonds (distance) P-C4' energy: -190.266 flat angles C4'-P-C4' energy: -197.519 flat angles P-C4'-P energy: -143.561 tors. eta vs tors. theta energy: -246.790 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: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2627.391102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.391102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.391102 (E_RNA) where: Base-Base interactions energy: -1772.107 where: short stacking energy: -774.462 Base-Backbone interact. energy: 2.232 local terms energy: -857.516195 where: bonds (distance) C4'-P energy: -158.293 bonds (distance) P-C4' energy: -170.825 flat angles C4'-P-C4' energy: -199.844 flat angles P-C4'-P energy: -110.757 tors. eta vs tors. theta energy: -217.797 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: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2453.356224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.356224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.356224 (E_RNA) where: Base-Base interactions energy: -1602.890 where: short stacking energy: -735.217 Base-Backbone interact. energy: -2.673 local terms energy: -847.793330 where: bonds (distance) C4'-P energy: -170.953 bonds (distance) P-C4' energy: -176.282 flat angles C4'-P-C4' energy: -190.952 flat angles P-C4'-P energy: -110.085 tors. eta vs tors. theta energy: -199.521 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: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2296.811562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.811562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.811562 (E_RNA) where: Base-Base interactions energy: -1470.116 where: short stacking energy: -707.947 Base-Backbone interact. energy: -4.522 local terms energy: -822.174057 where: bonds (distance) C4'-P energy: -134.757 bonds (distance) P-C4' energy: -177.613 flat angles C4'-P-C4' energy: -180.784 flat angles P-C4'-P energy: -126.897 tors. eta vs tors. theta energy: -202.123 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: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1891.491711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.491711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.491711 (E_RNA) where: Base-Base interactions energy: -1157.528 where: short stacking energy: -557.928 Base-Backbone interact. energy: 2.742 local terms energy: -736.705662 where: bonds (distance) C4'-P energy: -167.041 bonds (distance) P-C4' energy: -154.789 flat angles C4'-P-C4' energy: -177.509 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -127.499 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: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1440.925019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.925019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.925019 (E_RNA) where: Base-Base interactions energy: -851.807 where: short stacking energy: -431.507 Base-Backbone interact. energy: 1.401 local terms energy: -590.519641 where: bonds (distance) C4'-P energy: -144.924 bonds (distance) P-C4' energy: -153.910 flat angles C4'-P-C4' energy: -148.694 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -80.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1053.302326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.302326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.302326 (E_RNA) where: Base-Base interactions energy: -526.679 where: short stacking energy: -300.711 Base-Backbone interact. energy: 3.321 local terms energy: -529.944921 where: bonds (distance) C4'-P energy: -144.273 bonds (distance) P-C4' energy: -164.910 flat angles C4'-P-C4' energy: -134.321 flat angles P-C4'-P energy: -83.287 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -738.960689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.960689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.960689 (E_RNA) where: Base-Base interactions energy: -268.170 where: short stacking energy: -208.860 Base-Backbone interact. energy: -0.899 local terms energy: -469.891122 where: bonds (distance) C4'-P energy: -156.001 bonds (distance) P-C4' energy: -144.975 flat angles C4'-P-C4' energy: -130.136 flat angles P-C4'-P energy: -76.789 tors. eta vs tors. theta energy: 38.010 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: 204 Temperature: 0.900000 Total energy: -3095.309942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.309942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.309942 (E_RNA) where: Base-Base interactions energy: -2081.356 where: short stacking energy: -979.954 Base-Backbone interact. energy: -2.269 local terms energy: -1011.684724 where: bonds (distance) C4'-P energy: -170.778 bonds (distance) P-C4' energy: -201.885 flat angles C4'-P-C4' energy: -208.376 flat angles P-C4'-P energy: -135.197 tors. eta vs tors. theta energy: -295.448 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: 204 Temperature: 0.950000 Total energy: -3017.134554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.134554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.134554 (E_RNA) where: Base-Base interactions energy: -2019.750 where: short stacking energy: -933.648 Base-Backbone interact. energy: -3.455 local terms energy: -993.929421 where: bonds (distance) C4'-P energy: -186.709 bonds (distance) P-C4' energy: -183.244 flat angles C4'-P-C4' energy: -207.589 flat angles P-C4'-P energy: -143.076 tors. eta vs tors. theta energy: -273.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2792.233202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.233202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.233202 (E_RNA) where: Base-Base interactions energy: -1848.119 where: short stacking energy: -873.808 Base-Backbone interact. energy: 1.060 local terms energy: -945.174065 where: bonds (distance) C4'-P energy: -165.857 bonds (distance) P-C4' energy: -181.314 flat angles C4'-P-C4' energy: -204.801 flat angles P-C4'-P energy: -140.780 tors. eta vs tors. theta energy: -252.421 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: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2606.164446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.164446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.164446 (E_RNA) where: Base-Base interactions energy: -1745.496 where: short stacking energy: -746.672 Base-Backbone interact. energy: -5.441 local terms energy: -855.227509 where: bonds (distance) C4'-P energy: -159.047 bonds (distance) P-C4' energy: -175.201 flat angles C4'-P-C4' energy: -184.983 flat angles P-C4'-P energy: -135.954 tors. eta vs tors. theta energy: -200.042 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: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2537.263313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.263313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.263313 (E_RNA) where: Base-Base interactions energy: -1680.351 where: short stacking energy: -758.875 Base-Backbone interact. energy: -3.354 local terms energy: -853.557929 where: bonds (distance) C4'-P energy: -165.358 bonds (distance) P-C4' energy: -165.909 flat angles C4'-P-C4' energy: -190.826 flat angles P-C4'-P energy: -125.573 tors. eta vs tors. theta energy: -205.892 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: 204 Temperature: 1.150000 Total energy: -2246.344689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.344689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.344689 (E_RNA) where: Base-Base interactions energy: -1472.045 where: short stacking energy: -679.527 Base-Backbone interact. energy: 1.557 local terms energy: -775.856795 where: bonds (distance) C4'-P energy: -130.839 bonds (distance) P-C4' energy: -172.505 flat angles C4'-P-C4' energy: -178.164 flat angles P-C4'-P energy: -103.019 tors. eta vs tors. theta energy: -191.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1867.893861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.893861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.893861 (E_RNA) where: Base-Base interactions energy: -1170.707 where: short stacking energy: -536.363 Base-Backbone interact. energy: -0.166 local terms energy: -697.020697 where: bonds (distance) C4'-P energy: -157.545 bonds (distance) P-C4' energy: -147.432 flat angles C4'-P-C4' energy: -171.635 flat angles P-C4'-P energy: -91.172 tors. eta vs tors. theta energy: -129.237 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: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1443.638195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.638195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.638195 (E_RNA) where: Base-Base interactions energy: -823.360 where: short stacking energy: -403.469 Base-Backbone interact. energy: -3.703 local terms energy: -616.574249 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -182.667 flat angles C4'-P-C4' energy: -151.718 flat angles P-C4'-P energy: -98.656 tors. eta vs tors. theta energy: -56.233 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: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1080.213305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.213305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.213305 (E_RNA) where: Base-Base interactions energy: -556.311 where: short stacking energy: -277.397 Base-Backbone interact. energy: 7.451 local terms energy: -531.353855 where: bonds (distance) C4'-P energy: -148.031 bonds (distance) P-C4' energy: -166.422 flat angles C4'-P-C4' energy: -110.105 flat angles P-C4'-P energy: -89.887 tors. eta vs tors. theta energy: -16.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -760.623848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.623848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.623848 (E_RNA) where: Base-Base interactions energy: -287.033 where: short stacking energy: -202.243 Base-Backbone interact. energy: 2.240 local terms energy: -475.830458 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -138.895 flat angles C4'-P-C4' energy: -142.701 flat angles P-C4'-P energy: -75.406 tors. eta vs tors. theta energy: 31.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3107.137748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.137748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.137748 (E_RNA) where: Base-Base interactions energy: -2098.892 where: short stacking energy: -979.827 Base-Backbone interact. energy: -0.617 local terms energy: -1007.628685 where: bonds (distance) C4'-P energy: -168.823 bonds (distance) P-C4' energy: -183.478 flat angles C4'-P-C4' energy: -218.451 flat angles P-C4'-P energy: -152.298 tors. eta vs tors. theta energy: -284.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2950.701457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.701457 (E_RNA) where: Base-Base interactions energy: -1989.958 where: short stacking energy: -924.662 Base-Backbone interact. energy: -5.046 local terms energy: -955.697384 where: bonds (distance) C4'-P energy: -173.523 bonds (distance) P-C4' energy: -192.422 flat angles C4'-P-C4' energy: -189.973 flat angles P-C4'-P energy: -133.426 tors. eta vs tors. theta energy: -266.352 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: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2757.533984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.533984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.533984 (E_RNA) where: Base-Base interactions energy: -1824.598 where: short stacking energy: -856.518 Base-Backbone interact. energy: -3.237 local terms energy: -929.699385 where: bonds (distance) C4'-P energy: -168.951 bonds (distance) P-C4' energy: -183.740 flat angles C4'-P-C4' energy: -200.551 flat angles P-C4'-P energy: -127.382 tors. eta vs tors. theta energy: -249.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2649.403208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.403208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.403208 (E_RNA) where: Base-Base interactions energy: -1771.991 where: short stacking energy: -785.606 Base-Backbone interact. energy: 5.690 local terms energy: -883.102566 where: bonds (distance) C4'-P energy: -168.197 bonds (distance) P-C4' energy: -169.455 flat angles C4'-P-C4' energy: -203.480 flat angles P-C4'-P energy: -124.934 tors. eta vs tors. theta energy: -217.037 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: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2513.039126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.039126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.039126 (E_RNA) where: Base-Base interactions energy: -1695.239 where: short stacking energy: -730.460 Base-Backbone interact. energy: -5.270 local terms energy: -812.529678 where: bonds (distance) C4'-P energy: -171.950 bonds (distance) P-C4' energy: -176.773 flat angles C4'-P-C4' energy: -173.703 flat angles P-C4'-P energy: -104.053 tors. eta vs tors. theta energy: -186.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2194.845949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.845949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.845949 (E_RNA) where: Base-Base interactions energy: -1403.376 where: short stacking energy: -644.105 Base-Backbone interact. energy: -2.978 local terms energy: -788.492639 where: bonds (distance) C4'-P energy: -169.273 bonds (distance) P-C4' energy: -162.257 flat angles C4'-P-C4' energy: -175.206 flat angles P-C4'-P energy: -110.529 tors. eta vs tors. theta energy: -171.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1839.715251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.715251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.715251 (E_RNA) where: Base-Base interactions energy: -1163.668 where: short stacking energy: -573.850 Base-Backbone interact. energy: 2.834 local terms energy: -678.881074 where: bonds (distance) C4'-P energy: -155.025 bonds (distance) P-C4' energy: -160.774 flat angles C4'-P-C4' energy: -158.956 flat angles P-C4'-P energy: -94.512 tors. eta vs tors. theta energy: -109.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1439.026788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.026788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.026788 (E_RNA) where: Base-Base interactions energy: -860.205 where: short stacking energy: -416.836 Base-Backbone interact. energy: 1.176 local terms energy: -579.998174 where: bonds (distance) C4'-P energy: -135.576 bonds (distance) P-C4' energy: -148.892 flat angles C4'-P-C4' energy: -148.527 flat angles P-C4'-P energy: -99.196 tors. eta vs tors. theta energy: -47.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1120.357810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.357810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.357810 (E_RNA) where: Base-Base interactions energy: -609.319 where: short stacking energy: -336.501 Base-Backbone interact. energy: 0.408 local terms energy: -511.446586 where: bonds (distance) C4'-P energy: -136.356 bonds (distance) P-C4' energy: -154.788 flat angles C4'-P-C4' energy: -139.020 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: -12.526 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: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -798.985951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.985951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.985951 (E_RNA) where: Base-Base interactions energy: -313.606 where: short stacking energy: -232.033 Base-Backbone interact. energy: 1.115 local terms energy: -486.494538 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -168.224 flat angles C4'-P-C4' energy: -107.100 flat angles P-C4'-P energy: -84.600 tors. eta vs tors. theta energy: 20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3102.605712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.605712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.605712 (E_RNA) where: Base-Base interactions energy: -2085.687 where: short stacking energy: -993.322 Base-Backbone interact. energy: -2.137 local terms energy: -1014.781277 where: bonds (distance) C4'-P energy: -175.920 bonds (distance) P-C4' energy: -183.067 flat angles C4'-P-C4' energy: -210.511 flat angles P-C4'-P energy: -150.190 tors. eta vs tors. theta energy: -295.094 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: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2962.533676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.533676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.533676 (E_RNA) where: Base-Base interactions energy: -1996.532 where: short stacking energy: -894.840 Base-Backbone interact. energy: -1.615 local terms energy: -964.387005 where: bonds (distance) C4'-P energy: -171.136 bonds (distance) P-C4' energy: -188.354 flat angles C4'-P-C4' energy: -202.394 flat angles P-C4'-P energy: -132.253 tors. eta vs tors. theta energy: -270.249 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: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2797.378288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.378288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.378288 (E_RNA) where: Base-Base interactions energy: -1847.210 where: short stacking energy: -878.857 Base-Backbone interact. energy: -2.309 local terms energy: -947.859670 where: bonds (distance) C4'-P energy: -180.196 bonds (distance) P-C4' energy: -177.548 flat angles C4'-P-C4' energy: -211.495 flat angles P-C4'-P energy: -123.837 tors. eta vs tors. theta energy: -254.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2595.251105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.251105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.251105 (E_RNA) where: Base-Base interactions energy: -1753.101 where: short stacking energy: -751.594 Base-Backbone interact. energy: -4.202 local terms energy: -837.948693 where: bonds (distance) C4'-P energy: -166.627 bonds (distance) P-C4' energy: -166.478 flat angles C4'-P-C4' energy: -187.715 flat angles P-C4'-P energy: -113.406 tors. eta vs tors. theta energy: -203.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2519.071500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.071500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.071500 (E_RNA) where: Base-Base interactions energy: -1704.393 where: short stacking energy: -745.834 Base-Backbone interact. energy: 2.328 local terms energy: -817.005645 where: bonds (distance) C4'-P energy: -149.707 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -182.093 flat angles P-C4'-P energy: -115.231 tors. eta vs tors. theta energy: -209.358 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: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2282.130565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.130565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.130565 (E_RNA) where: Base-Base interactions energy: -1516.765 where: short stacking energy: -708.555 Base-Backbone interact. energy: -3.250 local terms energy: -762.115091 where: bonds (distance) C4'-P energy: -147.848 bonds (distance) P-C4' energy: -143.439 flat angles C4'-P-C4' energy: -163.282 flat angles P-C4'-P energy: -113.665 tors. eta vs tors. theta energy: -193.881 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: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1779.941451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.941451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.941451 (E_RNA) where: Base-Base interactions energy: -1079.719 where: short stacking energy: -494.593 Base-Backbone interact. energy: -1.407 local terms energy: -698.815655 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -173.353 flat angles C4'-P-C4' energy: -179.910 flat angles P-C4'-P energy: -86.534 tors. eta vs tors. theta energy: -107.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1470.976486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.976486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.976486 (E_RNA) where: Base-Base interactions energy: -867.053 where: short stacking energy: -416.462 Base-Backbone interact. energy: 1.525 local terms energy: -605.449162 where: bonds (distance) C4'-P energy: -161.478 bonds (distance) P-C4' energy: -158.136 flat angles C4'-P-C4' energy: -144.085 flat angles P-C4'-P energy: -96.800 tors. eta vs tors. theta energy: -44.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1095.554466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.554466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.554466 (E_RNA) where: Base-Base interactions energy: -573.689 where: short stacking energy: -301.540 Base-Backbone interact. energy: -0.951 local terms energy: -520.914569 where: bonds (distance) C4'-P energy: -148.897 bonds (distance) P-C4' energy: -145.676 flat angles C4'-P-C4' energy: -137.553 flat angles P-C4'-P energy: -79.573 tors. eta vs tors. theta energy: -9.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -749.519629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.519629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.519629 (E_RNA) where: Base-Base interactions energy: -305.936 where: short stacking energy: -212.627 Base-Backbone interact. energy: 2.097 local terms energy: -445.681233 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -166.761 flat angles C4'-P-C4' energy: -103.642 flat angles P-C4'-P energy: -79.421 tors. eta vs tors. theta energy: 47.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3098.462601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.462601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.462601 (E_RNA) where: Base-Base interactions energy: -2095.277 where: short stacking energy: -970.176 Base-Backbone interact. energy: -2.329 local terms energy: -1000.856507 where: bonds (distance) C4'-P energy: -200.390 bonds (distance) P-C4' energy: -176.402 flat angles C4'-P-C4' energy: -215.942 flat angles P-C4'-P energy: -131.088 tors. eta vs tors. theta energy: -277.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2947.498313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.498313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.498313 (E_RNA) where: Base-Base interactions energy: -2023.192 where: short stacking energy: -883.595 Base-Backbone interact. energy: 2.670 local terms energy: -926.976323 where: bonds (distance) C4'-P energy: -168.452 bonds (distance) P-C4' energy: -171.422 flat angles C4'-P-C4' energy: -199.617 flat angles P-C4'-P energy: -134.479 tors. eta vs tors. theta energy: -253.006 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: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2772.769850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.769850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.769850 (E_RNA) where: Base-Base interactions energy: -1817.567 where: short stacking energy: -851.248 Base-Backbone interact. energy: 1.352 local terms energy: -956.554307 where: bonds (distance) C4'-P energy: -164.926 bonds (distance) P-C4' energy: -179.333 flat angles C4'-P-C4' energy: -217.257 flat angles P-C4'-P energy: -146.123 tors. eta vs tors. theta energy: -248.915 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: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2586.396303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.396303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.396303 (E_RNA) where: Base-Base interactions energy: -1748.539 where: short stacking energy: -780.925 Base-Backbone interact. energy: 3.797 local terms energy: -841.654663 where: bonds (distance) C4'-P energy: -160.441 bonds (distance) P-C4' energy: -171.934 flat angles C4'-P-C4' energy: -183.621 flat angles P-C4'-P energy: -104.666 tors. eta vs tors. theta energy: -220.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2494.100406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.100406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.100406 (E_RNA) where: Base-Base interactions energy: -1702.089 where: short stacking energy: -721.439 Base-Backbone interact. energy: -2.079 local terms energy: -789.932699 where: bonds (distance) C4'-P energy: -145.005 bonds (distance) P-C4' energy: -174.300 flat angles C4'-P-C4' energy: -170.201 flat angles P-C4'-P energy: -121.216 tors. eta vs tors. theta energy: -179.210 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: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2265.295438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.295438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.295438 (E_RNA) where: Base-Base interactions energy: -1461.918 where: short stacking energy: -680.573 Base-Backbone interact. energy: 0.662 local terms energy: -804.038953 where: bonds (distance) C4'-P energy: -162.508 bonds (distance) P-C4' energy: -175.122 flat angles C4'-P-C4' energy: -181.710 flat angles P-C4'-P energy: -113.412 tors. eta vs tors. theta energy: -171.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1794.166647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.166647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.166647 (E_RNA) where: Base-Base interactions energy: -1105.369 where: short stacking energy: -518.495 Base-Backbone interact. energy: -1.128 local terms energy: -687.669335 where: bonds (distance) C4'-P energy: -136.342 bonds (distance) P-C4' energy: -168.207 flat angles C4'-P-C4' energy: -158.701 flat angles P-C4'-P energy: -112.052 tors. eta vs tors. theta energy: -112.367 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: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1490.298953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.298953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.298953 (E_RNA) where: Base-Base interactions energy: -904.905 where: short stacking energy: -415.843 Base-Backbone interact. energy: 4.420 local terms energy: -589.814017 where: bonds (distance) C4'-P energy: -151.394 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -149.489 flat angles P-C4'-P energy: -75.598 tors. eta vs tors. theta energy: -52.743 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: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1120.983140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.983140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.983140 (E_RNA) where: Base-Base interactions energy: -566.572 where: short stacking energy: -308.554 Base-Backbone interact. energy: 1.170 local terms energy: -555.580469 where: bonds (distance) C4'-P energy: -146.752 bonds (distance) P-C4' energy: -165.037 flat angles C4'-P-C4' energy: -145.449 flat angles P-C4'-P energy: -80.928 tors. eta vs tors. theta energy: -17.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -781.710122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.710122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.710122 (E_RNA) where: Base-Base interactions energy: -307.574 where: short stacking energy: -219.016 Base-Backbone interact. energy: 2.269 local terms energy: -476.404929 where: bonds (distance) C4'-P energy: -153.843 bonds (distance) P-C4' energy: -157.363 flat angles C4'-P-C4' energy: -118.493 flat angles P-C4'-P energy: -73.147 tors. eta vs tors. theta energy: 26.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3092.132234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.132234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.132234 (E_RNA) where: Base-Base interactions energy: -2091.888 where: short stacking energy: -960.589 Base-Backbone interact. energy: -1.652 local terms energy: -998.591530 where: bonds (distance) C4'-P energy: -177.894 bonds (distance) P-C4' energy: -189.180 flat angles C4'-P-C4' energy: -204.276 flat angles P-C4'-P energy: -142.473 tors. eta vs tors. theta energy: -284.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2951.316024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.316024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.316024 (E_RNA) where: Base-Base interactions energy: -2014.772 where: short stacking energy: -884.480 Base-Backbone interact. energy: -4.201 local terms energy: -932.342907 where: bonds (distance) C4'-P energy: -178.577 bonds (distance) P-C4' energy: -168.191 flat angles C4'-P-C4' energy: -190.326 flat angles P-C4'-P energy: -140.709 tors. eta vs tors. theta energy: -254.540 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: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2768.298541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.298541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.298541 (E_RNA) where: Base-Base interactions energy: -1852.471 where: short stacking energy: -852.992 Base-Backbone interact. energy: -5.285 local terms energy: -910.542178 where: bonds (distance) C4'-P energy: -161.009 bonds (distance) P-C4' energy: -165.245 flat angles C4'-P-C4' energy: -197.831 flat angles P-C4'-P energy: -133.150 tors. eta vs tors. theta energy: -253.308 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: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2573.989499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.989499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.989499 (E_RNA) where: Base-Base interactions energy: -1767.427 where: short stacking energy: -746.181 Base-Backbone interact. energy: 1.657 local terms energy: -808.219671 where: bonds (distance) C4'-P energy: -138.983 bonds (distance) P-C4' energy: -169.204 flat angles C4'-P-C4' energy: -189.405 flat angles P-C4'-P energy: -122.784 tors. eta vs tors. theta energy: -187.844 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: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2525.631477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.631477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.631477 (E_RNA) where: Base-Base interactions energy: -1717.679 where: short stacking energy: -743.585 Base-Backbone interact. energy: -2.519 local terms energy: -805.432945 where: bonds (distance) C4'-P energy: -171.724 bonds (distance) P-C4' energy: -173.424 flat angles C4'-P-C4' energy: -164.074 flat angles P-C4'-P energy: -112.699 tors. eta vs tors. theta energy: -183.512 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: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2227.108743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.108743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.108743 (E_RNA) where: Base-Base interactions energy: -1485.876 where: short stacking energy: -668.703 Base-Backbone interact. energy: 1.754 local terms energy: -742.987303 where: bonds (distance) C4'-P energy: -142.628 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -165.746 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -167.422 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: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1839.936669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.936669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.936669 (E_RNA) where: Base-Base interactions energy: -1115.197 where: short stacking energy: -551.851 Base-Backbone interact. energy: 2.868 local terms energy: -727.608058 where: bonds (distance) C4'-P energy: -160.415 bonds (distance) P-C4' energy: -155.635 flat angles C4'-P-C4' energy: -167.848 flat angles P-C4'-P energy: -100.710 tors. eta vs tors. theta energy: -143.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1451.075569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.075569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.075569 (E_RNA) where: Base-Base interactions energy: -850.563 where: short stacking energy: -404.367 Base-Backbone interact. energy: 0.165 local terms energy: -600.677175 where: bonds (distance) C4'-P energy: -146.915 bonds (distance) P-C4' energy: -140.875 flat angles C4'-P-C4' energy: -166.568 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -57.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1066.346290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.346290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.346290 (E_RNA) where: Base-Base interactions energy: -558.328 where: short stacking energy: -304.707 Base-Backbone interact. energy: -2.901 local terms energy: -505.117408 where: bonds (distance) C4'-P energy: -137.634 bonds (distance) P-C4' energy: -136.347 flat angles C4'-P-C4' energy: -140.204 flat angles P-C4'-P energy: -81.849 tors. eta vs tors. theta energy: -9.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -740.911499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.911499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.911499 (E_RNA) where: Base-Base interactions energy: -314.562 where: short stacking energy: -243.475 Base-Backbone interact. energy: 0.321 local terms energy: -426.670768 where: bonds (distance) C4'-P energy: -109.400 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -122.177 flat angles P-C4'-P energy: -68.624 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: 1, replica: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3119.848113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.848113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.848113 (E_RNA) where: Base-Base interactions energy: -2090.754 where: short stacking energy: -971.905 Base-Backbone interact. energy: -2.175 local terms energy: -1026.919841 where: bonds (distance) C4'-P energy: -190.057 bonds (distance) P-C4' energy: -189.881 flat angles C4'-P-C4' energy: -219.069 flat angles P-C4'-P energy: -141.822 tors. eta vs tors. theta energy: -286.091 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: 209 Temperature: 0.950000 Total energy: -2968.083481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.083481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.083481 (E_RNA) where: Base-Base interactions energy: -1991.911 where: short stacking energy: -919.421 Base-Backbone interact. energy: -5.209 local terms energy: -970.963921 where: bonds (distance) C4'-P energy: -182.876 bonds (distance) P-C4' energy: -186.499 flat angles C4'-P-C4' energy: -192.956 flat angles P-C4'-P energy: -135.231 tors. eta vs tors. theta energy: -273.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2746.753102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.753102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.753102 (E_RNA) where: Base-Base interactions energy: -1838.194 where: short stacking energy: -863.688 Base-Backbone interact. energy: -3.740 local terms energy: -904.818268 where: bonds (distance) C4'-P energy: -159.205 bonds (distance) P-C4' energy: -182.076 flat angles C4'-P-C4' energy: -205.663 flat angles P-C4'-P energy: -126.646 tors. eta vs tors. theta energy: -231.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2558.668726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.668726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.668726 (E_RNA) where: Base-Base interactions energy: -1695.033 where: short stacking energy: -762.951 Base-Backbone interact. energy: -0.975 local terms energy: -862.660529 where: bonds (distance) C4'-P energy: -178.212 bonds (distance) P-C4' energy: -162.798 flat angles C4'-P-C4' energy: -181.960 flat angles P-C4'-P energy: -121.310 tors. eta vs tors. theta energy: -218.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2549.586379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.586379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.586379 (E_RNA) where: Base-Base interactions energy: -1721.801 where: short stacking energy: -793.220 Base-Backbone interact. energy: 0.157 local terms energy: -827.942858 where: bonds (distance) C4'-P energy: -161.863 bonds (distance) P-C4' energy: -164.362 flat angles C4'-P-C4' energy: -175.719 flat angles P-C4'-P energy: -106.373 tors. eta vs tors. theta energy: -219.625 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: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2350.467344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.467344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.467344 (E_RNA) where: Base-Base interactions energy: -1552.812 where: short stacking energy: -703.165 Base-Backbone interact. energy: -1.300 local terms energy: -796.354914 where: bonds (distance) C4'-P energy: -148.733 bonds (distance) P-C4' energy: -165.152 flat angles C4'-P-C4' energy: -179.168 flat angles P-C4'-P energy: -109.222 tors. eta vs tors. theta energy: -194.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1845.912344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.912344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.912344 (E_RNA) where: Base-Base interactions energy: -1157.528 where: short stacking energy: -537.134 Base-Backbone interact. energy: 3.599 local terms energy: -691.983359 where: bonds (distance) C4'-P energy: -159.330 bonds (distance) P-C4' energy: -160.478 flat angles C4'-P-C4' energy: -149.543 flat angles P-C4'-P energy: -122.568 tors. eta vs tors. theta energy: -100.064 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: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1411.987254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.987254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.987254 (E_RNA) where: Base-Base interactions energy: -799.522 where: short stacking energy: -372.157 Base-Backbone interact. energy: 4.067 local terms energy: -616.532288 where: bonds (distance) C4'-P energy: -159.704 bonds (distance) P-C4' energy: -167.495 flat angles C4'-P-C4' energy: -163.070 flat angles P-C4'-P energy: -74.381 tors. eta vs tors. theta energy: -51.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1021.158654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.158654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.158654 (E_RNA) where: Base-Base interactions energy: -471.069 where: short stacking energy: -284.662 Base-Backbone interact. energy: -2.267 local terms energy: -547.822313 where: bonds (distance) C4'-P energy: -165.096 bonds (distance) P-C4' energy: -148.094 flat angles C4'-P-C4' energy: -146.149 flat angles P-C4'-P energy: -79.226 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -727.191756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.191756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.191756 (E_RNA) where: Base-Base interactions energy: -284.585 where: short stacking energy: -190.727 Base-Backbone interact. energy: -3.048 local terms energy: -439.558472 where: bonds (distance) C4'-P energy: -150.473 bonds (distance) P-C4' energy: -159.543 flat angles C4'-P-C4' energy: -111.799 flat angles P-C4'-P energy: -50.943 tors. eta vs tors. theta energy: 33.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3100.127669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.127669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.127669 (E_RNA) where: Base-Base interactions energy: -2082.925 where: short stacking energy: -936.176 Base-Backbone interact. energy: -1.889 local terms energy: -1015.313856 where: bonds (distance) C4'-P energy: -184.857 bonds (distance) P-C4' energy: -191.547 flat angles C4'-P-C4' energy: -222.702 flat angles P-C4'-P energy: -133.984 tors. eta vs tors. theta energy: -282.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2969.191950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.191950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.191950 (E_RNA) where: Base-Base interactions energy: -2010.652 where: short stacking energy: -922.032 Base-Backbone interact. energy: -4.739 local terms energy: -953.801692 where: bonds (distance) C4'-P energy: -170.055 bonds (distance) P-C4' energy: -179.016 flat angles C4'-P-C4' energy: -198.649 flat angles P-C4'-P energy: -137.301 tors. eta vs tors. theta energy: -268.781 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: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2755.984390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.984390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.984390 (E_RNA) where: Base-Base interactions energy: -1832.623 where: short stacking energy: -857.759 Base-Backbone interact. energy: 0.370 local terms energy: -923.731543 where: bonds (distance) C4'-P energy: -166.875 bonds (distance) P-C4' energy: -174.965 flat angles C4'-P-C4' energy: -204.444 flat angles P-C4'-P energy: -125.126 tors. eta vs tors. theta energy: -252.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2634.425125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.425125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.425125 (E_RNA) where: Base-Base interactions energy: -1764.203 where: short stacking energy: -784.934 Base-Backbone interact. energy: -5.940 local terms energy: -864.282419 where: bonds (distance) C4'-P energy: -158.303 bonds (distance) P-C4' energy: -181.632 flat angles C4'-P-C4' energy: -191.085 flat angles P-C4'-P energy: -115.744 tors. eta vs tors. theta energy: -217.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2584.924331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.924331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.924331 (E_RNA) where: Base-Base interactions energy: -1744.815 where: short stacking energy: -797.121 Base-Backbone interact. energy: -0.482 local terms energy: -839.626995 where: bonds (distance) C4'-P energy: -151.316 bonds (distance) P-C4' energy: -141.869 flat angles C4'-P-C4' energy: -208.868 flat angles P-C4'-P energy: -113.541 tors. eta vs tors. theta energy: -224.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2326.604382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.604382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.604382 (E_RNA) where: Base-Base interactions energy: -1517.880 where: short stacking energy: -718.479 Base-Backbone interact. energy: -1.958 local terms energy: -806.766477 where: bonds (distance) C4'-P energy: -151.452 bonds (distance) P-C4' energy: -152.207 flat angles C4'-P-C4' energy: -200.141 flat angles P-C4'-P energy: -126.224 tors. eta vs tors. theta energy: -176.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1885.130736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.130736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.130736 (E_RNA) where: Base-Base interactions energy: -1189.545 where: short stacking energy: -582.176 Base-Backbone interact. energy: 2.783 local terms energy: -698.368702 where: bonds (distance) C4'-P energy: -149.538 bonds (distance) P-C4' energy: -164.762 flat angles C4'-P-C4' energy: -163.441 flat angles P-C4'-P energy: -105.119 tors. eta vs tors. theta energy: -115.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1353.322239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.322239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.322239 (E_RNA) where: Base-Base interactions energy: -774.405 where: short stacking energy: -404.597 Base-Backbone interact. energy: 0.648 local terms energy: -579.565899 where: bonds (distance) C4'-P energy: -143.662 bonds (distance) P-C4' energy: -145.765 flat angles C4'-P-C4' energy: -149.913 flat angles P-C4'-P energy: -77.884 tors. eta vs tors. theta energy: -62.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1055.966885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.966885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.966885 (E_RNA) where: Base-Base interactions energy: -533.197 where: short stacking energy: -303.199 Base-Backbone interact. energy: 2.518 local terms energy: -525.288182 where: bonds (distance) C4'-P energy: -135.423 bonds (distance) P-C4' energy: -138.166 flat angles C4'-P-C4' energy: -154.395 flat angles P-C4'-P energy: -92.835 tors. eta vs tors. theta energy: -4.469 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -730.060073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.060073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.060073 (E_RNA) where: Base-Base interactions energy: -269.915 where: short stacking energy: -212.556 Base-Backbone interact. energy: -0.082 local terms energy: -460.062225 where: bonds (distance) C4'-P energy: -144.184 bonds (distance) P-C4' energy: -154.134 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -58.255 tors. eta vs tors. theta energy: 22.768 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: 211 Temperature: 0.900000 Total energy: -3087.730910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.730910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.730910 (E_RNA) where: Base-Base interactions energy: -2089.833 where: short stacking energy: -976.334 Base-Backbone interact. energy: -2.166 local terms energy: -995.732009 where: bonds (distance) C4'-P energy: -182.730 bonds (distance) P-C4' energy: -189.662 flat angles C4'-P-C4' energy: -201.176 flat angles P-C4'-P energy: -141.382 tors. eta vs tors. theta energy: -280.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2924.250363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.250363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.250363 (E_RNA) where: Base-Base interactions energy: -1974.377 where: short stacking energy: -887.534 Base-Backbone interact. energy: -1.499 local terms energy: -948.374222 where: bonds (distance) C4'-P energy: -188.018 bonds (distance) P-C4' energy: -175.964 flat angles C4'-P-C4' energy: -192.465 flat angles P-C4'-P energy: -124.267 tors. eta vs tors. theta energy: -267.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2745.331700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.331700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.331700 (E_RNA) where: Base-Base interactions energy: -1809.423 where: short stacking energy: -871.156 Base-Backbone interact. energy: 0.682 local terms energy: -936.590794 where: bonds (distance) C4'-P energy: -166.272 bonds (distance) P-C4' energy: -170.766 flat angles C4'-P-C4' energy: -195.566 flat angles P-C4'-P energy: -138.618 tors. eta vs tors. theta energy: -265.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2586.568263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.568263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.568263 (E_RNA) where: Base-Base interactions energy: -1748.849 where: short stacking energy: -754.971 Base-Backbone interact. energy: 3.373 local terms energy: -841.092318 where: bonds (distance) C4'-P energy: -170.875 bonds (distance) P-C4' energy: -171.415 flat angles C4'-P-C4' energy: -194.523 flat angles P-C4'-P energy: -112.810 tors. eta vs tors. theta energy: -191.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2594.553924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.553924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.553924 (E_RNA) where: Base-Base interactions energy: -1727.284 where: short stacking energy: -774.204 Base-Backbone interact. energy: -3.453 local terms energy: -863.817531 where: bonds (distance) C4'-P energy: -160.630 bonds (distance) P-C4' energy: -160.203 flat angles C4'-P-C4' energy: -179.516 flat angles P-C4'-P energy: -133.404 tors. eta vs tors. theta energy: -230.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2340.545073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.545073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.545073 (E_RNA) where: Base-Base interactions energy: -1549.296 where: short stacking energy: -711.160 Base-Backbone interact. energy: -2.210 local terms energy: -789.039824 where: bonds (distance) C4'-P energy: -158.438 bonds (distance) P-C4' energy: -154.562 flat angles C4'-P-C4' energy: -170.116 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -198.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1884.559120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.559120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.559120 (E_RNA) where: Base-Base interactions energy: -1213.310 where: short stacking energy: -569.451 Base-Backbone interact. energy: -0.807 local terms energy: -670.442433 where: bonds (distance) C4'-P energy: -138.084 bonds (distance) P-C4' energy: -170.542 flat angles C4'-P-C4' energy: -136.093 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -117.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1396.137917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.137917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.137917 (E_RNA) where: Base-Base interactions energy: -820.501 where: short stacking energy: -414.549 Base-Backbone interact. energy: 0.129 local terms energy: -575.766434 where: bonds (distance) C4'-P energy: -130.940 bonds (distance) P-C4' energy: -136.379 flat angles C4'-P-C4' energy: -149.966 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -79.503 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: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1126.287290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.287290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.287290 (E_RNA) where: Base-Base interactions energy: -580.939 where: short stacking energy: -302.170 Base-Backbone interact. energy: -3.529 local terms energy: -541.818968 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -160.341 flat angles C4'-P-C4' energy: -143.565 flat angles P-C4'-P energy: -73.782 tors. eta vs tors. theta energy: -22.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -739.505519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.505519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.505519 (E_RNA) where: Base-Base interactions energy: -254.025 where: short stacking energy: -208.476 Base-Backbone interact. energy: 1.288 local terms energy: -486.768173 where: bonds (distance) C4'-P energy: -154.671 bonds (distance) P-C4' energy: -159.920 flat angles C4'-P-C4' energy: -118.504 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: 28.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3068.954443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.954443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.954443 (E_RNA) where: Base-Base interactions energy: -2038.784 where: short stacking energy: -948.870 Base-Backbone interact. energy: 0.331 local terms energy: -1030.501325 where: bonds (distance) C4'-P energy: -195.715 bonds (distance) P-C4' energy: -173.765 flat angles C4'-P-C4' energy: -219.718 flat angles P-C4'-P energy: -163.377 tors. eta vs tors. theta energy: -277.925 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: 212 Temperature: 0.950000 Total energy: -2917.858812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.858812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.858812 (E_RNA) where: Base-Base interactions energy: -1951.269 where: short stacking energy: -883.426 Base-Backbone interact. energy: -6.653 local terms energy: -959.936210 where: bonds (distance) C4'-P energy: -183.523 bonds (distance) P-C4' energy: -174.846 flat angles C4'-P-C4' energy: -196.821 flat angles P-C4'-P energy: -140.316 tors. eta vs tors. theta energy: -264.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2748.027651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.027651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.027651 (E_RNA) where: Base-Base interactions energy: -1830.240 where: short stacking energy: -855.170 Base-Backbone interact. energy: 0.491 local terms energy: -918.278483 where: bonds (distance) C4'-P energy: -177.587 bonds (distance) P-C4' energy: -172.542 flat angles C4'-P-C4' energy: -195.310 flat angles P-C4'-P energy: -125.092 tors. eta vs tors. theta energy: -247.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2595.043798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.043798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.043798 (E_RNA) where: Base-Base interactions energy: -1754.037 where: short stacking energy: -745.884 Base-Backbone interact. energy: -5.371 local terms energy: -835.635501 where: bonds (distance) C4'-P energy: -178.682 bonds (distance) P-C4' energy: -150.805 flat angles C4'-P-C4' energy: -179.665 flat angles P-C4'-P energy: -123.459 tors. eta vs tors. theta energy: -203.025 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: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2483.930291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.930291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.930291 (E_RNA) where: Base-Base interactions energy: -1654.972 where: short stacking energy: -723.464 Base-Backbone interact. energy: -1.246 local terms energy: -827.712707 where: bonds (distance) C4'-P energy: -167.454 bonds (distance) P-C4' energy: -154.437 flat angles C4'-P-C4' energy: -186.171 flat angles P-C4'-P energy: -119.209 tors. eta vs tors. theta energy: -200.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2321.620833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.620833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.620833 (E_RNA) where: Base-Base interactions energy: -1555.736 where: short stacking energy: -722.667 Base-Backbone interact. energy: 0.412 local terms energy: -766.296060 where: bonds (distance) C4'-P energy: -149.265 bonds (distance) P-C4' energy: -159.471 flat angles C4'-P-C4' energy: -184.132 flat angles P-C4'-P energy: -88.111 tors. eta vs tors. theta energy: -185.317 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: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1939.610120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.610120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.610120 (E_RNA) where: Base-Base interactions energy: -1225.267 where: short stacking energy: -589.907 Base-Backbone interact. energy: -1.233 local terms energy: -713.110518 where: bonds (distance) C4'-P energy: -151.057 bonds (distance) P-C4' energy: -154.186 flat angles C4'-P-C4' energy: -164.117 flat angles P-C4'-P energy: -93.016 tors. eta vs tors. theta energy: -150.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1424.418824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.418824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.418824 (E_RNA) where: Base-Base interactions energy: -853.974 where: short stacking energy: -437.924 Base-Backbone interact. energy: 1.877 local terms energy: -572.322029 where: bonds (distance) C4'-P energy: -150.300 bonds (distance) P-C4' energy: -154.800 flat angles C4'-P-C4' energy: -117.508 flat angles P-C4'-P energy: -76.095 tors. eta vs tors. theta energy: -73.619 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: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1099.183508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.183508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.183508 (E_RNA) where: Base-Base interactions energy: -556.279 where: short stacking energy: -301.950 Base-Backbone interact. energy: -0.871 local terms energy: -542.033977 where: bonds (distance) C4'-P energy: -149.488 bonds (distance) P-C4' energy: -172.410 flat angles C4'-P-C4' energy: -123.373 flat angles P-C4'-P energy: -79.600 tors. eta vs tors. theta energy: -17.164 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: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -715.572574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.572574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.572574 (E_RNA) where: Base-Base interactions energy: -302.240 where: short stacking energy: -197.110 Base-Backbone interact. energy: 4.875 local terms energy: -418.208096 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -116.478 flat angles C4'-P-C4' energy: -115.289 flat angles P-C4'-P energy: -75.232 tors. eta vs tors. theta energy: 35.382 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: 213 Temperature: 0.900000 Total energy: -3082.707008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.707008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.707008 (E_RNA) where: Base-Base interactions energy: -2072.720 where: short stacking energy: -959.709 Base-Backbone interact. energy: -3.392 local terms energy: -1006.594688 where: bonds (distance) C4'-P energy: -172.025 bonds (distance) P-C4' energy: -191.531 flat angles C4'-P-C4' energy: -217.364 flat angles P-C4'-P energy: -141.526 tors. eta vs tors. theta energy: -284.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2920.324741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.324741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.324741 (E_RNA) where: Base-Base interactions energy: -1975.867 where: short stacking energy: -898.458 Base-Backbone interact. energy: -5.949 local terms energy: -938.508308 where: bonds (distance) C4'-P energy: -160.735 bonds (distance) P-C4' energy: -165.411 flat angles C4'-P-C4' energy: -215.369 flat angles P-C4'-P energy: -135.762 tors. eta vs tors. theta energy: -261.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2734.826823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.826823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.826823 (E_RNA) where: Base-Base interactions energy: -1826.835 where: short stacking energy: -873.543 Base-Backbone interact. energy: -3.162 local terms energy: -904.829758 where: bonds (distance) C4'-P energy: -167.089 bonds (distance) P-C4' energy: -176.913 flat angles C4'-P-C4' energy: -189.477 flat angles P-C4'-P energy: -127.860 tors. eta vs tors. theta energy: -243.491 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: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2633.963661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.963661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.963661 (E_RNA) where: Base-Base interactions energy: -1761.369 where: short stacking energy: -782.483 Base-Backbone interact. energy: -2.760 local terms energy: -869.834909 where: bonds (distance) C4'-P energy: -161.289 bonds (distance) P-C4' energy: -181.942 flat angles C4'-P-C4' energy: -190.190 flat angles P-C4'-P energy: -116.345 tors. eta vs tors. theta energy: -220.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2492.182514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.182514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.182514 (E_RNA) where: Base-Base interactions energy: -1689.303 where: short stacking energy: -745.851 Base-Backbone interact. energy: -7.328 local terms energy: -795.551351 where: bonds (distance) C4'-P energy: -159.468 bonds (distance) P-C4' energy: -159.889 flat angles C4'-P-C4' energy: -172.478 flat angles P-C4'-P energy: -105.588 tors. eta vs tors. theta energy: -198.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2296.405401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.405401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.405401 (E_RNA) where: Base-Base interactions energy: -1503.257 where: short stacking energy: -698.989 Base-Backbone interact. energy: 1.159 local terms energy: -794.307532 where: bonds (distance) C4'-P energy: -153.303 bonds (distance) P-C4' energy: -163.694 flat angles C4'-P-C4' energy: -180.825 flat angles P-C4'-P energy: -109.668 tors. eta vs tors. theta energy: -186.818 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: 213 Temperature: 1.200000 Total energy: -1903.849586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.849586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.849586 (E_RNA) where: Base-Base interactions energy: -1202.044 where: short stacking energy: -593.204 Base-Backbone interact. energy: 0.249 local terms energy: -702.054503 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -171.589 flat angles C4'-P-C4' energy: -156.251 flat angles P-C4'-P energy: -125.001 tors. eta vs tors. theta energy: -127.007 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: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1418.533859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.533859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.533859 (E_RNA) where: Base-Base interactions energy: -817.664 where: short stacking energy: -407.992 Base-Backbone interact. energy: 0.737 local terms energy: -601.607749 where: bonds (distance) C4'-P energy: -164.262 bonds (distance) P-C4' energy: -154.297 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -88.529 tors. eta vs tors. theta energy: -56.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1027.013464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.013464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.013464 (E_RNA) where: Base-Base interactions energy: -512.364 where: short stacking energy: -296.783 Base-Backbone interact. energy: -2.999 local terms energy: -511.650473 where: bonds (distance) C4'-P energy: -167.370 bonds (distance) P-C4' energy: -153.553 flat angles C4'-P-C4' energy: -130.126 flat angles P-C4'-P energy: -80.104 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: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -763.255855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.255855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.255855 (E_RNA) where: Base-Base interactions energy: -278.062 where: short stacking energy: -207.232 Base-Backbone interact. energy: -0.547 local terms energy: -484.646807 where: bonds (distance) C4'-P energy: -125.989 bonds (distance) P-C4' energy: -157.091 flat angles C4'-P-C4' energy: -126.868 flat angles P-C4'-P energy: -75.444 tors. eta vs tors. theta energy: 0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3064.069434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.069434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.069434 (E_RNA) where: Base-Base interactions energy: -2072.609 where: short stacking energy: -942.378 Base-Backbone interact. energy: -1.503 local terms energy: -989.957451 where: bonds (distance) C4'-P energy: -184.876 bonds (distance) P-C4' energy: -189.254 flat angles C4'-P-C4' energy: -206.014 flat angles P-C4'-P energy: -141.768 tors. eta vs tors. theta energy: -268.045 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: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2942.777338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.777338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.777338 (E_RNA) where: Base-Base interactions energy: -1978.340 where: short stacking energy: -900.643 Base-Backbone interact. energy: -6.196 local terms energy: -958.241601 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -185.430 flat angles C4'-P-C4' energy: -207.447 flat angles P-C4'-P energy: -138.865 tors. eta vs tors. theta energy: -278.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2717.193505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.193505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.193505 (E_RNA) where: Base-Base interactions energy: -1781.374 where: short stacking energy: -805.537 Base-Backbone interact. energy: -3.398 local terms energy: -932.421644 where: bonds (distance) C4'-P energy: -176.231 bonds (distance) P-C4' energy: -192.933 flat angles C4'-P-C4' energy: -204.858 flat angles P-C4'-P energy: -109.506 tors. eta vs tors. theta energy: -248.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2622.953626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.953626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.953626 (E_RNA) where: Base-Base interactions energy: -1742.455 where: short stacking energy: -752.431 Base-Backbone interact. energy: -8.132 local terms energy: -872.365937 where: bonds (distance) C4'-P energy: -164.451 bonds (distance) P-C4' energy: -183.578 flat angles C4'-P-C4' energy: -187.611 flat angles P-C4'-P energy: -115.806 tors. eta vs tors. theta energy: -220.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2495.839982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.839982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.839982 (E_RNA) where: Base-Base interactions energy: -1680.669 where: short stacking energy: -745.562 Base-Backbone interact. energy: 2.099 local terms energy: -817.269687 where: bonds (distance) C4'-P energy: -146.232 bonds (distance) P-C4' energy: -160.800 flat angles C4'-P-C4' energy: -189.009 flat angles P-C4'-P energy: -113.869 tors. eta vs tors. theta energy: -207.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2219.702728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.702728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.702728 (E_RNA) where: Base-Base interactions energy: -1430.726 where: short stacking energy: -687.981 Base-Backbone interact. energy: -1.286 local terms energy: -787.690256 where: bonds (distance) C4'-P energy: -167.481 bonds (distance) P-C4' energy: -160.715 flat angles C4'-P-C4' energy: -179.488 flat angles P-C4'-P energy: -109.009 tors. eta vs tors. theta energy: -170.997 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: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1896.156587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.156587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.156587 (E_RNA) where: Base-Base interactions energy: -1179.948 where: short stacking energy: -567.706 Base-Backbone interact. energy: 3.726 local terms energy: -719.934466 where: bonds (distance) C4'-P energy: -146.063 bonds (distance) P-C4' energy: -168.016 flat angles C4'-P-C4' energy: -155.586 flat angles P-C4'-P energy: -109.530 tors. eta vs tors. theta energy: -140.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1431.185327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.185327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.185327 (E_RNA) where: Base-Base interactions energy: -835.430 where: short stacking energy: -426.270 Base-Backbone interact. energy: -1.983 local terms energy: -593.772538 where: bonds (distance) C4'-P energy: -149.640 bonds (distance) P-C4' energy: -150.642 flat angles C4'-P-C4' energy: -140.610 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -81.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -999.332240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.332240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.332240 (E_RNA) where: Base-Base interactions energy: -519.435 where: short stacking energy: -298.947 Base-Backbone interact. energy: -4.873 local terms energy: -475.024529 where: bonds (distance) C4'-P energy: -120.745 bonds (distance) P-C4' energy: -145.934 flat angles C4'-P-C4' energy: -129.933 flat angles P-C4'-P energy: -77.139 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -752.678937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.678937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.678937 (E_RNA) where: Base-Base interactions energy: -288.003 where: short stacking energy: -220.359 Base-Backbone interact. energy: -4.364 local terms energy: -460.312542 where: bonds (distance) C4'-P energy: -158.451 bonds (distance) P-C4' energy: -144.024 flat angles C4'-P-C4' energy: -105.821 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: 15.121 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: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3066.786676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.786676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.786676 (E_RNA) where: Base-Base interactions energy: -2060.832 where: short stacking energy: -938.287 Base-Backbone interact. energy: -0.429 local terms energy: -1005.525709 where: bonds (distance) C4'-P energy: -178.055 bonds (distance) P-C4' energy: -189.991 flat angles C4'-P-C4' energy: -211.271 flat angles P-C4'-P energy: -134.733 tors. eta vs tors. theta energy: -291.476 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: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2966.204546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.204546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.204546 (E_RNA) where: Base-Base interactions energy: -1994.862 where: short stacking energy: -890.767 Base-Backbone interact. energy: -5.817 local terms energy: -965.525659 where: bonds (distance) C4'-P energy: -174.173 bonds (distance) P-C4' energy: -178.743 flat angles C4'-P-C4' energy: -207.406 flat angles P-C4'-P energy: -131.879 tors. eta vs tors. theta energy: -273.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2708.601949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.601949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.601949 (E_RNA) where: Base-Base interactions energy: -1799.453 where: short stacking energy: -842.081 Base-Backbone interact. energy: -4.213 local terms energy: -904.935545 where: bonds (distance) C4'-P energy: -173.812 bonds (distance) P-C4' energy: -168.040 flat angles C4'-P-C4' energy: -185.224 flat angles P-C4'-P energy: -132.048 tors. eta vs tors. theta energy: -245.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2625.687974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.687974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.687974 (E_RNA) where: Base-Base interactions energy: -1780.978 where: short stacking energy: -789.922 Base-Backbone interact. energy: -1.838 local terms energy: -842.871917 where: bonds (distance) C4'-P energy: -160.041 bonds (distance) P-C4' energy: -155.789 flat angles C4'-P-C4' energy: -192.976 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -224.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2563.226064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.226064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.226064 (E_RNA) where: Base-Base interactions energy: -1731.867 where: short stacking energy: -784.228 Base-Backbone interact. energy: 2.031 local terms energy: -833.390325 where: bonds (distance) C4'-P energy: -145.517 bonds (distance) P-C4' energy: -164.443 flat angles C4'-P-C4' energy: -186.435 flat angles P-C4'-P energy: -118.781 tors. eta vs tors. theta energy: -218.214 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: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2201.858028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.858028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.858028 (E_RNA) where: Base-Base interactions energy: -1428.679 where: short stacking energy: -660.091 Base-Backbone interact. energy: -1.719 local terms energy: -771.459809 where: bonds (distance) C4'-P energy: -165.734 bonds (distance) P-C4' energy: -169.874 flat angles C4'-P-C4' energy: -178.686 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -158.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1893.048085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.048085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.048085 (E_RNA) where: Base-Base interactions energy: -1192.750 where: short stacking energy: -577.305 Base-Backbone interact. energy: 0.018 local terms energy: -700.316149 where: bonds (distance) C4'-P energy: -161.074 bonds (distance) P-C4' energy: -145.573 flat angles C4'-P-C4' energy: -150.722 flat angles P-C4'-P energy: -107.943 tors. eta vs tors. theta energy: -135.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1409.996910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.996910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.996910 (E_RNA) where: Base-Base interactions energy: -819.037 where: short stacking energy: -391.232 Base-Backbone interact. energy: -2.912 local terms energy: -588.047994 where: bonds (distance) C4'-P energy: -136.052 bonds (distance) P-C4' energy: -162.808 flat angles C4'-P-C4' energy: -150.621 flat angles P-C4'-P energy: -92.950 tors. eta vs tors. theta energy: -45.617 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: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -991.823748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.823748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.823748 (E_RNA) where: Base-Base interactions energy: -445.682 where: short stacking energy: -270.793 Base-Backbone interact. energy: 1.233 local terms energy: -547.374699 where: bonds (distance) C4'-P energy: -144.298 bonds (distance) P-C4' energy: -162.819 flat angles C4'-P-C4' energy: -152.387 flat angles P-C4'-P energy: -86.253 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -745.055551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.055551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.055551 (E_RNA) where: Base-Base interactions energy: -280.743 where: short stacking energy: -205.493 Base-Backbone interact. energy: 2.717 local terms energy: -467.029537 where: bonds (distance) C4'-P energy: -143.848 bonds (distance) P-C4' energy: -142.707 flat angles C4'-P-C4' energy: -137.878 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: 31.931 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: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3057.929043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.929043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.929043 (E_RNA) where: Base-Base interactions energy: -2043.675 where: short stacking energy: -940.303 Base-Backbone interact. energy: 1.511 local terms energy: -1015.765230 where: bonds (distance) C4'-P energy: -197.805 bonds (distance) P-C4' energy: -187.086 flat angles C4'-P-C4' energy: -211.939 flat angles P-C4'-P energy: -139.606 tors. eta vs tors. theta energy: -279.329 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: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2941.300648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.300648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.300648 (E_RNA) where: Base-Base interactions energy: -1990.810 where: short stacking energy: -898.229 Base-Backbone interact. energy: -3.189 local terms energy: -947.300985 where: bonds (distance) C4'-P energy: -164.957 bonds (distance) P-C4' energy: -179.592 flat angles C4'-P-C4' energy: -212.772 flat angles P-C4'-P energy: -122.634 tors. eta vs tors. theta energy: -267.346 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: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2714.296275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.296275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.296275 (E_RNA) where: Base-Base interactions energy: -1819.735 where: short stacking energy: -844.562 Base-Backbone interact. energy: -2.785 local terms energy: -891.776500 where: bonds (distance) C4'-P energy: -176.958 bonds (distance) P-C4' energy: -180.988 flat angles C4'-P-C4' energy: -171.841 flat angles P-C4'-P energy: -119.024 tors. eta vs tors. theta energy: -242.965 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: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2632.277148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.277148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.277148 (E_RNA) where: Base-Base interactions energy: -1757.451 where: short stacking energy: -786.579 Base-Backbone interact. energy: -3.772 local terms energy: -871.054481 where: bonds (distance) C4'-P energy: -165.812 bonds (distance) P-C4' energy: -171.801 flat angles C4'-P-C4' energy: -187.357 flat angles P-C4'-P energy: -121.303 tors. eta vs tors. theta energy: -224.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2495.088850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.088850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.088850 (E_RNA) where: Base-Base interactions energy: -1644.976 where: short stacking energy: -737.699 Base-Backbone interact. energy: -5.013 local terms energy: -845.099732 where: bonds (distance) C4'-P energy: -174.785 bonds (distance) P-C4' energy: -149.417 flat angles C4'-P-C4' energy: -196.065 flat angles P-C4'-P energy: -129.282 tors. eta vs tors. theta energy: -195.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2190.065845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.065845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.065845 (E_RNA) where: Base-Base interactions energy: -1437.841 where: short stacking energy: -684.109 Base-Backbone interact. energy: -1.492 local terms energy: -750.732751 where: bonds (distance) C4'-P energy: -160.914 bonds (distance) P-C4' energy: -151.885 flat angles C4'-P-C4' energy: -171.287 flat angles P-C4'-P energy: -107.077 tors. eta vs tors. theta energy: -159.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1847.872894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.872894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.872894 (E_RNA) where: Base-Base interactions energy: -1179.059 where: short stacking energy: -533.153 Base-Backbone interact. energy: -0.456 local terms energy: -668.358214 where: bonds (distance) C4'-P energy: -136.587 bonds (distance) P-C4' energy: -157.187 flat angles C4'-P-C4' energy: -167.211 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -112.306 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: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1462.261499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.261499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.261499 (E_RNA) where: Base-Base interactions energy: -838.991 where: short stacking energy: -414.922 Base-Backbone interact. energy: -0.706 local terms energy: -622.563607 where: bonds (distance) C4'-P energy: -156.927 bonds (distance) P-C4' energy: -161.631 flat angles C4'-P-C4' energy: -144.974 flat angles P-C4'-P energy: -99.027 tors. eta vs tors. theta energy: -60.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1041.927924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.927924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.927924 (E_RNA) where: Base-Base interactions energy: -528.568 where: short stacking energy: -270.193 Base-Backbone interact. energy: 1.203 local terms energy: -514.562864 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -152.204 flat angles C4'-P-C4' energy: -116.312 flat angles P-C4'-P energy: -83.974 tors. eta vs tors. theta energy: -16.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -737.533076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.533076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.533076 (E_RNA) where: Base-Base interactions energy: -274.081 where: short stacking energy: -181.143 Base-Backbone interact. energy: -0.886 local terms energy: -462.566309 where: bonds (distance) C4'-P energy: -150.773 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -123.098 flat angles P-C4'-P energy: -79.183 tors. eta vs tors. theta energy: 30.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3104.322084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.322084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.322084 (E_RNA) where: Base-Base interactions energy: -2122.361 where: short stacking energy: -976.764 Base-Backbone interact. energy: 3.687 local terms energy: -985.647941 where: bonds (distance) C4'-P energy: -173.170 bonds (distance) P-C4' energy: -184.261 flat angles C4'-P-C4' energy: -204.587 flat angles P-C4'-P energy: -138.892 tors. eta vs tors. theta energy: -284.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2962.452783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.452783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.452783 (E_RNA) where: Base-Base interactions energy: -2001.680 where: short stacking energy: -910.547 Base-Backbone interact. energy: -5.017 local terms energy: -955.755506 where: bonds (distance) C4'-P energy: -186.545 bonds (distance) P-C4' energy: -186.782 flat angles C4'-P-C4' energy: -187.978 flat angles P-C4'-P energy: -131.072 tors. eta vs tors. theta energy: -263.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2773.668158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.668158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.668158 (E_RNA) where: Base-Base interactions energy: -1829.578 where: short stacking energy: -863.537 Base-Backbone interact. energy: -0.952 local terms energy: -943.137794 where: bonds (distance) C4'-P energy: -183.355 bonds (distance) P-C4' energy: -170.075 flat angles C4'-P-C4' energy: -200.834 flat angles P-C4'-P energy: -131.260 tors. eta vs tors. theta energy: -257.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2572.384282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.384282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.384282 (E_RNA) where: Base-Base interactions energy: -1729.364 where: short stacking energy: -746.131 Base-Backbone interact. energy: -1.184 local terms energy: -841.835889 where: bonds (distance) C4'-P energy: -161.935 bonds (distance) P-C4' energy: -163.425 flat angles C4'-P-C4' energy: -190.835 flat angles P-C4'-P energy: -130.968 tors. eta vs tors. theta energy: -194.673 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: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2534.512565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.512565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.512565 (E_RNA) where: Base-Base interactions energy: -1651.860 where: short stacking energy: -762.455 Base-Backbone interact. energy: 4.918 local terms energy: -887.570401 where: bonds (distance) C4'-P energy: -167.431 bonds (distance) P-C4' energy: -170.572 flat angles C4'-P-C4' energy: -194.519 flat angles P-C4'-P energy: -129.904 tors. eta vs tors. theta energy: -225.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2222.421994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.421994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.421994 (E_RNA) where: Base-Base interactions energy: -1459.013 where: short stacking energy: -672.947 Base-Backbone interact. energy: -2.709 local terms energy: -760.700792 where: bonds (distance) C4'-P energy: -154.663 bonds (distance) P-C4' energy: -159.740 flat angles C4'-P-C4' energy: -164.717 flat angles P-C4'-P energy: -115.085 tors. eta vs tors. theta energy: -166.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1889.144636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.144636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.144636 (E_RNA) where: Base-Base interactions energy: -1177.218 where: short stacking energy: -560.071 Base-Backbone interact. energy: -1.438 local terms energy: -710.488499 where: bonds (distance) C4'-P energy: -150.509 bonds (distance) P-C4' energy: -160.281 flat angles C4'-P-C4' energy: -165.851 flat angles P-C4'-P energy: -99.038 tors. eta vs tors. theta energy: -134.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1548.376718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.376718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.376718 (E_RNA) where: Base-Base interactions energy: -943.102 where: short stacking energy: -466.287 Base-Backbone interact. energy: 0.099 local terms energy: -605.373948 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -168.602 flat angles C4'-P-C4' energy: -159.630 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: -82.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1001.999354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.999354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.999354 (E_RNA) where: Base-Base interactions energy: -519.779 where: short stacking energy: -274.346 Base-Backbone interact. energy: 10.181 local terms energy: -492.400967 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -136.353 flat angles P-C4'-P energy: -85.404 tors. eta vs tors. theta energy: 12.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -720.229407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.229407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.229407 (E_RNA) where: Base-Base interactions energy: -236.894 where: short stacking energy: -174.498 Base-Backbone interact. energy: 0.079 local terms energy: -483.414621 where: bonds (distance) C4'-P energy: -163.670 bonds (distance) P-C4' energy: -162.788 flat angles C4'-P-C4' energy: -116.507 flat angles P-C4'-P energy: -84.216 tors. eta vs tors. theta energy: 43.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3009.889876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.889876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.889876 (E_RNA) where: Base-Base interactions energy: -2023.325 where: short stacking energy: -942.284 Base-Backbone interact. energy: -2.438 local terms energy: -984.126391 where: bonds (distance) C4'-P energy: -176.906 bonds (distance) P-C4' energy: -168.723 flat angles C4'-P-C4' energy: -215.299 flat angles P-C4'-P energy: -150.811 tors. eta vs tors. theta energy: -272.388 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: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -3008.839640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.839640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.839640 (E_RNA) where: Base-Base interactions energy: -2036.283 where: short stacking energy: -922.966 Base-Backbone interact. energy: -4.715 local terms energy: -967.842179 where: bonds (distance) C4'-P energy: -172.322 bonds (distance) P-C4' energy: -177.498 flat angles C4'-P-C4' energy: -211.442 flat angles P-C4'-P energy: -141.648 tors. eta vs tors. theta energy: -264.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2751.970949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.970949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.970949 (E_RNA) where: Base-Base interactions energy: -1819.354 where: short stacking energy: -847.483 Base-Backbone interact. energy: -4.045 local terms energy: -928.571782 where: bonds (distance) C4'-P energy: -180.698 bonds (distance) P-C4' energy: -173.635 flat angles C4'-P-C4' energy: -182.045 flat angles P-C4'-P energy: -142.498 tors. eta vs tors. theta energy: -249.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2593.425319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.425319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.425319 (E_RNA) where: Base-Base interactions energy: -1740.166 where: short stacking energy: -755.107 Base-Backbone interact. energy: 2.972 local terms energy: -856.231181 where: bonds (distance) C4'-P energy: -173.882 bonds (distance) P-C4' energy: -181.656 flat angles C4'-P-C4' energy: -182.364 flat angles P-C4'-P energy: -111.414 tors. eta vs tors. theta energy: -206.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2447.127658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.127658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.127658 (E_RNA) where: Base-Base interactions energy: -1643.364 where: short stacking energy: -734.608 Base-Backbone interact. energy: -2.476 local terms energy: -801.287797 where: bonds (distance) C4'-P energy: -161.271 bonds (distance) P-C4' energy: -160.869 flat angles C4'-P-C4' energy: -172.250 flat angles P-C4'-P energy: -119.333 tors. eta vs tors. theta energy: -187.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2248.880872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.880872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.880872 (E_RNA) where: Base-Base interactions energy: -1477.343 where: short stacking energy: -657.871 Base-Backbone interact. energy: -1.555 local terms energy: -769.983208 where: bonds (distance) C4'-P energy: -154.111 bonds (distance) P-C4' energy: -141.521 flat angles C4'-P-C4' energy: -183.761 flat angles P-C4'-P energy: -123.738 tors. eta vs tors. theta energy: -166.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1893.728341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.728341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.728341 (E_RNA) where: Base-Base interactions energy: -1220.905 where: short stacking energy: -568.221 Base-Backbone interact. energy: -2.047 local terms energy: -670.776290 where: bonds (distance) C4'-P energy: -173.986 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -151.950 flat angles P-C4'-P energy: -91.397 tors. eta vs tors. theta energy: -106.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1579.891529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.891529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.891529 (E_RNA) where: Base-Base interactions energy: -905.528 where: short stacking energy: -469.167 Base-Backbone interact. energy: -3.393 local terms energy: -670.970944 where: bonds (distance) C4'-P energy: -156.365 bonds (distance) P-C4' energy: -167.194 flat angles C4'-P-C4' energy: -154.372 flat angles P-C4'-P energy: -98.759 tors. eta vs tors. theta energy: -94.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -958.272041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.272041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.272041 (E_RNA) where: Base-Base interactions energy: -446.464 where: short stacking energy: -287.327 Base-Backbone interact. energy: 4.153 local terms energy: -515.960977 where: bonds (distance) C4'-P energy: -163.936 bonds (distance) P-C4' energy: -156.021 flat angles C4'-P-C4' energy: -133.399 flat angles P-C4'-P energy: -74.173 tors. eta vs tors. theta energy: 11.568 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: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -710.300141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.300141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.300141 (E_RNA) where: Base-Base interactions energy: -240.145 where: short stacking energy: -200.316 Base-Backbone interact. energy: 4.537 local terms energy: -474.692032 where: bonds (distance) C4'-P energy: -146.229 bonds (distance) P-C4' energy: -156.725 flat angles C4'-P-C4' energy: -117.359 flat angles P-C4'-P energy: -82.482 tors. eta vs tors. theta energy: 28.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2979.249694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.249694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.249694 (E_RNA) where: Base-Base interactions energy: -2005.278 where: short stacking energy: -902.387 Base-Backbone interact. energy: -4.938 local terms energy: -969.032914 where: bonds (distance) C4'-P energy: -181.853 bonds (distance) P-C4' energy: -184.345 flat angles C4'-P-C4' energy: -210.923 flat angles P-C4'-P energy: -130.303 tors. eta vs tors. theta energy: -261.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2974.202397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.202397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.202397 (E_RNA) where: Base-Base interactions energy: -1996.170 where: short stacking energy: -907.035 Base-Backbone interact. energy: -5.629 local terms energy: -972.403800 where: bonds (distance) C4'-P energy: -168.439 bonds (distance) P-C4' energy: -182.758 flat angles C4'-P-C4' energy: -212.373 flat angles P-C4'-P energy: -135.597 tors. eta vs tors. theta energy: -273.237 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: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2735.210978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.210978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.210978 (E_RNA) where: Base-Base interactions energy: -1810.439 where: short stacking energy: -856.877 Base-Backbone interact. energy: -0.367 local terms energy: -924.405783 where: bonds (distance) C4'-P energy: -178.121 bonds (distance) P-C4' energy: -162.802 flat angles C4'-P-C4' energy: -201.936 flat angles P-C4'-P energy: -130.044 tors. eta vs tors. theta energy: -251.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2640.218140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.218140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.218140 (E_RNA) where: Base-Base interactions energy: -1757.573 where: short stacking energy: -794.477 Base-Backbone interact. energy: -2.396 local terms energy: -880.248931 where: bonds (distance) C4'-P energy: -167.510 bonds (distance) P-C4' energy: -166.799 flat angles C4'-P-C4' energy: -193.911 flat angles P-C4'-P energy: -135.273 tors. eta vs tors. theta energy: -216.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2435.582090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.582090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.582090 (E_RNA) where: Base-Base interactions energy: -1626.015 where: short stacking energy: -751.779 Base-Backbone interact. energy: -2.237 local terms energy: -807.330096 where: bonds (distance) C4'-P energy: -149.792 bonds (distance) P-C4' energy: -157.289 flat angles C4'-P-C4' energy: -170.469 flat angles P-C4'-P energy: -112.713 tors. eta vs tors. theta energy: -217.066 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: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2216.171117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.171117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.171117 (E_RNA) where: Base-Base interactions energy: -1459.975 where: short stacking energy: -657.605 Base-Backbone interact. energy: -1.710 local terms energy: -754.485636 where: bonds (distance) C4'-P energy: -157.301 bonds (distance) P-C4' energy: -169.769 flat angles C4'-P-C4' energy: -171.275 flat angles P-C4'-P energy: -107.191 tors. eta vs tors. theta energy: -148.949 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: 219 Temperature: 1.200000 Total energy: -1839.112930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.112930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.112930 (E_RNA) where: Base-Base interactions energy: -1172.536 where: short stacking energy: -568.170 Base-Backbone interact. energy: -0.623 local terms energy: -665.953851 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -135.491 flat angles C4'-P-C4' energy: -162.642 flat angles P-C4'-P energy: -99.852 tors. eta vs tors. theta energy: -120.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1644.900527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.900527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.900527 (E_RNA) where: Base-Base interactions energy: -985.161 where: short stacking energy: -513.031 Base-Backbone interact. energy: -3.727 local terms energy: -656.012471 where: bonds (distance) C4'-P energy: -147.362 bonds (distance) P-C4' energy: -140.632 flat angles C4'-P-C4' energy: -149.619 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -120.380 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: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -966.348654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.348654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.348654 (E_RNA) where: Base-Base interactions energy: -462.128 where: short stacking energy: -267.696 Base-Backbone interact. energy: 1.002 local terms energy: -505.222218 where: bonds (distance) C4'-P energy: -170.384 bonds (distance) P-C4' energy: -169.530 flat angles C4'-P-C4' energy: -94.582 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: 8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -707.961062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.961062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.961062 (E_RNA) where: Base-Base interactions energy: -292.069 where: short stacking energy: -201.566 Base-Backbone interact. energy: 7.233 local terms energy: -423.125476 where: bonds (distance) C4'-P energy: -124.054 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -107.817 flat angles P-C4'-P energy: -75.114 tors. eta vs tors. theta energy: 44.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3088.492383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.492383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.492383 (E_RNA) where: Base-Base interactions energy: -2091.874 where: short stacking energy: -926.550 Base-Backbone interact. energy: -3.532 local terms energy: -993.085832 where: bonds (distance) C4'-P energy: -177.807 bonds (distance) P-C4' energy: -185.856 flat angles C4'-P-C4' energy: -207.966 flat angles P-C4'-P energy: -142.712 tors. eta vs tors. theta energy: -278.745 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: 220 Temperature: 0.950000 Total energy: -2946.145370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.145370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.145370 (E_RNA) where: Base-Base interactions energy: -1999.262 where: short stacking energy: -889.187 Base-Backbone interact. energy: -5.616 local terms energy: -941.266786 where: bonds (distance) C4'-P energy: -175.049 bonds (distance) P-C4' energy: -185.512 flat angles C4'-P-C4' energy: -193.427 flat angles P-C4'-P energy: -132.350 tors. eta vs tors. theta energy: -254.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2766.949603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.949603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.949603 (E_RNA) where: Base-Base interactions energy: -1824.508 where: short stacking energy: -864.883 Base-Backbone interact. energy: -3.745 local terms energy: -938.697144 where: bonds (distance) C4'-P energy: -175.160 bonds (distance) P-C4' energy: -187.015 flat angles C4'-P-C4' energy: -194.856 flat angles P-C4'-P energy: -140.945 tors. eta vs tors. theta energy: -240.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2635.101313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.101313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.101313 (E_RNA) where: Base-Base interactions energy: -1783.522 where: short stacking energy: -805.110 Base-Backbone interact. energy: 5.141 local terms energy: -856.719845 where: bonds (distance) C4'-P energy: -175.371 bonds (distance) P-C4' energy: -156.216 flat angles C4'-P-C4' energy: -173.677 flat angles P-C4'-P energy: -123.994 tors. eta vs tors. theta energy: -227.461 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: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2509.030268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.030268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.030268 (E_RNA) where: Base-Base interactions energy: -1654.902 where: short stacking energy: -765.313 Base-Backbone interact. energy: -1.122 local terms energy: -853.006133 where: bonds (distance) C4'-P energy: -151.726 bonds (distance) P-C4' energy: -171.310 flat angles C4'-P-C4' energy: -194.860 flat angles P-C4'-P energy: -111.394 tors. eta vs tors. theta energy: -223.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2201.392681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.392681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.392681 (E_RNA) where: Base-Base interactions energy: -1445.380 where: short stacking energy: -663.372 Base-Backbone interact. energy: -4.933 local terms energy: -751.079478 where: bonds (distance) C4'-P energy: -157.432 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -153.483 flat angles P-C4'-P energy: -113.583 tors. eta vs tors. theta energy: -152.586 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: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1881.828186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.828186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.828186 (E_RNA) where: Base-Base interactions energy: -1191.330 where: short stacking energy: -579.807 Base-Backbone interact. energy: 5.824 local terms energy: -696.322230 where: bonds (distance) C4'-P energy: -159.580 bonds (distance) P-C4' energy: -148.349 flat angles C4'-P-C4' energy: -155.281 flat angles P-C4'-P energy: -100.770 tors. eta vs tors. theta energy: -132.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1583.156072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.156072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.156072 (E_RNA) where: Base-Base interactions energy: -1005.084 where: short stacking energy: -507.626 Base-Backbone interact. energy: -0.125 local terms energy: -577.946403 where: bonds (distance) C4'-P energy: -151.686 bonds (distance) P-C4' energy: -139.884 flat angles C4'-P-C4' energy: -131.845 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: -81.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -999.174287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.174287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.174287 (E_RNA) where: Base-Base interactions energy: -479.514 where: short stacking energy: -275.172 Base-Backbone interact. energy: -0.760 local terms energy: -518.900508 where: bonds (distance) C4'-P energy: -165.557 bonds (distance) P-C4' energy: -152.490 flat angles C4'-P-C4' energy: -149.222 flat angles P-C4'-P energy: -46.893 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -792.295716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.295716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.295716 (E_RNA) where: Base-Base interactions energy: -312.641 where: short stacking energy: -248.012 Base-Backbone interact. energy: 4.108 local terms energy: -483.762603 where: bonds (distance) C4'-P energy: -164.964 bonds (distance) P-C4' energy: -149.339 flat angles C4'-P-C4' energy: -109.440 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: 13.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3059.538937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.538937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.538937 (E_RNA) where: Base-Base interactions energy: -2080.176 where: short stacking energy: -960.409 Base-Backbone interact. energy: -2.717 local terms energy: -976.646002 where: bonds (distance) C4'-P energy: -182.268 bonds (distance) P-C4' energy: -180.132 flat angles C4'-P-C4' energy: -205.345 flat angles P-C4'-P energy: -134.145 tors. eta vs tors. theta energy: -274.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2904.931753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.931753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.931753 (E_RNA) where: Base-Base interactions energy: -1968.134 where: short stacking energy: -886.769 Base-Backbone interact. energy: -2.385 local terms energy: -934.412127 where: bonds (distance) C4'-P energy: -161.159 bonds (distance) P-C4' energy: -190.192 flat angles C4'-P-C4' energy: -190.153 flat angles P-C4'-P energy: -126.307 tors. eta vs tors. theta energy: -266.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2756.874730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.874730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.874730 (E_RNA) where: Base-Base interactions energy: -1834.492 where: short stacking energy: -872.342 Base-Backbone interact. energy: 2.268 local terms energy: -924.651132 where: bonds (distance) C4'-P energy: -173.056 bonds (distance) P-C4' energy: -160.718 flat angles C4'-P-C4' energy: -206.517 flat angles P-C4'-P energy: -134.775 tors. eta vs tors. theta energy: -249.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2668.587396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.587396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.587396 (E_RNA) where: Base-Base interactions energy: -1760.137 where: short stacking energy: -800.838 Base-Backbone interact. energy: -4.745 local terms energy: -903.705581 where: bonds (distance) C4'-P energy: -166.708 bonds (distance) P-C4' energy: -188.993 flat angles C4'-P-C4' energy: -195.735 flat angles P-C4'-P energy: -125.141 tors. eta vs tors. theta energy: -227.129 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: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2424.306486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.306486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.306486 (E_RNA) where: Base-Base interactions energy: -1570.811 where: short stacking energy: -717.564 Base-Backbone interact. energy: -2.137 local terms energy: -851.357939 where: bonds (distance) C4'-P energy: -161.074 bonds (distance) P-C4' energy: -180.802 flat angles C4'-P-C4' energy: -181.782 flat angles P-C4'-P energy: -124.826 tors. eta vs tors. theta energy: -202.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2274.837434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.837434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.837434 (E_RNA) where: Base-Base interactions energy: -1494.308 where: short stacking energy: -668.040 Base-Backbone interact. energy: -3.021 local terms energy: -777.507925 where: bonds (distance) C4'-P energy: -165.066 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -112.052 tors. eta vs tors. theta energy: -179.636 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: 221 Temperature: 1.200000 Total energy: -1892.627843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.627843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.627843 (E_RNA) where: Base-Base interactions energy: -1184.494 where: short stacking energy: -550.481 Base-Backbone interact. energy: 3.973 local terms energy: -712.107692 where: bonds (distance) C4'-P energy: -147.278 bonds (distance) P-C4' energy: -173.933 flat angles C4'-P-C4' energy: -169.216 flat angles P-C4'-P energy: -98.194 tors. eta vs tors. theta energy: -123.487 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: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1525.397843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.397843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.397843 (E_RNA) where: Base-Base interactions energy: -893.841 where: short stacking energy: -413.334 Base-Backbone interact. energy: 1.387 local terms energy: -632.944170 where: bonds (distance) C4'-P energy: -146.058 bonds (distance) P-C4' energy: -163.968 flat angles C4'-P-C4' energy: -154.439 flat angles P-C4'-P energy: -99.331 tors. eta vs tors. theta energy: -69.149 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: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1060.378391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.378391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.378391 (E_RNA) where: Base-Base interactions energy: -517.203 where: short stacking energy: -307.446 Base-Backbone interact. energy: 5.833 local terms energy: -549.007779 where: bonds (distance) C4'-P energy: -158.227 bonds (distance) P-C4' energy: -136.207 flat angles C4'-P-C4' energy: -140.410 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -19.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -851.581777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.581777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.581777 (E_RNA) where: Base-Base interactions energy: -412.824 where: short stacking energy: -252.309 Base-Backbone interact. energy: 0.289 local terms energy: -439.046941 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -136.850 flat angles C4'-P-C4' energy: -124.370 flat angles P-C4'-P energy: -68.067 tors. eta vs tors. theta energy: 21.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3087.579316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.579316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.579316 (E_RNA) where: Base-Base interactions energy: -2079.487 where: short stacking energy: -932.066 Base-Backbone interact. energy: 1.214 local terms energy: -1009.306574 where: bonds (distance) C4'-P energy: -184.268 bonds (distance) P-C4' energy: -191.102 flat angles C4'-P-C4' energy: -222.888 flat angles P-C4'-P energy: -138.959 tors. eta vs tors. theta energy: -272.090 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: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2884.454853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.454853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.454853 (E_RNA) where: Base-Base interactions energy: -1932.420 where: short stacking energy: -867.382 Base-Backbone interact. energy: -2.943 local terms energy: -949.092033 where: bonds (distance) C4'-P energy: -175.890 bonds (distance) P-C4' energy: -170.728 flat angles C4'-P-C4' energy: -200.255 flat angles P-C4'-P energy: -145.431 tors. eta vs tors. theta energy: -256.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2706.376752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.376752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.376752 (E_RNA) where: Base-Base interactions energy: -1793.520 where: short stacking energy: -823.987 Base-Backbone interact. energy: -1.762 local terms energy: -911.094770 where: bonds (distance) C4'-P energy: -161.176 bonds (distance) P-C4' energy: -176.066 flat angles C4'-P-C4' energy: -202.493 flat angles P-C4'-P energy: -133.674 tors. eta vs tors. theta energy: -237.686 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: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2648.610571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.610571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.610571 (E_RNA) where: Base-Base interactions energy: -1769.947 where: short stacking energy: -795.584 Base-Backbone interact. energy: -3.011 local terms energy: -875.652533 where: bonds (distance) C4'-P energy: -182.011 bonds (distance) P-C4' energy: -181.032 flat angles C4'-P-C4' energy: -178.947 flat angles P-C4'-P energy: -118.393 tors. eta vs tors. theta energy: -215.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2493.809055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.809055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.809055 (E_RNA) where: Base-Base interactions energy: -1690.043 where: short stacking energy: -777.728 Base-Backbone interact. energy: -0.120 local terms energy: -803.646368 where: bonds (distance) C4'-P energy: -133.938 bonds (distance) P-C4' energy: -155.426 flat angles C4'-P-C4' energy: -188.169 flat angles P-C4'-P energy: -123.912 tors. eta vs tors. theta energy: -202.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2218.683571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.683571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.683571 (E_RNA) where: Base-Base interactions energy: -1480.207 where: short stacking energy: -674.017 Base-Backbone interact. energy: -5.615 local terms energy: -732.862110 where: bonds (distance) C4'-P energy: -154.429 bonds (distance) P-C4' energy: -153.762 flat angles C4'-P-C4' energy: -174.960 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -165.216 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: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1883.170802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.170802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.170802 (E_RNA) where: Base-Base interactions energy: -1228.526 where: short stacking energy: -537.202 Base-Backbone interact. energy: -2.088 local terms energy: -652.557105 where: bonds (distance) C4'-P energy: -152.460 bonds (distance) P-C4' energy: -153.972 flat angles C4'-P-C4' energy: -156.179 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -110.390 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: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1566.875312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.875312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.875312 (E_RNA) where: Base-Base interactions energy: -959.661 where: short stacking energy: -475.187 Base-Backbone interact. energy: 4.787 local terms energy: -612.000806 where: bonds (distance) C4'-P energy: -125.479 bonds (distance) P-C4' energy: -149.800 flat angles C4'-P-C4' energy: -144.461 flat angles P-C4'-P energy: -98.547 tors. eta vs tors. theta energy: -93.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1037.133983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.133983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.133983 (E_RNA) where: Base-Base interactions energy: -511.422 where: short stacking energy: -299.414 Base-Backbone interact. energy: -2.903 local terms energy: -522.808415 where: bonds (distance) C4'-P energy: -155.408 bonds (distance) P-C4' energy: -152.452 flat angles C4'-P-C4' energy: -123.615 flat angles P-C4'-P energy: -70.910 tors. eta vs tors. theta energy: -20.423 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: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -847.403295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.403295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.403295 (E_RNA) where: Base-Base interactions energy: -382.151 where: short stacking energy: -245.015 Base-Backbone interact. energy: 1.198 local terms energy: -466.450417 where: bonds (distance) C4'-P energy: -127.218 bonds (distance) P-C4' energy: -157.086 flat angles C4'-P-C4' energy: -130.357 flat angles P-C4'-P energy: -58.755 tors. eta vs tors. theta energy: 6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3094.421952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.421952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.421952 (E_RNA) where: Base-Base interactions energy: -2086.618 where: short stacking energy: -954.043 Base-Backbone interact. energy: -0.921 local terms energy: -1006.883344 where: bonds (distance) C4'-P energy: -167.745 bonds (distance) P-C4' energy: -185.368 flat angles C4'-P-C4' energy: -222.742 flat angles P-C4'-P energy: -150.267 tors. eta vs tors. theta energy: -280.761 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: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2949.122136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.122136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.122136 (E_RNA) where: Base-Base interactions energy: -1992.404 where: short stacking energy: -907.508 Base-Backbone interact. energy: -1.917 local terms energy: -954.801476 where: bonds (distance) C4'-P energy: -169.369 bonds (distance) P-C4' energy: -182.817 flat angles C4'-P-C4' energy: -201.552 flat angles P-C4'-P energy: -127.220 tors. eta vs tors. theta energy: -273.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2698.376734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.376734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.376734 (E_RNA) where: Base-Base interactions energy: -1768.351 where: short stacking energy: -839.203 Base-Backbone interact. energy: -1.367 local terms energy: -928.658407 where: bonds (distance) C4'-P energy: -179.630 bonds (distance) P-C4' energy: -182.832 flat angles C4'-P-C4' energy: -201.085 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -253.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2652.340670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.340670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.340670 (E_RNA) where: Base-Base interactions energy: -1760.888 where: short stacking energy: -777.282 Base-Backbone interact. energy: 2.291 local terms energy: -893.743092 where: bonds (distance) C4'-P energy: -182.801 bonds (distance) P-C4' energy: -191.044 flat angles C4'-P-C4' energy: -186.038 flat angles P-C4'-P energy: -121.753 tors. eta vs tors. theta energy: -212.107 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: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2507.467258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.467258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.467258 (E_RNA) where: Base-Base interactions energy: -1664.671 where: short stacking energy: -740.970 Base-Backbone interact. energy: -5.090 local terms energy: -837.706286 where: bonds (distance) C4'-P energy: -175.160 bonds (distance) P-C4' energy: -171.084 flat angles C4'-P-C4' energy: -164.073 flat angles P-C4'-P energy: -129.727 tors. eta vs tors. theta energy: -197.662 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: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2148.389524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.389524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.389524 (E_RNA) where: Base-Base interactions energy: -1391.381 where: short stacking energy: -624.649 Base-Backbone interact. energy: 3.256 local terms energy: -760.264776 where: bonds (distance) C4'-P energy: -160.653 bonds (distance) P-C4' energy: -163.797 flat angles C4'-P-C4' energy: -190.194 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -154.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1861.120537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.120537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.120537 (E_RNA) where: Base-Base interactions energy: -1183.535 where: short stacking energy: -553.404 Base-Backbone interact. energy: 0.213 local terms energy: -677.798737 where: bonds (distance) C4'-P energy: -160.166 bonds (distance) P-C4' energy: -150.578 flat angles C4'-P-C4' energy: -163.219 flat angles P-C4'-P energy: -85.211 tors. eta vs tors. theta energy: -118.623 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: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1528.725717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.725717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.725717 (E_RNA) where: Base-Base interactions energy: -905.312 where: short stacking energy: -447.782 Base-Backbone interact. energy: 1.261 local terms energy: -624.674820 where: bonds (distance) C4'-P energy: -135.557 bonds (distance) P-C4' energy: -144.753 flat angles C4'-P-C4' energy: -152.328 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -83.537 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: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1037.610931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.610931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.610931 (E_RNA) where: Base-Base interactions energy: -545.717 where: short stacking energy: -285.337 Base-Backbone interact. energy: 2.993 local terms energy: -494.887483 where: bonds (distance) C4'-P energy: -158.004 bonds (distance) P-C4' energy: -129.238 flat angles C4'-P-C4' energy: -140.553 flat angles P-C4'-P energy: -75.829 tors. eta vs tors. theta energy: 8.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -878.247883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.247883 (E_RNA) where: Base-Base interactions energy: -385.046 where: short stacking energy: -240.864 Base-Backbone interact. energy: 1.025 local terms energy: -494.226546 where: bonds (distance) C4'-P energy: -153.407 bonds (distance) P-C4' energy: -157.900 flat angles C4'-P-C4' energy: -119.120 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: 27.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3006.241522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.241522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.241522 (E_RNA) where: Base-Base interactions energy: -2000.758 where: short stacking energy: -929.779 Base-Backbone interact. energy: -3.381 local terms energy: -1002.102065 where: bonds (distance) C4'-P energy: -184.223 bonds (distance) P-C4' energy: -188.970 flat angles C4'-P-C4' energy: -210.356 flat angles P-C4'-P energy: -135.779 tors. eta vs tors. theta energy: -282.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2973.922734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.922734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.922734 (E_RNA) where: Base-Base interactions energy: -2014.637 where: short stacking energy: -904.172 Base-Backbone interact. energy: -3.308 local terms energy: -955.977628 where: bonds (distance) C4'-P energy: -167.093 bonds (distance) P-C4' energy: -195.602 flat angles C4'-P-C4' energy: -203.409 flat angles P-C4'-P energy: -125.835 tors. eta vs tors. theta energy: -264.039 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: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2739.460092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.460092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.460092 (E_RNA) where: Base-Base interactions energy: -1834.433 where: short stacking energy: -884.002 Base-Backbone interact. energy: -0.881 local terms energy: -904.146437 where: bonds (distance) C4'-P energy: -149.008 bonds (distance) P-C4' energy: -179.065 flat angles C4'-P-C4' energy: -192.806 flat angles P-C4'-P energy: -135.321 tors. eta vs tors. theta energy: -247.946 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: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2616.528932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.528932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.528932 (E_RNA) where: Base-Base interactions energy: -1750.242 where: short stacking energy: -790.612 Base-Backbone interact. energy: -1.906 local terms energy: -864.380552 where: bonds (distance) C4'-P energy: -170.892 bonds (distance) P-C4' energy: -175.768 flat angles C4'-P-C4' energy: -176.514 flat angles P-C4'-P energy: -132.845 tors. eta vs tors. theta energy: -208.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2466.769037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.769037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.769037 (E_RNA) where: Base-Base interactions energy: -1656.728 where: short stacking energy: -734.745 Base-Backbone interact. energy: -2.762 local terms energy: -807.278690 where: bonds (distance) C4'-P energy: -157.732 bonds (distance) P-C4' energy: -168.245 flat angles C4'-P-C4' energy: -160.949 flat angles P-C4'-P energy: -119.119 tors. eta vs tors. theta energy: -201.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2123.288005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.288005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.288005 (E_RNA) where: Base-Base interactions energy: -1376.643 where: short stacking energy: -622.075 Base-Backbone interact. energy: 0.200 local terms energy: -746.844626 where: bonds (distance) C4'-P energy: -174.995 bonds (distance) P-C4' energy: -153.866 flat angles C4'-P-C4' energy: -170.723 flat angles P-C4'-P energy: -95.243 tors. eta vs tors. theta energy: -152.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1824.521091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.521091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.521091 (E_RNA) where: Base-Base interactions energy: -1138.294 where: short stacking energy: -522.099 Base-Backbone interact. energy: -1.768 local terms energy: -684.459016 where: bonds (distance) C4'-P energy: -142.799 bonds (distance) P-C4' energy: -165.398 flat angles C4'-P-C4' energy: -168.623 flat angles P-C4'-P energy: -89.115 tors. eta vs tors. theta energy: -118.524 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1521.345623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.345623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.345623 (E_RNA) where: Base-Base interactions energy: -876.911 where: short stacking energy: -437.643 Base-Backbone interact. energy: -1.926 local terms energy: -642.509425 where: bonds (distance) C4'-P energy: -159.854 bonds (distance) P-C4' energy: -149.531 flat angles C4'-P-C4' energy: -148.238 flat angles P-C4'-P energy: -100.967 tors. eta vs tors. theta energy: -83.920 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: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1014.046794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.046794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.046794 (E_RNA) where: Base-Base interactions energy: -518.890 where: short stacking energy: -279.866 Base-Backbone interact. energy: 6.166 local terms energy: -501.322390 where: bonds (distance) C4'-P energy: -143.826 bonds (distance) P-C4' energy: -146.836 flat angles C4'-P-C4' energy: -142.745 flat angles P-C4'-P energy: -78.358 tors. eta vs tors. theta energy: 10.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -841.808987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.808987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.808987 (E_RNA) where: Base-Base interactions energy: -403.559 where: short stacking energy: -237.214 Base-Backbone interact. energy: 3.678 local terms energy: -441.928275 where: bonds (distance) C4'-P energy: -152.020 bonds (distance) P-C4' energy: -138.713 flat angles C4'-P-C4' energy: -120.295 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: 23.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3003.886528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.886528 (E_RNA) where: Base-Base interactions energy: -2019.421 where: short stacking energy: -931.742 Base-Backbone interact. energy: -4.551 local terms energy: -979.915212 where: bonds (distance) C4'-P energy: -176.077 bonds (distance) P-C4' energy: -180.438 flat angles C4'-P-C4' energy: -203.706 flat angles P-C4'-P energy: -144.052 tors. eta vs tors. theta energy: -275.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2972.359063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.359063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.359063 (E_RNA) where: Base-Base interactions energy: -2006.786 where: short stacking energy: -901.215 Base-Backbone interact. energy: -1.411 local terms energy: -964.161855 where: bonds (distance) C4'-P energy: -175.079 bonds (distance) P-C4' energy: -176.302 flat angles C4'-P-C4' energy: -205.612 flat angles P-C4'-P energy: -138.406 tors. eta vs tors. theta energy: -268.763 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: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2740.547151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.547151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.547151 (E_RNA) where: Base-Base interactions energy: -1800.564 where: short stacking energy: -843.220 Base-Backbone interact. energy: 0.438 local terms energy: -940.421075 where: bonds (distance) C4'-P energy: -172.005 bonds (distance) P-C4' energy: -188.224 flat angles C4'-P-C4' energy: -197.701 flat angles P-C4'-P energy: -133.112 tors. eta vs tors. theta energy: -249.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2647.865655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.865655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.865655 (E_RNA) where: Base-Base interactions energy: -1782.719 where: short stacking energy: -821.362 Base-Backbone interact. energy: 0.859 local terms energy: -866.005064 where: bonds (distance) C4'-P energy: -165.296 bonds (distance) P-C4' energy: -166.376 flat angles C4'-P-C4' energy: -189.686 flat angles P-C4'-P energy: -122.791 tors. eta vs tors. theta energy: -221.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2471.732607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.732607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.732607 (E_RNA) where: Base-Base interactions energy: -1662.044 where: short stacking energy: -757.085 Base-Backbone interact. energy: -0.358 local terms energy: -809.330465 where: bonds (distance) C4'-P energy: -157.528 bonds (distance) P-C4' energy: -154.253 flat angles C4'-P-C4' energy: -193.980 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -193.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2108.731832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.731832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.731832 (E_RNA) where: Base-Base interactions energy: -1399.717 where: short stacking energy: -622.155 Base-Backbone interact. energy: -4.365 local terms energy: -704.649438 where: bonds (distance) C4'-P energy: -146.001 bonds (distance) P-C4' energy: -155.728 flat angles C4'-P-C4' energy: -161.872 flat angles P-C4'-P energy: -86.469 tors. eta vs tors. theta energy: -154.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1847.550570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.550570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.550570 (E_RNA) where: Base-Base interactions energy: -1170.697 where: short stacking energy: -548.085 Base-Backbone interact. energy: -1.347 local terms energy: -675.506662 where: bonds (distance) C4'-P energy: -155.095 bonds (distance) P-C4' energy: -162.108 flat angles C4'-P-C4' energy: -154.873 flat angles P-C4'-P energy: -91.900 tors. eta vs tors. theta energy: -111.530 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: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1534.103311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.103311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.103311 (E_RNA) where: Base-Base interactions energy: -888.200 where: short stacking energy: -445.376 Base-Backbone interact. energy: 3.111 local terms energy: -649.013931 where: bonds (distance) C4'-P energy: -148.824 bonds (distance) P-C4' energy: -175.871 flat angles C4'-P-C4' energy: -162.465 flat angles P-C4'-P energy: -84.420 tors. eta vs tors. theta energy: -77.433 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: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1008.133784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.133784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.133784 (E_RNA) where: Base-Base interactions energy: -492.021 where: short stacking energy: -296.596 Base-Backbone interact. energy: 1.311 local terms energy: -517.423790 where: bonds (distance) C4'-P energy: -124.623 bonds (distance) P-C4' energy: -167.571 flat angles C4'-P-C4' energy: -138.710 flat angles P-C4'-P energy: -59.008 tors. eta vs tors. theta energy: -27.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -823.391372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.391372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.391372 (E_RNA) where: Base-Base interactions energy: -350.254 where: short stacking energy: -227.192 Base-Backbone interact. energy: 1.560 local terms energy: -474.697739 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -153.987 flat angles C4'-P-C4' energy: -120.093 flat angles P-C4'-P energy: -84.752 tors. eta vs tors. theta energy: 16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3086.626613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.626613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.626613 (E_RNA) where: Base-Base interactions energy: -2078.549 where: short stacking energy: -931.260 Base-Backbone interact. energy: -5.383 local terms energy: -1002.694326 where: bonds (distance) C4'-P energy: -173.925 bonds (distance) P-C4' energy: -195.087 flat angles C4'-P-C4' energy: -212.519 flat angles P-C4'-P energy: -139.445 tors. eta vs tors. theta energy: -281.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2900.632203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.632203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.632203 (E_RNA) where: Base-Base interactions energy: -1945.485 where: short stacking energy: -880.661 Base-Backbone interact. energy: -2.071 local terms energy: -953.075706 where: bonds (distance) C4'-P energy: -173.426 bonds (distance) P-C4' energy: -178.425 flat angles C4'-P-C4' energy: -206.885 flat angles P-C4'-P energy: -133.782 tors. eta vs tors. theta energy: -260.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2738.012954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.012954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.012954 (E_RNA) where: Base-Base interactions energy: -1835.261 where: short stacking energy: -818.871 Base-Backbone interact. energy: -2.614 local terms energy: -900.138099 where: bonds (distance) C4'-P energy: -166.059 bonds (distance) P-C4' energy: -175.390 flat angles C4'-P-C4' energy: -194.894 flat angles P-C4'-P energy: -138.472 tors. eta vs tors. theta energy: -225.323 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: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2642.638589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.638589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.638589 (E_RNA) where: Base-Base interactions energy: -1786.787 where: short stacking energy: -802.632 Base-Backbone interact. energy: -5.862 local terms energy: -849.990185 where: bonds (distance) C4'-P energy: -157.515 bonds (distance) P-C4' energy: -153.235 flat angles C4'-P-C4' energy: -205.246 flat angles P-C4'-P energy: -127.608 tors. eta vs tors. theta energy: -206.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2467.803617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.803617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.803617 (E_RNA) where: Base-Base interactions energy: -1651.030 where: short stacking energy: -719.444 Base-Backbone interact. energy: 1.131 local terms energy: -817.904084 where: bonds (distance) C4'-P energy: -152.724 bonds (distance) P-C4' energy: -176.555 flat angles C4'-P-C4' energy: -179.608 flat angles P-C4'-P energy: -113.197 tors. eta vs tors. theta energy: -195.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2229.808823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.808823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.808823 (E_RNA) where: Base-Base interactions energy: -1479.020 where: short stacking energy: -693.833 Base-Backbone interact. energy: 2.214 local terms energy: -753.001881 where: bonds (distance) C4'-P energy: -174.698 bonds (distance) P-C4' energy: -158.386 flat angles C4'-P-C4' energy: -154.567 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -183.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1847.597846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.597846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.597846 (E_RNA) where: Base-Base interactions energy: -1175.588 where: short stacking energy: -566.259 Base-Backbone interact. energy: -0.877 local terms energy: -671.133187 where: bonds (distance) C4'-P energy: -154.912 bonds (distance) P-C4' energy: -158.920 flat angles C4'-P-C4' energy: -145.861 flat angles P-C4'-P energy: -103.854 tors. eta vs tors. theta energy: -107.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1473.624565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.624565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.624565 (E_RNA) where: Base-Base interactions energy: -871.875 where: short stacking energy: -449.337 Base-Backbone interact. energy: 3.452 local terms energy: -605.201365 where: bonds (distance) C4'-P energy: -144.461 bonds (distance) P-C4' energy: -150.495 flat angles C4'-P-C4' energy: -152.438 flat angles P-C4'-P energy: -77.671 tors. eta vs tors. theta energy: -80.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1040.128802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.128802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.128802 (E_RNA) where: Base-Base interactions energy: -479.097 where: short stacking energy: -274.066 Base-Backbone interact. energy: -2.009 local terms energy: -559.022087 where: bonds (distance) C4'-P energy: -160.103 bonds (distance) P-C4' energy: -161.403 flat angles C4'-P-C4' energy: -156.777 flat angles P-C4'-P energy: -91.738 tors. eta vs tors. theta energy: 10.999 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: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -840.258907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.258907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.258907 (E_RNA) where: Base-Base interactions energy: -365.653 where: short stacking energy: -223.938 Base-Backbone interact. energy: 1.071 local terms energy: -475.676886 where: bonds (distance) C4'-P energy: -149.439 bonds (distance) P-C4' energy: -155.209 flat angles C4'-P-C4' energy: -136.593 flat angles P-C4'-P energy: -59.396 tors. eta vs tors. theta energy: 24.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3082.668855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.668855 (E_RNA) where: Base-Base interactions energy: -2087.338 where: short stacking energy: -962.830 Base-Backbone interact. energy: -2.861 local terms energy: -992.469467 where: bonds (distance) C4'-P energy: -185.199 bonds (distance) P-C4' energy: -189.925 flat angles C4'-P-C4' energy: -198.632 flat angles P-C4'-P energy: -144.513 tors. eta vs tors. theta energy: -274.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2963.712348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.712348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.712348 (E_RNA) where: Base-Base interactions energy: -1967.157 where: short stacking energy: -925.097 Base-Backbone interact. energy: -1.818 local terms energy: -994.736947 where: bonds (distance) C4'-P energy: -185.287 bonds (distance) P-C4' energy: -177.695 flat angles C4'-P-C4' energy: -228.461 flat angles P-C4'-P energy: -130.664 tors. eta vs tors. theta energy: -272.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2717.207707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.207707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.207707 (E_RNA) where: Base-Base interactions energy: -1792.105 where: short stacking energy: -860.290 Base-Backbone interact. energy: 1.162 local terms energy: -926.264287 where: bonds (distance) C4'-P energy: -162.512 bonds (distance) P-C4' energy: -186.273 flat angles C4'-P-C4' energy: -200.606 flat angles P-C4'-P energy: -120.357 tors. eta vs tors. theta energy: -256.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2644.596634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.596634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.596634 (E_RNA) where: Base-Base interactions energy: -1804.801 where: short stacking energy: -785.307 Base-Backbone interact. energy: -3.794 local terms energy: -836.002237 where: bonds (distance) C4'-P energy: -180.053 bonds (distance) P-C4' energy: -157.007 flat angles C4'-P-C4' energy: -187.735 flat angles P-C4'-P energy: -110.061 tors. eta vs tors. theta energy: -201.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2550.377573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.377573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.377573 (E_RNA) where: Base-Base interactions energy: -1726.337 where: short stacking energy: -765.967 Base-Backbone interact. energy: -3.399 local terms energy: -820.641643 where: bonds (distance) C4'-P energy: -157.781 bonds (distance) P-C4' energy: -173.822 flat angles C4'-P-C4' energy: -167.373 flat angles P-C4'-P energy: -114.065 tors. eta vs tors. theta energy: -207.601 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: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2286.091191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.091191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.091191 (E_RNA) where: Base-Base interactions energy: -1469.411 where: short stacking energy: -679.837 Base-Backbone interact. energy: 0.350 local terms energy: -817.030210 where: bonds (distance) C4'-P energy: -169.435 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -180.037 flat angles P-C4'-P energy: -116.754 tors. eta vs tors. theta energy: -198.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1763.223783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.223783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.223783 (E_RNA) where: Base-Base interactions energy: -1067.662 where: short stacking energy: -509.419 Base-Backbone interact. energy: -1.393 local terms energy: -694.168274 where: bonds (distance) C4'-P energy: -156.881 bonds (distance) P-C4' energy: -165.262 flat angles C4'-P-C4' energy: -154.677 flat angles P-C4'-P energy: -113.635 tors. eta vs tors. theta energy: -103.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1509.309014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.309014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.309014 (E_RNA) where: Base-Base interactions energy: -901.065 where: short stacking energy: -432.799 Base-Backbone interact. energy: -4.401 local terms energy: -603.843355 where: bonds (distance) C4'-P energy: -148.627 bonds (distance) P-C4' energy: -148.806 flat angles C4'-P-C4' energy: -155.351 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -66.543 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: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1030.870429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.870429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.870429 (E_RNA) where: Base-Base interactions energy: -534.570 where: short stacking energy: -310.206 Base-Backbone interact. energy: -5.901 local terms energy: -490.399444 where: bonds (distance) C4'-P energy: -152.858 bonds (distance) P-C4' energy: -146.244 flat angles C4'-P-C4' energy: -126.016 flat angles P-C4'-P energy: -61.631 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -768.755138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.755138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.755138 (E_RNA) where: Base-Base interactions energy: -349.650 where: short stacking energy: -222.141 Base-Backbone interact. energy: 2.515 local terms energy: -421.620392 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -160.091 flat angles C4'-P-C4' energy: -93.681 flat angles P-C4'-P energy: -67.639 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: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3075.550452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.550452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.550452 (E_RNA) where: Base-Base interactions energy: -2053.238 where: short stacking energy: -895.623 Base-Backbone interact. energy: -1.061 local terms energy: -1021.251171 where: bonds (distance) C4'-P energy: -194.810 bonds (distance) P-C4' energy: -195.624 flat angles C4'-P-C4' energy: -207.782 flat angles P-C4'-P energy: -150.943 tors. eta vs tors. theta energy: -272.092 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: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2951.369311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.369311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.369311 (E_RNA) where: Base-Base interactions energy: -2021.066 where: short stacking energy: -918.327 Base-Backbone interact. energy: -2.049 local terms energy: -928.254406 where: bonds (distance) C4'-P energy: -164.619 bonds (distance) P-C4' energy: -169.223 flat angles C4'-P-C4' energy: -206.102 flat angles P-C4'-P energy: -122.043 tors. eta vs tors. theta energy: -266.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2717.884221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.884221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.884221 (E_RNA) where: Base-Base interactions energy: -1777.149 where: short stacking energy: -834.642 Base-Backbone interact. energy: -0.228 local terms energy: -940.507231 where: bonds (distance) C4'-P energy: -168.685 bonds (distance) P-C4' energy: -191.095 flat angles C4'-P-C4' energy: -197.944 flat angles P-C4'-P energy: -129.592 tors. eta vs tors. theta energy: -253.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2644.803047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.803047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.803047 (E_RNA) where: Base-Base interactions energy: -1769.437 where: short stacking energy: -797.480 Base-Backbone interact. energy: -2.975 local terms energy: -872.391325 where: bonds (distance) C4'-P energy: -157.969 bonds (distance) P-C4' energy: -175.403 flat angles C4'-P-C4' energy: -197.649 flat angles P-C4'-P energy: -127.648 tors. eta vs tors. theta energy: -213.723 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: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2528.271721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.271721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.271721 (E_RNA) where: Base-Base interactions energy: -1697.564 where: short stacking energy: -763.892 Base-Backbone interact. energy: 5.049 local terms energy: -835.756826 where: bonds (distance) C4'-P energy: -165.674 bonds (distance) P-C4' energy: -159.053 flat angles C4'-P-C4' energy: -187.713 flat angles P-C4'-P energy: -112.538 tors. eta vs tors. theta energy: -210.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2290.417980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.417980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.417980 (E_RNA) where: Base-Base interactions energy: -1483.348 where: short stacking energy: -718.148 Base-Backbone interact. energy: -1.369 local terms energy: -805.701500 where: bonds (distance) C4'-P energy: -150.641 bonds (distance) P-C4' energy: -163.874 flat angles C4'-P-C4' energy: -180.025 flat angles P-C4'-P energy: -113.350 tors. eta vs tors. theta energy: -197.811 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: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1728.414845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.414845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.414845 (E_RNA) where: Base-Base interactions energy: -1087.831 where: short stacking energy: -525.661 Base-Backbone interact. energy: -1.849 local terms energy: -638.734999 where: bonds (distance) C4'-P energy: -133.275 bonds (distance) P-C4' energy: -161.519 flat angles C4'-P-C4' energy: -173.379 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -87.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1520.884981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.884981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.884981 (E_RNA) where: Base-Base interactions energy: -921.778 where: short stacking energy: -479.560 Base-Backbone interact. energy: -3.226 local terms energy: -595.880736 where: bonds (distance) C4'-P energy: -133.404 bonds (distance) P-C4' energy: -166.169 flat angles C4'-P-C4' energy: -141.668 flat angles P-C4'-P energy: -88.035 tors. eta vs tors. theta energy: -66.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1071.103550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.103550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.103550 (E_RNA) where: Base-Base interactions energy: -546.799 where: short stacking energy: -301.405 Base-Backbone interact. energy: -0.095 local terms energy: -524.209459 where: bonds (distance) C4'-P energy: -161.211 bonds (distance) P-C4' energy: -124.036 flat angles C4'-P-C4' energy: -142.743 flat angles P-C4'-P energy: -81.710 tors. eta vs tors. theta energy: -14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -799.683060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.683060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.683060 (E_RNA) where: Base-Base interactions energy: -335.857 where: short stacking energy: -226.985 Base-Backbone interact. energy: 3.700 local terms energy: -467.525633 where: bonds (distance) C4'-P energy: -147.300 bonds (distance) P-C4' energy: -144.639 flat angles C4'-P-C4' energy: -124.997 flat angles P-C4'-P energy: -66.841 tors. eta vs tors. theta energy: 16.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3076.826863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.826863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.826863 (E_RNA) where: Base-Base interactions energy: -2080.852 where: short stacking energy: -948.633 Base-Backbone interact. energy: -1.242 local terms energy: -994.733474 where: bonds (distance) C4'-P energy: -184.791 bonds (distance) P-C4' energy: -182.711 flat angles C4'-P-C4' energy: -209.684 flat angles P-C4'-P energy: -146.807 tors. eta vs tors. theta energy: -270.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2940.678160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.678160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.678160 (E_RNA) where: Base-Base interactions energy: -1968.963 where: short stacking energy: -918.597 Base-Backbone interact. energy: -5.383 local terms energy: -966.332184 where: bonds (distance) C4'-P energy: -185.307 bonds (distance) P-C4' energy: -165.865 flat angles C4'-P-C4' energy: -214.190 flat angles P-C4'-P energy: -128.175 tors. eta vs tors. theta energy: -272.795 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: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2712.741793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.741793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.741793 (E_RNA) where: Base-Base interactions energy: -1780.177 where: short stacking energy: -818.125 Base-Backbone interact. energy: -1.752 local terms energy: -930.812704 where: bonds (distance) C4'-P energy: -183.058 bonds (distance) P-C4' energy: -170.626 flat angles C4'-P-C4' energy: -204.035 flat angles P-C4'-P energy: -134.724 tors. eta vs tors. theta energy: -238.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2685.282428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.282428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.282428 (E_RNA) where: Base-Base interactions energy: -1853.373 where: short stacking energy: -808.183 Base-Backbone interact. energy: -2.916 local terms energy: -828.993178 where: bonds (distance) C4'-P energy: -161.618 bonds (distance) P-C4' energy: -158.367 flat angles C4'-P-C4' energy: -178.976 flat angles P-C4'-P energy: -117.703 tors. eta vs tors. theta energy: -212.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2454.371529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.371529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.371529 (E_RNA) where: Base-Base interactions energy: -1622.659 where: short stacking energy: -746.296 Base-Backbone interact. energy: 0.510 local terms energy: -832.222925 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -166.917 flat angles C4'-P-C4' energy: -199.958 flat angles P-C4'-P energy: -121.830 tors. eta vs tors. theta energy: -195.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2210.684940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.684940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.684940 (E_RNA) where: Base-Base interactions energy: -1456.803 where: short stacking energy: -663.540 Base-Backbone interact. energy: 0.746 local terms energy: -754.627762 where: bonds (distance) C4'-P energy: -164.737 bonds (distance) P-C4' energy: -150.800 flat angles C4'-P-C4' energy: -175.354 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -168.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1759.887709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.887709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.887709 (E_RNA) where: Base-Base interactions energy: -1102.597 where: short stacking energy: -536.979 Base-Backbone interact. energy: -0.728 local terms energy: -656.562876 where: bonds (distance) C4'-P energy: -137.727 bonds (distance) P-C4' energy: -159.285 flat angles C4'-P-C4' energy: -146.378 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -106.814 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: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1506.110581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.110581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.110581 (E_RNA) where: Base-Base interactions energy: -909.956 where: short stacking energy: -461.680 Base-Backbone interact. energy: 2.810 local terms energy: -598.965267 where: bonds (distance) C4'-P energy: -142.203 bonds (distance) P-C4' energy: -146.823 flat angles C4'-P-C4' energy: -156.766 flat angles P-C4'-P energy: -82.832 tors. eta vs tors. theta energy: -70.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1085.164496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.164496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.164496 (E_RNA) where: Base-Base interactions energy: -561.725 where: short stacking energy: -313.972 Base-Backbone interact. energy: 2.226 local terms energy: -525.665559 where: bonds (distance) C4'-P energy: -136.797 bonds (distance) P-C4' energy: -156.914 flat angles C4'-P-C4' energy: -121.450 flat angles P-C4'-P energy: -85.182 tors. eta vs tors. theta energy: -25.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -824.464042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.464042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.464042 (E_RNA) where: Base-Base interactions energy: -353.535 where: short stacking energy: -234.403 Base-Backbone interact. energy: -0.057 local terms energy: -470.872587 where: bonds (distance) C4'-P energy: -134.624 bonds (distance) P-C4' energy: -145.590 flat angles C4'-P-C4' energy: -121.086 flat angles P-C4'-P energy: -79.781 tors. eta vs tors. theta energy: 10.209 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: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3118.484597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.484597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.484597 (E_RNA) where: Base-Base interactions energy: -2132.836 where: short stacking energy: -985.505 Base-Backbone interact. energy: -3.187 local terms energy: -982.461419 where: bonds (distance) C4'-P energy: -177.890 bonds (distance) P-C4' energy: -182.497 flat angles C4'-P-C4' energy: -212.118 flat angles P-C4'-P energy: -128.542 tors. eta vs tors. theta energy: -281.414 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2920.098806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.098806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.098806 (E_RNA) where: Base-Base interactions energy: -1944.111 where: short stacking energy: -944.941 Base-Backbone interact. energy: -1.860 local terms energy: -974.127150 where: bonds (distance) C4'-P energy: -191.154 bonds (distance) P-C4' energy: -171.219 flat angles C4'-P-C4' energy: -209.260 flat angles P-C4'-P energy: -137.810 tors. eta vs tors. theta energy: -264.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2731.917501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.917501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.917501 (E_RNA) where: Base-Base interactions energy: -1786.619 where: short stacking energy: -830.620 Base-Backbone interact. energy: 7.019 local terms energy: -952.317423 where: bonds (distance) C4'-P energy: -176.611 bonds (distance) P-C4' energy: -189.659 flat angles C4'-P-C4' energy: -196.695 flat angles P-C4'-P energy: -142.374 tors. eta vs tors. theta energy: -246.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2665.922396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.922396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.922396 (E_RNA) where: Base-Base interactions energy: -1795.295 where: short stacking energy: -814.655 Base-Backbone interact. energy: 0.992 local terms energy: -871.619135 where: bonds (distance) C4'-P energy: -188.552 bonds (distance) P-C4' energy: -167.235 flat angles C4'-P-C4' energy: -194.033 flat angles P-C4'-P energy: -106.825 tors. eta vs tors. theta energy: -214.975 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: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2498.826918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.826918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.826918 (E_RNA) where: Base-Base interactions energy: -1653.799 where: short stacking energy: -757.918 Base-Backbone interact. energy: -4.269 local terms energy: -840.759035 where: bonds (distance) C4'-P energy: -170.924 bonds (distance) P-C4' energy: -169.000 flat angles C4'-P-C4' energy: -176.189 flat angles P-C4'-P energy: -109.341 tors. eta vs tors. theta energy: -215.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2265.336523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.336523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.336523 (E_RNA) where: Base-Base interactions energy: -1456.818 where: short stacking energy: -682.049 Base-Backbone interact. energy: 0.038 local terms energy: -808.557144 where: bonds (distance) C4'-P energy: -154.822 bonds (distance) P-C4' energy: -160.927 flat angles C4'-P-C4' energy: -177.856 flat angles P-C4'-P energy: -129.572 tors. eta vs tors. theta energy: -185.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1739.393303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.393303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.393303 (E_RNA) where: Base-Base interactions energy: -1115.656 where: short stacking energy: -524.702 Base-Backbone interact. energy: 0.542 local terms energy: -624.278338 where: bonds (distance) C4'-P energy: -134.912 bonds (distance) P-C4' energy: -146.241 flat angles C4'-P-C4' energy: -149.609 flat angles P-C4'-P energy: -97.172 tors. eta vs tors. theta energy: -96.344 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: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1450.705584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.705584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.705584 (E_RNA) where: Base-Base interactions energy: -848.352 where: short stacking energy: -411.855 Base-Backbone interact. energy: 3.386 local terms energy: -605.739589 where: bonds (distance) C4'-P energy: -138.155 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -144.140 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -56.023 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: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1075.086906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.086906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.086906 (E_RNA) where: Base-Base interactions energy: -554.948 where: short stacking energy: -302.731 Base-Backbone interact. energy: -3.221 local terms energy: -516.917124 where: bonds (distance) C4'-P energy: -120.154 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -130.846 flat angles P-C4'-P energy: -109.544 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -788.779212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.779212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.779212 (E_RNA) where: Base-Base interactions energy: -296.520 where: short stacking energy: -241.109 Base-Backbone interact. energy: -3.315 local terms energy: -488.944237 where: bonds (distance) C4'-P energy: -161.007 bonds (distance) P-C4' energy: -158.068 flat angles C4'-P-C4' energy: -127.996 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: -1.273 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: 1, replica: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3086.297179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.297179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.297179 (E_RNA) where: Base-Base interactions energy: -2103.532 where: short stacking energy: -968.566 Base-Backbone interact. energy: -2.190 local terms energy: -980.575220 where: bonds (distance) C4'-P energy: -171.307 bonds (distance) P-C4' energy: -180.003 flat angles C4'-P-C4' energy: -207.273 flat angles P-C4'-P energy: -135.717 tors. eta vs tors. theta energy: -286.275 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: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2885.391929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.391929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.391929 (E_RNA) where: Base-Base interactions energy: -1938.080 where: short stacking energy: -863.768 Base-Backbone interact. energy: -5.126 local terms energy: -942.185745 where: bonds (distance) C4'-P energy: -182.118 bonds (distance) P-C4' energy: -186.296 flat angles C4'-P-C4' energy: -193.958 flat angles P-C4'-P energy: -130.166 tors. eta vs tors. theta energy: -249.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2742.199992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.199992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.199992 (E_RNA) where: Base-Base interactions energy: -1827.881 where: short stacking energy: -839.623 Base-Backbone interact. energy: -3.034 local terms energy: -911.285422 where: bonds (distance) C4'-P energy: -171.957 bonds (distance) P-C4' energy: -179.205 flat angles C4'-P-C4' energy: -183.522 flat angles P-C4'-P energy: -121.084 tors. eta vs tors. theta energy: -255.518 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: 9 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2690.203636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.203636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.203636 (E_RNA) where: Base-Base interactions energy: -1825.674 where: short stacking energy: -812.423 Base-Backbone interact. energy: 0.386 local terms energy: -864.915064 where: bonds (distance) C4'-P energy: -164.165 bonds (distance) P-C4' energy: -183.005 flat angles C4'-P-C4' energy: -188.759 flat angles P-C4'-P energy: -109.753 tors. eta vs tors. theta energy: -219.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2436.706400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.706400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.706400 (E_RNA) where: Base-Base interactions energy: -1630.989 where: short stacking energy: -734.341 Base-Backbone interact. energy: -0.377 local terms energy: -805.340238 where: bonds (distance) C4'-P energy: -158.527 bonds (distance) P-C4' energy: -174.266 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -213.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2289.170627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.170627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.170627 (E_RNA) where: Base-Base interactions energy: -1462.115 where: short stacking energy: -711.737 Base-Backbone interact. energy: -4.708 local terms energy: -822.347710 where: bonds (distance) C4'-P energy: -173.086 bonds (distance) P-C4' energy: -152.230 flat angles C4'-P-C4' energy: -189.467 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -196.710 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: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1678.001506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.001506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.001506 (E_RNA) where: Base-Base interactions energy: -1026.289 where: short stacking energy: -520.862 Base-Backbone interact. energy: 3.587 local terms energy: -655.299485 where: bonds (distance) C4'-P energy: -146.338 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -79.808 tors. eta vs tors. theta energy: -123.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1392.053701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.053701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.053701 (E_RNA) where: Base-Base interactions energy: -819.982 where: short stacking energy: -432.025 Base-Backbone interact. energy: 3.600 local terms energy: -575.671753 where: bonds (distance) C4'-P energy: -144.472 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -137.972 flat angles P-C4'-P energy: -71.195 tors. eta vs tors. theta energy: -63.243 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: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1081.922036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.922036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.922036 (E_RNA) where: Base-Base interactions energy: -593.194 where: short stacking energy: -332.164 Base-Backbone interact. energy: -2.515 local terms energy: -486.213204 where: bonds (distance) C4'-P energy: -131.417 bonds (distance) P-C4' energy: -155.194 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -58.306 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: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -823.948623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.948623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.948623 (E_RNA) where: Base-Base interactions energy: -337.567 where: short stacking energy: -224.829 Base-Backbone interact. energy: 6.669 local terms energy: -493.050337 where: bonds (distance) C4'-P energy: -138.442 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -117.321 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: 4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3087.357834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.357834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.357834 (E_RNA) where: Base-Base interactions energy: -2069.466 where: short stacking energy: -948.470 Base-Backbone interact. energy: -3.041 local terms energy: -1014.850380 where: bonds (distance) C4'-P energy: -169.280 bonds (distance) P-C4' energy: -186.970 flat angles C4'-P-C4' energy: -220.789 flat angles P-C4'-P energy: -151.940 tors. eta vs tors. theta energy: -285.871 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: 232 Temperature: 0.950000 Total energy: -2913.622547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.622547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.622547 (E_RNA) where: Base-Base interactions energy: -1968.012 where: short stacking energy: -875.072 Base-Backbone interact. energy: -2.512 local terms energy: -943.098024 where: bonds (distance) C4'-P energy: -186.425 bonds (distance) P-C4' energy: -175.184 flat angles C4'-P-C4' energy: -206.616 flat angles P-C4'-P energy: -129.490 tors. eta vs tors. theta energy: -245.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2752.429881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.429881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.429881 (E_RNA) where: Base-Base interactions energy: -1815.784 where: short stacking energy: -872.656 Base-Backbone interact. energy: -2.123 local terms energy: -934.522499 where: bonds (distance) C4'-P energy: -170.996 bonds (distance) P-C4' energy: -174.358 flat angles C4'-P-C4' energy: -203.521 flat angles P-C4'-P energy: -144.579 tors. eta vs tors. theta energy: -241.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2676.444722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.444722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.444722 (E_RNA) where: Base-Base interactions energy: -1828.815 where: short stacking energy: -805.455 Base-Backbone interact. energy: 2.650 local terms energy: -850.279244 where: bonds (distance) C4'-P energy: -175.959 bonds (distance) P-C4' energy: -177.133 flat angles C4'-P-C4' energy: -170.434 flat angles P-C4'-P energy: -114.100 tors. eta vs tors. theta energy: -212.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2462.039681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.039681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.039681 (E_RNA) where: Base-Base interactions energy: -1631.719 where: short stacking energy: -748.760 Base-Backbone interact. energy: -1.278 local terms energy: -829.043076 where: bonds (distance) C4'-P energy: -153.324 bonds (distance) P-C4' energy: -159.426 flat angles C4'-P-C4' energy: -188.808 flat angles P-C4'-P energy: -118.625 tors. eta vs tors. theta energy: -208.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2361.453253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.453253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.453253 (E_RNA) where: Base-Base interactions energy: -1561.756 where: short stacking energy: -753.414 Base-Backbone interact. energy: 2.392 local terms energy: -802.089238 where: bonds (distance) C4'-P energy: -160.580 bonds (distance) P-C4' energy: -145.857 flat angles C4'-P-C4' energy: -190.134 flat angles P-C4'-P energy: -105.971 tors. eta vs tors. theta energy: -199.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1733.629946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.629946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.629946 (E_RNA) where: Base-Base interactions energy: -1046.123 where: short stacking energy: -522.222 Base-Backbone interact. energy: -0.712 local terms energy: -686.794873 where: bonds (distance) C4'-P energy: -153.709 bonds (distance) P-C4' energy: -164.601 flat angles C4'-P-C4' energy: -163.411 flat angles P-C4'-P energy: -92.859 tors. eta vs tors. theta energy: -112.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1408.783504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.783504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.783504 (E_RNA) where: Base-Base interactions energy: -815.514 where: short stacking energy: -400.683 Base-Backbone interact. energy: 4.037 local terms energy: -597.306582 where: bonds (distance) C4'-P energy: -136.397 bonds (distance) P-C4' energy: -151.196 flat angles C4'-P-C4' energy: -143.603 flat angles P-C4'-P energy: -96.216 tors. eta vs tors. theta energy: -69.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1032.880523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.880523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.880523 (E_RNA) where: Base-Base interactions energy: -540.991 where: short stacking energy: -290.183 Base-Backbone interact. energy: 8.792 local terms energy: -500.681502 where: bonds (distance) C4'-P energy: -136.967 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -139.517 flat angles P-C4'-P energy: -91.452 tors. eta vs tors. theta energy: 13.694 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: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -791.985489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.985489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.985489 (E_RNA) where: Base-Base interactions energy: -366.492 where: short stacking energy: -244.143 Base-Backbone interact. energy: 9.171 local terms energy: -434.664535 where: bonds (distance) C4'-P energy: -138.005 bonds (distance) P-C4' energy: -113.026 flat angles C4'-P-C4' energy: -118.939 flat angles P-C4'-P energy: -78.531 tors. eta vs tors. theta energy: 13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3121.575885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.575885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.575885 (E_RNA) where: Base-Base interactions energy: -2081.400 where: short stacking energy: -960.909 Base-Backbone interact. energy: -3.129 local terms energy: -1037.047701 where: bonds (distance) C4'-P energy: -189.258 bonds (distance) P-C4' energy: -191.045 flat angles C4'-P-C4' energy: -218.130 flat angles P-C4'-P energy: -152.267 tors. eta vs tors. theta energy: -286.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2911.304735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.304735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.304735 (E_RNA) where: Base-Base interactions energy: -1970.980 where: short stacking energy: -923.833 Base-Backbone interact. energy: -4.841 local terms energy: -935.483523 where: bonds (distance) C4'-P energy: -169.111 bonds (distance) P-C4' energy: -177.373 flat angles C4'-P-C4' energy: -210.116 flat angles P-C4'-P energy: -126.986 tors. eta vs tors. theta energy: -251.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2729.682836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.682836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.682836 (E_RNA) where: Base-Base interactions energy: -1794.383 where: short stacking energy: -879.460 Base-Backbone interact. energy: -2.087 local terms energy: -933.212170 where: bonds (distance) C4'-P energy: -183.497 bonds (distance) P-C4' energy: -154.878 flat angles C4'-P-C4' energy: -207.317 flat angles P-C4'-P energy: -138.328 tors. eta vs tors. theta energy: -249.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2695.567492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.567492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.567492 (E_RNA) where: Base-Base interactions energy: -1794.179 where: short stacking energy: -807.034 Base-Backbone interact. energy: -4.548 local terms energy: -896.840036 where: bonds (distance) C4'-P energy: -172.508 bonds (distance) P-C4' energy: -185.848 flat angles C4'-P-C4' energy: -192.795 flat angles P-C4'-P energy: -131.359 tors. eta vs tors. theta energy: -214.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2530.802112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.802112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.802112 (E_RNA) where: Base-Base interactions energy: -1749.216 where: short stacking energy: -773.277 Base-Backbone interact. energy: -1.628 local terms energy: -779.957900 where: bonds (distance) C4'-P energy: -126.960 bonds (distance) P-C4' energy: -157.005 flat angles C4'-P-C4' energy: -178.574 flat angles P-C4'-P energy: -107.410 tors. eta vs tors. theta energy: -210.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2342.451437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.451437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.451437 (E_RNA) where: Base-Base interactions energy: -1543.315 where: short stacking energy: -731.427 Base-Backbone interact. energy: 4.414 local terms energy: -803.549959 where: bonds (distance) C4'-P energy: -157.436 bonds (distance) P-C4' energy: -167.250 flat angles C4'-P-C4' energy: -168.425 flat angles P-C4'-P energy: -108.527 tors. eta vs tors. theta energy: -201.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1724.948228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.948228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.948228 (E_RNA) where: Base-Base interactions energy: -1067.529 where: short stacking energy: -558.631 Base-Backbone interact. energy: 0.982 local terms energy: -658.401293 where: bonds (distance) C4'-P energy: -141.324 bonds (distance) P-C4' energy: -156.462 flat angles C4'-P-C4' energy: -148.584 flat angles P-C4'-P energy: -108.454 tors. eta vs tors. theta energy: -103.578 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: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1533.321341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.321341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.321341 (E_RNA) where: Base-Base interactions energy: -903.664 where: short stacking energy: -457.168 Base-Backbone interact. energy: 0.317 local terms energy: -629.974431 where: bonds (distance) C4'-P energy: -139.538 bonds (distance) P-C4' energy: -152.412 flat angles C4'-P-C4' energy: -143.364 flat angles P-C4'-P energy: -94.976 tors. eta vs tors. theta energy: -99.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -985.761163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.761163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.761163 (E_RNA) where: Base-Base interactions energy: -471.396 where: short stacking energy: -251.181 Base-Backbone interact. energy: -1.809 local terms energy: -512.556407 where: bonds (distance) C4'-P energy: -146.234 bonds (distance) P-C4' energy: -161.854 flat angles C4'-P-C4' energy: -143.235 flat angles P-C4'-P energy: -71.106 tors. eta vs tors. theta energy: 9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -773.179135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.179135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.179135 (E_RNA) where: Base-Base interactions energy: -316.638 where: short stacking energy: -210.254 Base-Backbone interact. energy: 2.136 local terms energy: -458.677200 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -161.918 flat angles C4'-P-C4' energy: -129.997 flat angles P-C4'-P energy: -61.488 tors. eta vs tors. theta energy: 12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3121.631029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.631029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.631029 (E_RNA) where: Base-Base interactions energy: -2115.168 where: short stacking energy: -976.179 Base-Backbone interact. energy: -2.056 local terms energy: -1004.407113 where: bonds (distance) C4'-P energy: -183.457 bonds (distance) P-C4' energy: -186.455 flat angles C4'-P-C4' energy: -215.752 flat angles P-C4'-P energy: -131.691 tors. eta vs tors. theta energy: -287.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2869.912984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.912984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.912984 (E_RNA) where: Base-Base interactions energy: -1938.133 where: short stacking energy: -869.041 Base-Backbone interact. energy: -3.938 local terms energy: -927.841673 where: bonds (distance) C4'-P energy: -174.718 bonds (distance) P-C4' energy: -185.428 flat angles C4'-P-C4' energy: -207.870 flat angles P-C4'-P energy: -123.190 tors. eta vs tors. theta energy: -236.637 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: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2795.392638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.392638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.392638 (E_RNA) where: Base-Base interactions energy: -1901.745 where: short stacking energy: -848.971 Base-Backbone interact. energy: -2.690 local terms energy: -890.957516 where: bonds (distance) C4'-P energy: -167.149 bonds (distance) P-C4' energy: -155.713 flat angles C4'-P-C4' energy: -195.666 flat angles P-C4'-P energy: -133.819 tors. eta vs tors. theta energy: -238.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2644.816824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.816824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.816824 (E_RNA) where: Base-Base interactions energy: -1712.739 where: short stacking energy: -834.894 Base-Backbone interact. energy: -2.749 local terms energy: -929.329528 where: bonds (distance) C4'-P energy: -181.477 bonds (distance) P-C4' energy: -185.262 flat angles C4'-P-C4' energy: -190.903 flat angles P-C4'-P energy: -124.272 tors. eta vs tors. theta energy: -247.416 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: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2476.640541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.640541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.640541 (E_RNA) where: Base-Base interactions energy: -1658.893 where: short stacking energy: -757.273 Base-Backbone interact. energy: 3.651 local terms energy: -821.398717 where: bonds (distance) C4'-P energy: -154.928 bonds (distance) P-C4' energy: -156.975 flat angles C4'-P-C4' energy: -200.623 flat angles P-C4'-P energy: -125.020 tors. eta vs tors. theta energy: -183.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2285.697810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.697810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.697810 (E_RNA) where: Base-Base interactions energy: -1497.945 where: short stacking energy: -667.763 Base-Backbone interact. energy: 1.678 local terms energy: -789.430060 where: bonds (distance) C4'-P energy: -176.666 bonds (distance) P-C4' energy: -160.866 flat angles C4'-P-C4' energy: -180.139 flat angles P-C4'-P energy: -87.480 tors. eta vs tors. theta energy: -184.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1697.153275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.153275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.153275 (E_RNA) where: Base-Base interactions energy: -1024.186 where: short stacking energy: -516.790 Base-Backbone interact. energy: -0.359 local terms energy: -672.608426 where: bonds (distance) C4'-P energy: -154.837 bonds (distance) P-C4' energy: -163.528 flat angles C4'-P-C4' energy: -151.105 flat angles P-C4'-P energy: -92.767 tors. eta vs tors. theta energy: -110.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1489.883079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.883079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.883079 (E_RNA) where: Base-Base interactions energy: -890.556 where: short stacking energy: -451.579 Base-Backbone interact. energy: 1.519 local terms energy: -600.846379 where: bonds (distance) C4'-P energy: -144.076 bonds (distance) P-C4' energy: -165.135 flat angles C4'-P-C4' energy: -147.246 flat angles P-C4'-P energy: -70.151 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: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -958.713558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.713558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.713558 (E_RNA) where: Base-Base interactions energy: -456.021 where: short stacking energy: -295.584 Base-Backbone interact. energy: -4.727 local terms energy: -497.965581 where: bonds (distance) C4'-P energy: -147.293 bonds (distance) P-C4' energy: -154.444 flat angles C4'-P-C4' energy: -132.351 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: 8.540 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: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -744.920985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.920985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.920985 (E_RNA) where: Base-Base interactions energy: -295.605 where: short stacking energy: -161.028 Base-Backbone interact. energy: -6.544 local terms energy: -442.771964 where: bonds (distance) C4'-P energy: -150.081 bonds (distance) P-C4' energy: -160.742 flat angles C4'-P-C4' energy: -103.136 flat angles P-C4'-P energy: -80.082 tors. eta vs tors. theta energy: 51.270 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: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3126.274557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.274557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.274557 (E_RNA) where: Base-Base interactions energy: -2128.690 where: short stacking energy: -995.471 Base-Backbone interact. energy: -1.258 local terms energy: -996.327009 where: bonds (distance) C4'-P energy: -176.659 bonds (distance) P-C4' energy: -172.980 flat angles C4'-P-C4' energy: -207.603 flat angles P-C4'-P energy: -140.094 tors. eta vs tors. theta energy: -298.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2894.471664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.471664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.471664 (E_RNA) where: Base-Base interactions energy: -1935.491 where: short stacking energy: -881.219 Base-Backbone interact. energy: -1.668 local terms energy: -957.313507 where: bonds (distance) C4'-P energy: -186.741 bonds (distance) P-C4' energy: -180.154 flat angles C4'-P-C4' energy: -202.977 flat angles P-C4'-P energy: -137.050 tors. eta vs tors. theta energy: -250.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2817.512947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.512947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.512947 (E_RNA) where: Base-Base interactions energy: -1891.724 where: short stacking energy: -865.370 Base-Backbone interact. energy: -4.056 local terms energy: -921.732587 where: bonds (distance) C4'-P energy: -178.459 bonds (distance) P-C4' energy: -180.077 flat angles C4'-P-C4' energy: -183.016 flat angles P-C4'-P energy: -124.744 tors. eta vs tors. theta energy: -255.436 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2639.831765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.831765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.831765 (E_RNA) where: Base-Base interactions energy: -1746.965 where: short stacking energy: -812.127 Base-Backbone interact. energy: -1.184 local terms energy: -891.682591 where: bonds (distance) C4'-P energy: -151.294 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -205.335 flat angles P-C4'-P energy: -140.771 tors. eta vs tors. theta energy: -229.310 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: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2453.889941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.889941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.889941 (E_RNA) where: Base-Base interactions energy: -1635.089 where: short stacking energy: -750.161 Base-Backbone interact. energy: -4.449 local terms energy: -814.351789 where: bonds (distance) C4'-P energy: -146.385 bonds (distance) P-C4' energy: -170.868 flat angles C4'-P-C4' energy: -189.108 flat angles P-C4'-P energy: -112.394 tors. eta vs tors. theta energy: -195.596 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: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2247.035995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.035995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.035995 (E_RNA) where: Base-Base interactions energy: -1470.735 where: short stacking energy: -668.527 Base-Backbone interact. energy: 1.548 local terms energy: -777.848192 where: bonds (distance) C4'-P energy: -156.000 bonds (distance) P-C4' energy: -149.886 flat angles C4'-P-C4' energy: -176.755 flat angles P-C4'-P energy: -116.097 tors. eta vs tors. theta energy: -179.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1802.421647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.421647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.421647 (E_RNA) where: Base-Base interactions energy: -1113.187 where: short stacking energy: -569.756 Base-Backbone interact. energy: -2.098 local terms energy: -687.136894 where: bonds (distance) C4'-P energy: -151.881 bonds (distance) P-C4' energy: -148.258 flat angles C4'-P-C4' energy: -147.814 flat angles P-C4'-P energy: -101.828 tors. eta vs tors. theta energy: -137.357 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: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1401.906551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.906551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.906551 (E_RNA) where: Base-Base interactions energy: -797.665 where: short stacking energy: -385.285 Base-Backbone interact. energy: 1.681 local terms energy: -605.922748 where: bonds (distance) C4'-P energy: -161.953 bonds (distance) P-C4' energy: -170.814 flat angles C4'-P-C4' energy: -135.218 flat angles P-C4'-P energy: -85.051 tors. eta vs tors. theta energy: -52.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1067.299544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.299544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.299544 (E_RNA) where: Base-Base interactions energy: -557.415 where: short stacking energy: -314.944 Base-Backbone interact. energy: -2.236 local terms energy: -507.648987 where: bonds (distance) C4'-P energy: -133.104 bonds (distance) P-C4' energy: -168.538 flat angles C4'-P-C4' energy: -134.429 flat angles P-C4'-P energy: -64.059 tors. eta vs tors. theta energy: -7.519 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: 235 Temperature: 1.350000 Total energy: -758.820734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.820734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.820734 (E_RNA) where: Base-Base interactions energy: -308.982 where: short stacking energy: -226.844 Base-Backbone interact. energy: 1.103 local terms energy: -450.941700 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -160.456 flat angles C4'-P-C4' energy: -115.407 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: 25.203 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: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3119.555578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.555578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.555578 (E_RNA) where: Base-Base interactions energy: -2088.972 where: short stacking energy: -961.937 Base-Backbone interact. energy: -0.697 local terms energy: -1029.886611 where: bonds (distance) C4'-P energy: -183.801 bonds (distance) P-C4' energy: -194.611 flat angles C4'-P-C4' energy: -216.384 flat angles P-C4'-P energy: -152.042 tors. eta vs tors. theta energy: -283.050 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: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2930.017994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.017994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.017994 (E_RNA) where: Base-Base interactions energy: -1972.795 where: short stacking energy: -892.408 Base-Backbone interact. energy: 3.445 local terms energy: -960.668571 where: bonds (distance) C4'-P energy: -182.886 bonds (distance) P-C4' energy: -186.271 flat angles C4'-P-C4' energy: -199.216 flat angles P-C4'-P energy: -126.859 tors. eta vs tors. theta energy: -265.436 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: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2826.606425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.606425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.606425 (E_RNA) where: Base-Base interactions energy: -1883.795 where: short stacking energy: -853.589 Base-Backbone interact. energy: -1.122 local terms energy: -941.690059 where: bonds (distance) C4'-P energy: -178.592 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -199.576 flat angles P-C4'-P energy: -133.090 tors. eta vs tors. theta energy: -257.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2657.750737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.750737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.750737 (E_RNA) where: Base-Base interactions energy: -1748.789 where: short stacking energy: -808.142 Base-Backbone interact. energy: 6.331 local terms energy: -915.292859 where: bonds (distance) C4'-P energy: -166.388 bonds (distance) P-C4' energy: -183.127 flat angles C4'-P-C4' energy: -190.540 flat angles P-C4'-P energy: -130.061 tors. eta vs tors. theta energy: -245.177 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: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2507.624374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.624374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.624374 (E_RNA) where: Base-Base interactions energy: -1678.822 where: short stacking energy: -779.784 Base-Backbone interact. energy: -0.697 local terms energy: -828.104943 where: bonds (distance) C4'-P energy: -170.901 bonds (distance) P-C4' energy: -167.274 flat angles C4'-P-C4' energy: -180.363 flat angles P-C4'-P energy: -113.292 tors. eta vs tors. theta energy: -196.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2271.896705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.896705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.896705 (E_RNA) where: Base-Base interactions energy: -1482.577 where: short stacking energy: -671.741 Base-Backbone interact. energy: -1.309 local terms energy: -788.010493 where: bonds (distance) C4'-P energy: -141.060 bonds (distance) P-C4' energy: -174.801 flat angles C4'-P-C4' energy: -193.687 flat angles P-C4'-P energy: -111.208 tors. eta vs tors. theta energy: -167.254 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: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1896.464826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.464826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.464826 (E_RNA) where: Base-Base interactions energy: -1176.892 where: short stacking energy: -571.410 Base-Backbone interact. energy: -4.597 local terms energy: -714.975738 where: bonds (distance) C4'-P energy: -171.732 bonds (distance) P-C4' energy: -163.356 flat angles C4'-P-C4' energy: -156.529 flat angles P-C4'-P energy: -78.305 tors. eta vs tors. theta energy: -145.055 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: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1437.030295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.030295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.030295 (E_RNA) where: Base-Base interactions energy: -840.097 where: short stacking energy: -423.873 Base-Backbone interact. energy: -1.514 local terms energy: -595.419323 where: bonds (distance) C4'-P energy: -137.166 bonds (distance) P-C4' energy: -139.997 flat angles C4'-P-C4' energy: -145.085 flat angles P-C4'-P energy: -97.791 tors. eta vs tors. theta energy: -75.380 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: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1091.421099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.421099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.421099 (E_RNA) where: Base-Base interactions energy: -570.059 where: short stacking energy: -283.110 Base-Backbone interact. energy: -1.336 local terms energy: -520.026375 where: bonds (distance) C4'-P energy: -142.315 bonds (distance) P-C4' energy: -154.603 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -76.256 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -768.191890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.191890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.191890 (E_RNA) where: Base-Base interactions energy: -318.674 where: short stacking energy: -220.213 Base-Backbone interact. energy: -1.103 local terms energy: -448.414261 where: bonds (distance) C4'-P energy: -130.699 bonds (distance) P-C4' energy: -147.581 flat angles C4'-P-C4' energy: -120.095 flat angles P-C4'-P energy: -73.636 tors. eta vs tors. theta energy: 23.597 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: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3102.832304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.832304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.832304 (E_RNA) where: Base-Base interactions energy: -2101.437 where: short stacking energy: -965.839 Base-Backbone interact. energy: 1.167 local terms energy: -1002.562223 where: bonds (distance) C4'-P energy: -188.066 bonds (distance) P-C4' energy: -186.799 flat angles C4'-P-C4' energy: -209.570 flat angles P-C4'-P energy: -144.504 tors. eta vs tors. theta energy: -273.624 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: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2947.894021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.894021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.894021 (E_RNA) where: Base-Base interactions energy: -1981.836 where: short stacking energy: -892.343 Base-Backbone interact. energy: -4.470 local terms energy: -961.587849 where: bonds (distance) C4'-P energy: -160.445 bonds (distance) P-C4' energy: -202.106 flat angles C4'-P-C4' energy: -205.479 flat angles P-C4'-P energy: -140.970 tors. eta vs tors. theta energy: -252.587 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: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2857.242869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.242869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.242869 (E_RNA) where: Base-Base interactions energy: -1923.251 where: short stacking energy: -891.594 Base-Backbone interact. energy: -2.563 local terms energy: -931.428675 where: bonds (distance) C4'-P energy: -167.417 bonds (distance) P-C4' energy: -178.839 flat angles C4'-P-C4' energy: -198.673 flat angles P-C4'-P energy: -124.155 tors. eta vs tors. theta energy: -262.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2668.785004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.785004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.785004 (E_RNA) where: Base-Base interactions energy: -1773.450 where: short stacking energy: -832.669 Base-Backbone interact. energy: -2.648 local terms energy: -892.687378 where: bonds (distance) C4'-P energy: -157.652 bonds (distance) P-C4' energy: -164.709 flat angles C4'-P-C4' energy: -197.565 flat angles P-C4'-P energy: -132.887 tors. eta vs tors. theta energy: -239.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2422.164886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.164886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.164886 (E_RNA) where: Base-Base interactions energy: -1625.596 where: short stacking energy: -730.711 Base-Backbone interact. energy: -3.677 local terms energy: -792.892464 where: bonds (distance) C4'-P energy: -160.310 bonds (distance) P-C4' energy: -171.575 flat angles C4'-P-C4' energy: -177.990 flat angles P-C4'-P energy: -106.979 tors. eta vs tors. theta energy: -176.038 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: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2248.040820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.040820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.040820 (E_RNA) where: Base-Base interactions energy: -1484.911 where: short stacking energy: -682.570 Base-Backbone interact. energy: 1.100 local terms energy: -764.230044 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -155.245 flat angles C4'-P-C4' energy: -180.867 flat angles P-C4'-P energy: -101.312 tors. eta vs tors. theta energy: -180.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1891.527815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.527815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.527815 (E_RNA) where: Base-Base interactions energy: -1192.024 where: short stacking energy: -529.246 Base-Backbone interact. energy: -2.915 local terms energy: -696.589337 where: bonds (distance) C4'-P energy: -139.726 bonds (distance) P-C4' energy: -174.321 flat angles C4'-P-C4' energy: -175.204 flat angles P-C4'-P energy: -98.969 tors. eta vs tors. theta energy: -108.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1425.246889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.246889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.246889 (E_RNA) where: Base-Base interactions energy: -848.221 where: short stacking energy: -416.998 Base-Backbone interact. energy: -0.843 local terms energy: -576.183362 where: bonds (distance) C4'-P energy: -142.469 bonds (distance) P-C4' energy: -121.941 flat angles C4'-P-C4' energy: -153.535 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: -75.953 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: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1119.678748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.678748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.678748 (E_RNA) where: Base-Base interactions energy: -582.795 where: short stacking energy: -300.129 Base-Backbone interact. energy: 9.091 local terms energy: -545.974630 where: bonds (distance) C4'-P energy: -167.783 bonds (distance) P-C4' energy: -140.367 flat angles C4'-P-C4' energy: -148.797 flat angles P-C4'-P energy: -85.458 tors. eta vs tors. theta energy: -3.570 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: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -725.371754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.371754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.371754 (E_RNA) where: Base-Base interactions energy: -275.339 where: short stacking energy: -187.225 Base-Backbone interact. energy: -4.285 local terms energy: -445.747217 where: bonds (distance) C4'-P energy: -146.989 bonds (distance) P-C4' energy: -141.735 flat angles C4'-P-C4' energy: -117.355 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: 28.174 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: 238 Temperature: 0.900000 Total energy: -3048.691364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.691364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.691364 (E_RNA) where: Base-Base interactions energy: -2056.377 where: short stacking energy: -937.009 Base-Backbone interact. energy: 0.742 local terms energy: -993.056187 where: bonds (distance) C4'-P energy: -177.862 bonds (distance) P-C4' energy: -179.563 flat angles C4'-P-C4' energy: -206.143 flat angles P-C4'-P energy: -152.832 tors. eta vs tors. theta energy: -276.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2920.418929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.418929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.418929 (E_RNA) where: Base-Base interactions energy: -1986.037 where: short stacking energy: -903.665 Base-Backbone interact. energy: -0.180 local terms energy: -934.201611 where: bonds (distance) C4'-P energy: -159.417 bonds (distance) P-C4' energy: -184.177 flat angles C4'-P-C4' energy: -207.794 flat angles P-C4'-P energy: -138.025 tors. eta vs tors. theta energy: -244.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2852.919095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.919095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.919095 (E_RNA) where: Base-Base interactions energy: -1930.134 where: short stacking energy: -882.978 Base-Backbone interact. energy: 1.795 local terms energy: -924.580585 where: bonds (distance) C4'-P energy: -167.325 bonds (distance) P-C4' energy: -177.156 flat angles C4'-P-C4' energy: -205.719 flat angles P-C4'-P energy: -119.591 tors. eta vs tors. theta energy: -254.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2665.073217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.073217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.073217 (E_RNA) where: Base-Base interactions energy: -1755.330 where: short stacking energy: -836.275 Base-Backbone interact. energy: -0.481 local terms energy: -909.261908 where: bonds (distance) C4'-P energy: -166.552 bonds (distance) P-C4' energy: -162.153 flat angles C4'-P-C4' energy: -203.868 flat angles P-C4'-P energy: -128.752 tors. eta vs tors. theta energy: -247.938 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: 5, replica: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2419.431859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.431859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.431859 (E_RNA) where: Base-Base interactions energy: -1548.080 where: short stacking energy: -708.188 Base-Backbone interact. energy: 2.715 local terms energy: -874.066903 where: bonds (distance) C4'-P energy: -169.154 bonds (distance) P-C4' energy: -172.200 flat angles C4'-P-C4' energy: -195.906 flat angles P-C4'-P energy: -142.773 tors. eta vs tors. theta energy: -194.034 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: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2279.366140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.366140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.366140 (E_RNA) where: Base-Base interactions energy: -1524.046 where: short stacking energy: -706.512 Base-Backbone interact. energy: -3.348 local terms energy: -751.972395 where: bonds (distance) C4'-P energy: -151.224 bonds (distance) P-C4' energy: -131.703 flat angles C4'-P-C4' energy: -179.310 flat angles P-C4'-P energy: -119.294 tors. eta vs tors. theta energy: -170.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1820.625059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.625059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.625059 (E_RNA) where: Base-Base interactions energy: -1152.995 where: short stacking energy: -543.026 Base-Backbone interact. energy: 12.003 local terms energy: -679.633363 where: bonds (distance) C4'-P energy: -147.440 bonds (distance) P-C4' energy: -175.551 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -103.416 tors. eta vs tors. theta energy: -110.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1402.566402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.566402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.566402 (E_RNA) where: Base-Base interactions energy: -817.616 where: short stacking energy: -413.371 Base-Backbone interact. energy: 1.971 local terms energy: -586.921756 where: bonds (distance) C4'-P energy: -162.792 bonds (distance) P-C4' energy: -153.066 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -61.543 tors. eta vs tors. theta energy: -59.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1111.935773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.935773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.935773 (E_RNA) where: Base-Base interactions energy: -603.908 where: short stacking energy: -324.934 Base-Backbone interact. energy: 5.448 local terms energy: -513.476401 where: bonds (distance) C4'-P energy: -139.202 bonds (distance) P-C4' energy: -149.843 flat angles C4'-P-C4' energy: -133.170 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -745.004612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.004612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.004612 (E_RNA) where: Base-Base interactions energy: -270.647 where: short stacking energy: -188.128 Base-Backbone interact. energy: 1.182 local terms energy: -475.539800 where: bonds (distance) C4'-P energy: -164.084 bonds (distance) P-C4' energy: -147.951 flat angles C4'-P-C4' energy: -117.881 flat angles P-C4'-P energy: -79.772 tors. eta vs tors. theta energy: 34.149 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: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3054.302094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.302094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.302094 (E_RNA) where: Base-Base interactions energy: -2046.760 where: short stacking energy: -941.626 Base-Backbone interact. energy: -0.160 local terms energy: -1007.382288 where: bonds (distance) C4'-P energy: -188.990 bonds (distance) P-C4' energy: -179.981 flat angles C4'-P-C4' energy: -216.114 flat angles P-C4'-P energy: -143.480 tors. eta vs tors. theta energy: -278.816 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: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2897.611336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.611336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.611336 (E_RNA) where: Base-Base interactions energy: -1972.303 where: short stacking energy: -885.776 Base-Backbone interact. energy: -3.101 local terms energy: -922.207492 where: bonds (distance) C4'-P energy: -174.533 bonds (distance) P-C4' energy: -164.553 flat angles C4'-P-C4' energy: -205.222 flat angles P-C4'-P energy: -124.800 tors. eta vs tors. theta energy: -253.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2815.930098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.930098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.930098 (E_RNA) where: Base-Base interactions energy: -1920.536 where: short stacking energy: -857.082 Base-Backbone interact. energy: -1.726 local terms energy: -893.667688 where: bonds (distance) C4'-P energy: -168.127 bonds (distance) P-C4' energy: -176.407 flat angles C4'-P-C4' energy: -197.465 flat angles P-C4'-P energy: -107.774 tors. eta vs tors. theta energy: -243.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2658.627889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.627889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.627889 (E_RNA) where: Base-Base interactions energy: -1779.703 where: short stacking energy: -826.333 Base-Backbone interact. energy: -0.916 local terms energy: -878.009137 where: bonds (distance) C4'-P energy: -153.363 bonds (distance) P-C4' energy: -170.616 flat angles C4'-P-C4' energy: -186.588 flat angles P-C4'-P energy: -124.170 tors. eta vs tors. theta energy: -243.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2450.178942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.178942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.178942 (E_RNA) where: Base-Base interactions energy: -1605.173 where: short stacking energy: -730.932 Base-Backbone interact. energy: 0.656 local terms energy: -845.661624 where: bonds (distance) C4'-P energy: -174.675 bonds (distance) P-C4' energy: -157.400 flat angles C4'-P-C4' energy: -183.368 flat angles P-C4'-P energy: -129.077 tors. eta vs tors. theta energy: -201.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2350.154690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.154690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.154690 (E_RNA) where: Base-Base interactions energy: -1521.872 where: short stacking energy: -681.347 Base-Backbone interact. energy: -3.132 local terms energy: -825.151477 where: bonds (distance) C4'-P energy: -146.243 bonds (distance) P-C4' energy: -179.691 flat angles C4'-P-C4' energy: -181.922 flat angles P-C4'-P energy: -137.653 tors. eta vs tors. theta energy: -179.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1822.990132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.990132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.990132 (E_RNA) where: Base-Base interactions energy: -1117.916 where: short stacking energy: -534.108 Base-Backbone interact. energy: -4.037 local terms energy: -701.036921 where: bonds (distance) C4'-P energy: -160.472 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -158.626 flat angles P-C4'-P energy: -102.061 tors. eta vs tors. theta energy: -112.568 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: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1439.535891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.535891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.535891 (E_RNA) where: Base-Base interactions energy: -831.977 where: short stacking energy: -419.546 Base-Backbone interact. energy: 0.409 local terms energy: -607.967565 where: bonds (distance) C4'-P energy: -148.568 bonds (distance) P-C4' energy: -151.835 flat angles C4'-P-C4' energy: -155.948 flat angles P-C4'-P energy: -80.273 tors. eta vs tors. theta energy: -71.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1123.189731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.189731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.189731 (E_RNA) where: Base-Base interactions energy: -565.928 where: short stacking energy: -317.016 Base-Backbone interact. energy: 9.412 local terms energy: -566.674236 where: bonds (distance) C4'-P energy: -150.919 bonds (distance) P-C4' energy: -174.971 flat angles C4'-P-C4' energy: -137.839 flat angles P-C4'-P energy: -69.206 tors. eta vs tors. theta energy: -33.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -721.201030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.201030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.201030 (E_RNA) where: Base-Base interactions energy: -280.020 where: short stacking energy: -222.505 Base-Backbone interact. energy: 3.836 local terms energy: -445.017354 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -165.864 flat angles C4'-P-C4' energy: -107.740 flat angles P-C4'-P energy: -76.650 tors. eta vs tors. theta energy: 34.087 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: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3088.112049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.112049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.112049 (E_RNA) where: Base-Base interactions energy: -2078.770 where: short stacking energy: -933.336 Base-Backbone interact. energy: -2.971 local terms energy: -1006.371280 where: bonds (distance) C4'-P energy: -183.960 bonds (distance) P-C4' energy: -200.442 flat angles C4'-P-C4' energy: -209.662 flat angles P-C4'-P energy: -134.414 tors. eta vs tors. theta energy: -277.894 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: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2907.763960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.763960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.763960 (E_RNA) where: Base-Base interactions energy: -1960.281 where: short stacking energy: -868.071 Base-Backbone interact. energy: -0.762 local terms energy: -946.720984 where: bonds (distance) C4'-P energy: -179.033 bonds (distance) P-C4' energy: -191.242 flat angles C4'-P-C4' energy: -213.796 flat angles P-C4'-P energy: -127.848 tors. eta vs tors. theta energy: -234.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2833.989187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.989187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.989187 (E_RNA) where: Base-Base interactions energy: -1929.035 where: short stacking energy: -874.425 Base-Backbone interact. energy: -2.257 local terms energy: -902.696755 where: bonds (distance) C4'-P energy: -152.453 bonds (distance) P-C4' energy: -162.444 flat angles C4'-P-C4' energy: -212.923 flat angles P-C4'-P energy: -120.230 tors. eta vs tors. theta energy: -254.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2637.398822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.398822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.398822 (E_RNA) where: Base-Base interactions energy: -1755.718 where: short stacking energy: -813.494 Base-Backbone interact. energy: 2.598 local terms energy: -884.279587 where: bonds (distance) C4'-P energy: -165.595 bonds (distance) P-C4' energy: -166.369 flat angles C4'-P-C4' energy: -193.234 flat angles P-C4'-P energy: -120.362 tors. eta vs tors. theta energy: -238.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2421.984862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.984862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.984862 (E_RNA) where: Base-Base interactions energy: -1574.125 where: short stacking energy: -731.884 Base-Backbone interact. energy: -3.560 local terms energy: -844.300394 where: bonds (distance) C4'-P energy: -172.668 bonds (distance) P-C4' energy: -158.006 flat angles C4'-P-C4' energy: -188.818 flat angles P-C4'-P energy: -127.878 tors. eta vs tors. theta energy: -196.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2246.876669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.876669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.876669 (E_RNA) where: Base-Base interactions energy: -1443.054 where: short stacking energy: -679.871 Base-Backbone interact. energy: 0.456 local terms energy: -804.278173 where: bonds (distance) C4'-P energy: -169.991 bonds (distance) P-C4' energy: -176.803 flat angles C4'-P-C4' energy: -164.782 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -191.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1853.994605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.994605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.994605 (E_RNA) where: Base-Base interactions energy: -1186.122 where: short stacking energy: -554.292 Base-Backbone interact. energy: 0.683 local terms energy: -668.554962 where: bonds (distance) C4'-P energy: -142.804 bonds (distance) P-C4' energy: -158.435 flat angles C4'-P-C4' energy: -165.595 flat angles P-C4'-P energy: -80.197 tors. eta vs tors. theta energy: -121.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1386.376658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.376658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.376658 (E_RNA) where: Base-Base interactions energy: -789.672 where: short stacking energy: -408.291 Base-Backbone interact. energy: 2.069 local terms energy: -598.773412 where: bonds (distance) C4'-P energy: -152.520 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -149.945 flat angles P-C4'-P energy: -91.000 tors. eta vs tors. theta energy: -58.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1136.939299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.939299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.939299 (E_RNA) where: Base-Base interactions energy: -612.228 where: short stacking energy: -324.856 Base-Backbone interact. energy: 0.665 local terms energy: -525.376479 where: bonds (distance) C4'-P energy: -123.619 bonds (distance) P-C4' energy: -157.433 flat angles C4'-P-C4' energy: -155.122 flat angles P-C4'-P energy: -67.090 tors. eta vs tors. theta energy: -22.111 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -757.627661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.627661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.627661 (E_RNA) where: Base-Base interactions energy: -280.321 where: short stacking energy: -219.915 Base-Backbone interact. energy: -0.233 local terms energy: -477.074003 where: bonds (distance) C4'-P energy: -138.913 bonds (distance) P-C4' energy: -162.368 flat angles C4'-P-C4' energy: -129.273 flat angles P-C4'-P energy: -72.249 tors. eta vs tors. theta energy: 25.729 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: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3086.355149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.355149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.355149 (E_RNA) where: Base-Base interactions energy: -2105.239 where: short stacking energy: -959.388 Base-Backbone interact. energy: -1.260 local terms energy: -979.856306 where: bonds (distance) C4'-P energy: -165.142 bonds (distance) P-C4' energy: -188.389 flat angles C4'-P-C4' energy: -199.438 flat angles P-C4'-P energy: -151.315 tors. eta vs tors. theta energy: -275.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2919.618391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.618391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.618391 (E_RNA) where: Base-Base interactions energy: -1966.218 where: short stacking energy: -906.622 Base-Backbone interact. energy: -6.723 local terms energy: -946.678136 where: bonds (distance) C4'-P energy: -157.303 bonds (distance) P-C4' energy: -198.816 flat angles C4'-P-C4' energy: -209.277 flat angles P-C4'-P energy: -127.278 tors. eta vs tors. theta energy: -254.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2819.816895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.816895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.816895 (E_RNA) where: Base-Base interactions energy: -1942.064 where: short stacking energy: -870.142 Base-Backbone interact. energy: -2.095 local terms energy: -875.657700 where: bonds (distance) C4'-P energy: -161.120 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -195.545 flat angles P-C4'-P energy: -123.670 tors. eta vs tors. theta energy: -249.232 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: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2673.348631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.348631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.348631 (E_RNA) where: Base-Base interactions energy: -1762.145 where: short stacking energy: -843.766 Base-Backbone interact. energy: 0.853 local terms energy: -912.056660 where: bonds (distance) C4'-P energy: -164.175 bonds (distance) P-C4' energy: -185.969 flat angles C4'-P-C4' energy: -189.386 flat angles P-C4'-P energy: -119.866 tors. eta vs tors. theta energy: -252.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2488.642361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.642361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.642361 (E_RNA) where: Base-Base interactions energy: -1658.071 where: short stacking energy: -772.164 Base-Backbone interact. energy: 0.172 local terms energy: -830.742684 where: bonds (distance) C4'-P energy: -160.569 bonds (distance) P-C4' energy: -163.181 flat angles C4'-P-C4' energy: -191.851 flat angles P-C4'-P energy: -99.777 tors. eta vs tors. theta energy: -215.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2303.834589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.834589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.834589 (E_RNA) where: Base-Base interactions energy: -1536.690 where: short stacking energy: -698.196 Base-Backbone interact. energy: -3.658 local terms energy: -763.486815 where: bonds (distance) C4'-P energy: -136.440 bonds (distance) P-C4' energy: -158.972 flat angles C4'-P-C4' energy: -171.073 flat angles P-C4'-P energy: -122.185 tors. eta vs tors. theta energy: -174.817 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: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1849.015833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.015833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.015833 (E_RNA) where: Base-Base interactions energy: -1167.543 where: short stacking energy: -575.391 Base-Backbone interact. energy: -1.367 local terms energy: -680.105826 where: bonds (distance) C4'-P energy: -149.660 bonds (distance) P-C4' energy: -154.530 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -82.273 tors. eta vs tors. theta energy: -129.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1364.183195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.183195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.183195 (E_RNA) where: Base-Base interactions energy: -811.113 where: short stacking energy: -422.449 Base-Backbone interact. energy: 2.945 local terms energy: -556.015333 where: bonds (distance) C4'-P energy: -147.154 bonds (distance) P-C4' energy: -118.680 flat angles C4'-P-C4' energy: -159.542 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -55.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1134.373655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.373655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.373655 (E_RNA) where: Base-Base interactions energy: -613.923 where: short stacking energy: -325.125 Base-Backbone interact. energy: -3.034 local terms energy: -517.416174 where: bonds (distance) C4'-P energy: -143.355 bonds (distance) P-C4' energy: -134.824 flat angles C4'-P-C4' energy: -145.817 flat angles P-C4'-P energy: -80.633 tors. eta vs tors. theta energy: -12.788 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: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -676.501147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.501147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.501147 (E_RNA) where: Base-Base interactions energy: -266.009 where: short stacking energy: -190.396 Base-Backbone interact. energy: -2.300 local terms energy: -408.192140 where: bonds (distance) C4'-P energy: -111.153 bonds (distance) P-C4' energy: -133.224 flat angles C4'-P-C4' energy: -114.429 flat angles P-C4'-P energy: -71.429 tors. eta vs tors. theta energy: 22.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2990.218434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.218434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.218434 (E_RNA) where: Base-Base interactions energy: -2008.934 where: short stacking energy: -920.844 Base-Backbone interact. energy: -5.007 local terms energy: -976.277834 where: bonds (distance) C4'-P energy: -191.908 bonds (distance) P-C4' energy: -183.477 flat angles C4'-P-C4' energy: -216.323 flat angles P-C4'-P energy: -129.177 tors. eta vs tors. theta energy: -255.393 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: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -3003.072250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.072250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.072250 (E_RNA) where: Base-Base interactions energy: -2010.518 where: short stacking energy: -915.662 Base-Backbone interact. energy: -3.288 local terms energy: -989.265657 where: bonds (distance) C4'-P energy: -177.165 bonds (distance) P-C4' energy: -186.087 flat angles C4'-P-C4' energy: -213.815 flat angles P-C4'-P energy: -129.869 tors. eta vs tors. theta energy: -282.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2814.250786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.250786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.250786 (E_RNA) where: Base-Base interactions energy: -1919.832 where: short stacking energy: -854.309 Base-Backbone interact. energy: -1.548 local terms energy: -892.870662 where: bonds (distance) C4'-P energy: -171.697 bonds (distance) P-C4' energy: -163.639 flat angles C4'-P-C4' energy: -190.832 flat angles P-C4'-P energy: -123.042 tors. eta vs tors. theta energy: -243.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2646.242094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.242094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.242094 (E_RNA) where: Base-Base interactions energy: -1762.919 where: short stacking energy: -847.404 Base-Backbone interact. energy: 0.026 local terms energy: -883.348843 where: bonds (distance) C4'-P energy: -164.670 bonds (distance) P-C4' energy: -167.715 flat angles C4'-P-C4' energy: -184.272 flat angles P-C4'-P energy: -117.318 tors. eta vs tors. theta energy: -249.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2449.400524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.400524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.400524 (E_RNA) where: Base-Base interactions energy: -1620.760 where: short stacking energy: -752.522 Base-Backbone interact. energy: -3.409 local terms energy: -825.231268 where: bonds (distance) C4'-P energy: -156.255 bonds (distance) P-C4' energy: -164.266 flat angles C4'-P-C4' energy: -190.244 flat angles P-C4'-P energy: -107.041 tors. eta vs tors. theta energy: -207.425 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: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2323.611117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.611117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.611117 (E_RNA) where: Base-Base interactions energy: -1534.746 where: short stacking energy: -687.688 Base-Backbone interact. energy: -1.444 local terms energy: -787.421011 where: bonds (distance) C4'-P energy: -154.414 bonds (distance) P-C4' energy: -162.094 flat angles C4'-P-C4' energy: -187.682 flat angles P-C4'-P energy: -107.254 tors. eta vs tors. theta energy: -175.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1902.443953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.443953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.443953 (E_RNA) where: Base-Base interactions energy: -1203.647 where: short stacking energy: -542.614 Base-Backbone interact. energy: 3.722 local terms energy: -702.519451 where: bonds (distance) C4'-P energy: -164.082 bonds (distance) P-C4' energy: -161.178 flat angles C4'-P-C4' energy: -167.212 flat angles P-C4'-P energy: -104.311 tors. eta vs tors. theta energy: -105.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1376.693677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.693677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.693677 (E_RNA) where: Base-Base interactions energy: -783.981 where: short stacking energy: -409.261 Base-Backbone interact. energy: 3.445 local terms energy: -596.157757 where: bonds (distance) C4'-P energy: -166.808 bonds (distance) P-C4' energy: -172.007 flat angles C4'-P-C4' energy: -118.380 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -53.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1140.504409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.504409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.504409 (E_RNA) where: Base-Base interactions energy: -593.085 where: short stacking energy: -305.577 Base-Backbone interact. energy: -1.547 local terms energy: -545.872161 where: bonds (distance) C4'-P energy: -148.223 bonds (distance) P-C4' energy: -169.546 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -78.942 tors. eta vs tors. theta energy: 0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -671.367316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.367316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.367316 (E_RNA) where: Base-Base interactions energy: -238.455 where: short stacking energy: -209.698 Base-Backbone interact. energy: -0.215 local terms energy: -432.698026 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -168.948 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -63.180 tors. eta vs tors. theta energy: 27.045 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: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2972.349870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.349870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.349870 (E_RNA) where: Base-Base interactions energy: -2016.936 where: short stacking energy: -884.216 Base-Backbone interact. energy: -1.731 local terms energy: -953.682469 where: bonds (distance) C4'-P energy: -184.353 bonds (distance) P-C4' energy: -191.891 flat angles C4'-P-C4' energy: -207.916 flat angles P-C4'-P energy: -123.785 tors. eta vs tors. theta energy: -245.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -3013.939431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.939431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.939431 (E_RNA) where: Base-Base interactions energy: -2033.613 where: short stacking energy: -928.540 Base-Backbone interact. energy: -1.205 local terms energy: -979.121288 where: bonds (distance) C4'-P energy: -174.275 bonds (distance) P-C4' energy: -178.503 flat angles C4'-P-C4' energy: -212.494 flat angles P-C4'-P energy: -141.717 tors. eta vs tors. theta energy: -272.132 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2886.500879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.500879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.500879 (E_RNA) where: Base-Base interactions energy: -1948.066 where: short stacking energy: -849.391 Base-Backbone interact. energy: -1.228 local terms energy: -937.207004 where: bonds (distance) C4'-P energy: -164.588 bonds (distance) P-C4' energy: -187.824 flat angles C4'-P-C4' energy: -201.463 flat angles P-C4'-P energy: -141.230 tors. eta vs tors. theta energy: -242.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2637.317100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.317100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.317100 (E_RNA) where: Base-Base interactions energy: -1725.887 where: short stacking energy: -819.187 Base-Backbone interact. energy: 0.238 local terms energy: -911.667684 where: bonds (distance) C4'-P energy: -159.325 bonds (distance) P-C4' energy: -172.952 flat angles C4'-P-C4' energy: -186.252 flat angles P-C4'-P energy: -142.578 tors. eta vs tors. theta energy: -250.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2449.741871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.741871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.741871 (E_RNA) where: Base-Base interactions energy: -1603.527 where: short stacking energy: -734.547 Base-Backbone interact. energy: -2.852 local terms energy: -843.362754 where: bonds (distance) C4'-P energy: -146.160 bonds (distance) P-C4' energy: -172.795 flat angles C4'-P-C4' energy: -176.386 flat angles P-C4'-P energy: -117.605 tors. eta vs tors. theta energy: -230.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2371.701483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.701483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.701483 (E_RNA) where: Base-Base interactions energy: -1565.139 where: short stacking energy: -725.722 Base-Backbone interact. energy: -1.879 local terms energy: -804.683202 where: bonds (distance) C4'-P energy: -158.786 bonds (distance) P-C4' energy: -161.882 flat angles C4'-P-C4' energy: -174.418 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -195.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1839.186325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.186325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.186325 (E_RNA) where: Base-Base interactions energy: -1167.388 where: short stacking energy: -542.985 Base-Backbone interact. energy: 0.796 local terms energy: -672.594007 where: bonds (distance) C4'-P energy: -137.360 bonds (distance) P-C4' energy: -157.019 flat angles C4'-P-C4' energy: -154.089 flat angles P-C4'-P energy: -101.932 tors. eta vs tors. theta energy: -122.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1420.878217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.878217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.878217 (E_RNA) where: Base-Base interactions energy: -803.001 where: short stacking energy: -400.304 Base-Backbone interact. energy: -1.857 local terms energy: -616.020488 where: bonds (distance) C4'-P energy: -139.700 bonds (distance) P-C4' energy: -175.869 flat angles C4'-P-C4' energy: -134.890 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -66.417 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: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1128.612750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.612750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.612750 (E_RNA) where: Base-Base interactions energy: -618.215 where: short stacking energy: -331.589 Base-Backbone interact. energy: -0.774 local terms energy: -509.624227 where: bonds (distance) C4'-P energy: -140.639 bonds (distance) P-C4' energy: -150.772 flat angles C4'-P-C4' energy: -157.129 flat angles P-C4'-P energy: -63.694 tors. eta vs tors. theta energy: 2.610 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: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -656.776837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.776837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.776837 (E_RNA) where: Base-Base interactions energy: -232.768 where: short stacking energy: -195.696 Base-Backbone interact. energy: 4.848 local terms energy: -428.856306 where: bonds (distance) C4'-P energy: -148.389 bonds (distance) P-C4' energy: -138.627 flat angles C4'-P-C4' energy: -113.000 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: 49.542 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: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3083.371377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.371377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.371377 (E_RNA) where: Base-Base interactions energy: -2089.331 where: short stacking energy: -942.532 Base-Backbone interact. energy: -0.938 local terms energy: -993.102558 where: bonds (distance) C4'-P energy: -181.041 bonds (distance) P-C4' energy: -179.526 flat angles C4'-P-C4' energy: -210.950 flat angles P-C4'-P energy: -144.045 tors. eta vs tors. theta energy: -277.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2926.194848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.194848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.194848 (E_RNA) where: Base-Base interactions energy: -1992.176 where: short stacking energy: -857.942 Base-Backbone interact. energy: -6.944 local terms energy: -927.075382 where: bonds (distance) C4'-P energy: -177.135 bonds (distance) P-C4' energy: -167.576 flat angles C4'-P-C4' energy: -213.696 flat angles P-C4'-P energy: -134.114 tors. eta vs tors. theta energy: -234.553 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: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2871.403566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.403566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.403566 (E_RNA) where: Base-Base interactions energy: -1893.429 where: short stacking energy: -843.649 Base-Backbone interact. energy: -5.032 local terms energy: -972.942833 where: bonds (distance) C4'-P energy: -182.229 bonds (distance) P-C4' energy: -188.622 flat angles C4'-P-C4' energy: -198.886 flat angles P-C4'-P energy: -138.072 tors. eta vs tors. theta energy: -265.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2609.141295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.141295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.141295 (E_RNA) where: Base-Base interactions energy: -1739.127 where: short stacking energy: -817.713 Base-Backbone interact. energy: -1.674 local terms energy: -868.340339 where: bonds (distance) C4'-P energy: -176.839 bonds (distance) P-C4' energy: -142.924 flat angles C4'-P-C4' energy: -205.994 flat angles P-C4'-P energy: -104.222 tors. eta vs tors. theta energy: -238.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2420.058995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.058995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.058995 (E_RNA) where: Base-Base interactions energy: -1636.077 where: short stacking energy: -740.333 Base-Backbone interact. energy: 1.703 local terms energy: -785.684448 where: bonds (distance) C4'-P energy: -143.631 bonds (distance) P-C4' energy: -162.985 flat angles C4'-P-C4' energy: -162.768 flat angles P-C4'-P energy: -113.150 tors. eta vs tors. theta energy: -203.151 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: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2292.139651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.139651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.139651 (E_RNA) where: Base-Base interactions energy: -1503.349 where: short stacking energy: -678.792 Base-Backbone interact. energy: -3.004 local terms energy: -785.786890 where: bonds (distance) C4'-P energy: -161.618 bonds (distance) P-C4' energy: -146.479 flat angles C4'-P-C4' energy: -179.165 flat angles P-C4'-P energy: -120.644 tors. eta vs tors. theta energy: -177.881 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: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1859.497279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.497279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.497279 (E_RNA) where: Base-Base interactions energy: -1134.334 where: short stacking energy: -542.249 Base-Backbone interact. energy: -1.376 local terms energy: -723.788055 where: bonds (distance) C4'-P energy: -163.616 bonds (distance) P-C4' energy: -172.711 flat angles C4'-P-C4' energy: -161.849 flat angles P-C4'-P energy: -90.451 tors. eta vs tors. theta energy: -135.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1381.541390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.541390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.541390 (E_RNA) where: Base-Base interactions energy: -770.200 where: short stacking energy: -373.070 Base-Backbone interact. energy: 1.728 local terms energy: -613.068996 where: bonds (distance) C4'-P energy: -162.544 bonds (distance) P-C4' energy: -160.900 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -99.826 tors. eta vs tors. theta energy: -38.755 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: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1134.800568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.800568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.800568 (E_RNA) where: Base-Base interactions energy: -631.871 where: short stacking energy: -330.493 Base-Backbone interact. energy: -2.698 local terms energy: -500.231822 where: bonds (distance) C4'-P energy: -142.450 bonds (distance) P-C4' energy: -144.409 flat angles C4'-P-C4' energy: -138.232 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -692.365845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.365845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.365845 (E_RNA) where: Base-Base interactions energy: -219.292 where: short stacking energy: -192.775 Base-Backbone interact. energy: -3.462 local terms energy: -469.611265 where: bonds (distance) C4'-P energy: -153.763 bonds (distance) P-C4' energy: -176.322 flat angles C4'-P-C4' energy: -119.722 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: 39.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3074.837648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.837648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.837648 (E_RNA) where: Base-Base interactions energy: -2055.307 where: short stacking energy: -911.022 Base-Backbone interact. energy: -1.856 local terms energy: -1017.674797 where: bonds (distance) C4'-P energy: -187.710 bonds (distance) P-C4' energy: -178.585 flat angles C4'-P-C4' energy: -206.337 flat angles P-C4'-P energy: -157.809 tors. eta vs tors. theta energy: -287.233 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: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2899.907608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.907608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.907608 (E_RNA) where: Base-Base interactions energy: -1957.730 where: short stacking energy: -868.489 Base-Backbone interact. energy: -1.865 local terms energy: -940.311969 where: bonds (distance) C4'-P energy: -171.923 bonds (distance) P-C4' energy: -174.774 flat angles C4'-P-C4' energy: -205.546 flat angles P-C4'-P energy: -140.067 tors. eta vs tors. theta energy: -248.002 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: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2888.826731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.826731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.826731 (E_RNA) where: Base-Base interactions energy: -1942.870 where: short stacking energy: -868.764 Base-Backbone interact. energy: -5.985 local terms energy: -939.971338 where: bonds (distance) C4'-P energy: -177.902 bonds (distance) P-C4' energy: -174.996 flat angles C4'-P-C4' energy: -184.477 flat angles P-C4'-P energy: -137.956 tors. eta vs tors. theta energy: -264.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2621.266760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.266760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.266760 (E_RNA) where: Base-Base interactions energy: -1730.378 where: short stacking energy: -852.436 Base-Backbone interact. energy: -4.043 local terms energy: -886.845605 where: bonds (distance) C4'-P energy: -165.980 bonds (distance) P-C4' energy: -155.518 flat angles C4'-P-C4' energy: -193.651 flat angles P-C4'-P energy: -124.996 tors. eta vs tors. theta energy: -246.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2485.543972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.543972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.543972 (E_RNA) where: Base-Base interactions energy: -1625.363 where: short stacking energy: -760.460 Base-Backbone interact. energy: -3.825 local terms energy: -856.356157 where: bonds (distance) C4'-P energy: -171.676 bonds (distance) P-C4' energy: -158.974 flat angles C4'-P-C4' energy: -191.591 flat angles P-C4'-P energy: -124.330 tors. eta vs tors. theta energy: -209.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2308.955745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.955745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.955745 (E_RNA) where: Base-Base interactions energy: -1502.506 where: short stacking energy: -703.438 Base-Backbone interact. energy: -3.633 local terms energy: -802.816057 where: bonds (distance) C4'-P energy: -152.288 bonds (distance) P-C4' energy: -180.251 flat angles C4'-P-C4' energy: -165.866 flat angles P-C4'-P energy: -111.184 tors. eta vs tors. theta energy: -193.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1868.630118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.630118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.630118 (E_RNA) where: Base-Base interactions energy: -1211.360 where: short stacking energy: -563.375 Base-Backbone interact. energy: 6.715 local terms energy: -663.984430 where: bonds (distance) C4'-P energy: -157.878 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -150.955 flat angles P-C4'-P energy: -100.132 tors. eta vs tors. theta energy: -118.928 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: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1405.180116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.180116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.180116 (E_RNA) where: Base-Base interactions energy: -805.493 where: short stacking energy: -416.092 Base-Backbone interact. energy: 1.068 local terms energy: -600.755241 where: bonds (distance) C4'-P energy: -138.361 bonds (distance) P-C4' energy: -151.439 flat angles C4'-P-C4' energy: -155.241 flat angles P-C4'-P energy: -93.470 tors. eta vs tors. theta energy: -62.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1109.307152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.307152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.307152 (E_RNA) where: Base-Base interactions energy: -602.341 where: short stacking energy: -320.806 Base-Backbone interact. energy: 2.227 local terms energy: -509.193463 where: bonds (distance) C4'-P energy: -119.217 bonds (distance) P-C4' energy: -167.038 flat angles C4'-P-C4' energy: -143.253 flat angles P-C4'-P energy: -74.495 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -795.618276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.618276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.618276 (E_RNA) where: Base-Base interactions energy: -336.538 where: short stacking energy: -234.918 Base-Backbone interact. energy: 4.472 local terms energy: -463.552453 where: bonds (distance) C4'-P energy: -144.926 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -116.857 flat angles P-C4'-P energy: -70.030 tors. eta vs tors. theta energy: 15.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3056.664896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.664896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.664896 (E_RNA) where: Base-Base interactions energy: -2051.065 where: short stacking energy: -938.531 Base-Backbone interact. energy: -2.794 local terms energy: -1002.805829 where: bonds (distance) C4'-P energy: -180.923 bonds (distance) P-C4' energy: -188.322 flat angles C4'-P-C4' energy: -206.954 flat angles P-C4'-P energy: -153.282 tors. eta vs tors. theta energy: -273.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2922.141499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.141499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.141499 (E_RNA) where: Base-Base interactions energy: -1981.158 where: short stacking energy: -911.826 Base-Backbone interact. energy: -2.016 local terms energy: -938.967176 where: bonds (distance) C4'-P energy: -188.766 bonds (distance) P-C4' energy: -174.314 flat angles C4'-P-C4' energy: -203.711 flat angles P-C4'-P energy: -125.898 tors. eta vs tors. theta energy: -246.278 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: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2898.994294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.994294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.994294 (E_RNA) where: Base-Base interactions energy: -1958.000 where: short stacking energy: -870.410 Base-Backbone interact. energy: -3.916 local terms energy: -937.077531 where: bonds (distance) C4'-P energy: -166.220 bonds (distance) P-C4' energy: -186.673 flat angles C4'-P-C4' energy: -205.127 flat angles P-C4'-P energy: -117.605 tors. eta vs tors. theta energy: -261.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2601.014589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.014589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.014589 (E_RNA) where: Base-Base interactions energy: -1719.734 where: short stacking energy: -777.558 Base-Backbone interact. energy: -0.896 local terms energy: -880.383907 where: bonds (distance) C4'-P energy: -172.235 bonds (distance) P-C4' energy: -153.388 flat angles C4'-P-C4' energy: -192.826 flat angles P-C4'-P energy: -128.627 tors. eta vs tors. theta energy: -233.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2456.473770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.473770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.473770 (E_RNA) where: Base-Base interactions energy: -1651.611 where: short stacking energy: -762.201 Base-Backbone interact. energy: 2.316 local terms energy: -807.178673 where: bonds (distance) C4'-P energy: -144.769 bonds (distance) P-C4' energy: -155.785 flat angles C4'-P-C4' energy: -169.191 flat angles P-C4'-P energy: -119.720 tors. eta vs tors. theta energy: -217.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2293.138749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.138749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.138749 (E_RNA) where: Base-Base interactions energy: -1530.277 where: short stacking energy: -722.875 Base-Backbone interact. energy: -0.948 local terms energy: -761.913910 where: bonds (distance) C4'-P energy: -157.109 bonds (distance) P-C4' energy: -141.620 flat angles C4'-P-C4' energy: -177.279 flat angles P-C4'-P energy: -123.214 tors. eta vs tors. theta energy: -162.691 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: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1916.973235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.973235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.973235 (E_RNA) where: Base-Base interactions energy: -1223.529 where: short stacking energy: -551.362 Base-Backbone interact. energy: -2.485 local terms energy: -690.958721 where: bonds (distance) C4'-P energy: -153.120 bonds (distance) P-C4' energy: -168.209 flat angles C4'-P-C4' energy: -161.812 flat angles P-C4'-P energy: -90.572 tors. eta vs tors. theta energy: -117.246 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: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1394.511032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.511032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.511032 (E_RNA) where: Base-Base interactions energy: -767.265 where: short stacking energy: -381.921 Base-Backbone interact. energy: -2.622 local terms energy: -624.623482 where: bonds (distance) C4'-P energy: -170.321 bonds (distance) P-C4' energy: -159.028 flat angles C4'-P-C4' energy: -156.847 flat angles P-C4'-P energy: -79.566 tors. eta vs tors. theta energy: -58.861 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: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1112.956825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.956825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.956825 (E_RNA) where: Base-Base interactions energy: -577.172 where: short stacking energy: -304.435 Base-Backbone interact. energy: 0.374 local terms energy: -536.158925 where: bonds (distance) C4'-P energy: -143.568 bonds (distance) P-C4' energy: -141.155 flat angles C4'-P-C4' energy: -159.063 flat angles P-C4'-P energy: -76.611 tors. eta vs tors. theta energy: -15.762 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: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -782.709360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.709360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.709360 (E_RNA) where: Base-Base interactions energy: -320.902 where: short stacking energy: -242.192 Base-Backbone interact. energy: 4.794 local terms energy: -466.602197 where: bonds (distance) C4'-P energy: -161.220 bonds (distance) P-C4' energy: -140.724 flat angles C4'-P-C4' energy: -111.461 flat angles P-C4'-P energy: -75.045 tors. eta vs tors. theta energy: 21.848 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: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3081.329945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.329945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.329945 (E_RNA) where: Base-Base interactions energy: -2094.982 where: short stacking energy: -955.390 Base-Backbone interact. energy: -0.286 local terms energy: -986.062258 where: bonds (distance) C4'-P energy: -187.879 bonds (distance) P-C4' energy: -182.350 flat angles C4'-P-C4' energy: -208.832 flat angles P-C4'-P energy: -143.054 tors. eta vs tors. theta energy: -263.948 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: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2914.384588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.384588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.384588 (E_RNA) where: Base-Base interactions energy: -1990.976 where: short stacking energy: -872.283 Base-Backbone interact. energy: -5.992 local terms energy: -917.416120 where: bonds (distance) C4'-P energy: -160.444 bonds (distance) P-C4' energy: -175.103 flat angles C4'-P-C4' energy: -206.718 flat angles P-C4'-P energy: -132.312 tors. eta vs tors. theta energy: -242.840 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: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2860.125154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.125154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.125154 (E_RNA) where: Base-Base interactions energy: -1929.001 where: short stacking energy: -870.311 Base-Backbone interact. energy: -1.230 local terms energy: -929.893241 where: bonds (distance) C4'-P energy: -157.299 bonds (distance) P-C4' energy: -177.083 flat angles C4'-P-C4' energy: -204.157 flat angles P-C4'-P energy: -131.442 tors. eta vs tors. theta energy: -259.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2604.195882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.195882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.195882 (E_RNA) where: Base-Base interactions energy: -1700.552 where: short stacking energy: -797.790 Base-Backbone interact. energy: -2.982 local terms energy: -900.662240 where: bonds (distance) C4'-P energy: -170.244 bonds (distance) P-C4' energy: -177.642 flat angles C4'-P-C4' energy: -186.881 flat angles P-C4'-P energy: -131.280 tors. eta vs tors. theta energy: -234.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2463.487230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.487230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.487230 (E_RNA) where: Base-Base interactions energy: -1635.533 where: short stacking energy: -726.845 Base-Backbone interact. energy: -2.583 local terms energy: -825.371020 where: bonds (distance) C4'-P energy: -149.695 bonds (distance) P-C4' energy: -164.036 flat angles C4'-P-C4' energy: -179.021 flat angles P-C4'-P energy: -133.206 tors. eta vs tors. theta energy: -199.413 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: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2314.326887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.326887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.326887 (E_RNA) where: Base-Base interactions energy: -1529.301 where: short stacking energy: -710.842 Base-Backbone interact. energy: 2.506 local terms energy: -787.531155 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -170.191 flat angles C4'-P-C4' energy: -186.163 flat angles P-C4'-P energy: -118.284 tors. eta vs tors. theta energy: -170.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1920.134099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.134099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.134099 (E_RNA) where: Base-Base interactions energy: -1207.783 where: short stacking energy: -549.030 Base-Backbone interact. energy: 1.347 local terms energy: -713.697423 where: bonds (distance) C4'-P energy: -149.827 bonds (distance) P-C4' energy: -174.252 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -104.224 tors. eta vs tors. theta energy: -126.524 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: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1413.686552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.686552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.686552 (E_RNA) where: Base-Base interactions energy: -857.665 where: short stacking energy: -423.532 Base-Backbone interact. energy: 1.835 local terms energy: -557.856310 where: bonds (distance) C4'-P energy: -124.834 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -149.657 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -55.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1079.276476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.276476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.276476 (E_RNA) where: Base-Base interactions energy: -571.458 where: short stacking energy: -326.891 Base-Backbone interact. energy: 3.012 local terms energy: -510.831349 where: bonds (distance) C4'-P energy: -133.742 bonds (distance) P-C4' energy: -152.236 flat angles C4'-P-C4' energy: -143.042 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: 1.060 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: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -659.626616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.626616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.626616 (E_RNA) where: Base-Base interactions energy: -243.320 where: short stacking energy: -189.932 Base-Backbone interact. energy: 1.922 local terms energy: -418.227956 where: bonds (distance) C4'-P energy: -115.730 bonds (distance) P-C4' energy: -147.630 flat angles C4'-P-C4' energy: -119.397 flat angles P-C4'-P energy: -68.315 tors. eta vs tors. theta energy: 32.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3086.262487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.262487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.262487 (E_RNA) where: Base-Base interactions energy: -2045.927 where: short stacking energy: -935.742 Base-Backbone interact. energy: -1.627 local terms energy: -1038.708465 where: bonds (distance) C4'-P energy: -176.397 bonds (distance) P-C4' energy: -206.342 flat angles C4'-P-C4' energy: -212.656 flat angles P-C4'-P energy: -150.133 tors. eta vs tors. theta energy: -293.181 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: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2908.706865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.706865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.706865 (E_RNA) where: Base-Base interactions energy: -1995.315 where: short stacking energy: -840.962 Base-Backbone interact. energy: -2.250 local terms energy: -911.142266 where: bonds (distance) C4'-P energy: -179.826 bonds (distance) P-C4' energy: -178.011 flat angles C4'-P-C4' energy: -203.098 flat angles P-C4'-P energy: -114.628 tors. eta vs tors. theta energy: -235.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2858.483051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.483051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.483051 (E_RNA) where: Base-Base interactions energy: -1941.988 where: short stacking energy: -858.136 Base-Backbone interact. energy: 0.243 local terms energy: -916.737888 where: bonds (distance) C4'-P energy: -158.055 bonds (distance) P-C4' energy: -167.165 flat angles C4'-P-C4' energy: -203.066 flat angles P-C4'-P energy: -122.613 tors. eta vs tors. theta energy: -265.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2675.130142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.130142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.130142 (E_RNA) where: Base-Base interactions energy: -1780.489 where: short stacking energy: -831.562 Base-Backbone interact. energy: -2.644 local terms energy: -891.997456 where: bonds (distance) C4'-P energy: -165.642 bonds (distance) P-C4' energy: -170.863 flat angles C4'-P-C4' energy: -197.253 flat angles P-C4'-P energy: -118.164 tors. eta vs tors. theta energy: -240.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2519.319552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.319552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.319552 (E_RNA) where: Base-Base interactions energy: -1652.035 where: short stacking energy: -752.910 Base-Backbone interact. energy: -2.442 local terms energy: -864.843071 where: bonds (distance) C4'-P energy: -159.360 bonds (distance) P-C4' energy: -163.416 flat angles C4'-P-C4' energy: -200.340 flat angles P-C4'-P energy: -130.775 tors. eta vs tors. theta energy: -210.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2292.952561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.952561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.952561 (E_RNA) where: Base-Base interactions energy: -1528.425 where: short stacking energy: -712.229 Base-Backbone interact. energy: -2.289 local terms energy: -762.238238 where: bonds (distance) C4'-P energy: -141.432 bonds (distance) P-C4' energy: -161.741 flat angles C4'-P-C4' energy: -163.891 flat angles P-C4'-P energy: -107.934 tors. eta vs tors. theta energy: -187.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1960.584739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.584739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.584739 (E_RNA) where: Base-Base interactions energy: -1266.808 where: short stacking energy: -597.262 Base-Backbone interact. energy: -0.885 local terms energy: -692.891726 where: bonds (distance) C4'-P energy: -145.835 bonds (distance) P-C4' energy: -173.236 flat angles C4'-P-C4' energy: -158.993 flat angles P-C4'-P energy: -88.346 tors. eta vs tors. theta energy: -126.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1456.798155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.798155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.798155 (E_RNA) where: Base-Base interactions energy: -823.577 where: short stacking energy: -432.585 Base-Backbone interact. energy: 5.360 local terms energy: -638.581002 where: bonds (distance) C4'-P energy: -141.434 bonds (distance) P-C4' energy: -127.863 flat angles C4'-P-C4' energy: -184.871 flat angles P-C4'-P energy: -99.060 tors. eta vs tors. theta energy: -85.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1091.020568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.020568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.020568 (E_RNA) where: Base-Base interactions energy: -592.929 where: short stacking energy: -325.433 Base-Backbone interact. energy: 7.846 local terms energy: -505.937152 where: bonds (distance) C4'-P energy: -162.491 bonds (distance) P-C4' energy: -140.481 flat angles C4'-P-C4' energy: -119.486 flat angles P-C4'-P energy: -65.012 tors. eta vs tors. theta energy: -18.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -696.151705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.151705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.151705 (E_RNA) where: Base-Base interactions energy: -270.444 where: short stacking energy: -204.736 Base-Backbone interact. energy: 2.128 local terms energy: -427.835741 where: bonds (distance) C4'-P energy: -133.470 bonds (distance) P-C4' energy: -168.075 flat angles C4'-P-C4' energy: -115.304 flat angles P-C4'-P energy: -38.111 tors. eta vs tors. theta energy: 27.123 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: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3126.812315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.812315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.812315 (E_RNA) where: Base-Base interactions energy: -2104.143 where: short stacking energy: -951.188 Base-Backbone interact. energy: -0.939 local terms energy: -1021.729739 where: bonds (distance) C4'-P energy: -192.843 bonds (distance) P-C4' energy: -179.089 flat angles C4'-P-C4' energy: -210.544 flat angles P-C4'-P energy: -157.940 tors. eta vs tors. theta energy: -281.314 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: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2955.482769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.482769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.482769 (E_RNA) where: Base-Base interactions energy: -2016.271 where: short stacking energy: -880.950 Base-Backbone interact. energy: -4.331 local terms energy: -934.880836 where: bonds (distance) C4'-P energy: -182.335 bonds (distance) P-C4' energy: -178.809 flat angles C4'-P-C4' energy: -208.976 flat angles P-C4'-P energy: -131.637 tors. eta vs tors. theta energy: -233.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2844.443535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.443535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.443535 (E_RNA) where: Base-Base interactions energy: -1918.843 where: short stacking energy: -844.963 Base-Backbone interact. energy: -0.006 local terms energy: -925.595338 where: bonds (distance) C4'-P energy: -168.566 bonds (distance) P-C4' energy: -185.031 flat angles C4'-P-C4' energy: -193.657 flat angles P-C4'-P energy: -126.300 tors. eta vs tors. theta energy: -252.040 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: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2584.089385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.089385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.089385 (E_RNA) where: Base-Base interactions energy: -1709.525 where: short stacking energy: -775.948 Base-Backbone interact. energy: -1.195 local terms energy: -873.369371 where: bonds (distance) C4'-P energy: -167.281 bonds (distance) P-C4' energy: -171.507 flat angles C4'-P-C4' energy: -191.922 flat angles P-C4'-P energy: -125.533 tors. eta vs tors. theta energy: -217.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2492.095382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.095382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.095382 (E_RNA) where: Base-Base interactions energy: -1684.442 where: short stacking energy: -733.970 Base-Backbone interact. energy: 1.144 local terms energy: -808.797016 where: bonds (distance) C4'-P energy: -170.878 bonds (distance) P-C4' energy: -157.848 flat angles C4'-P-C4' energy: -165.211 flat angles P-C4'-P energy: -109.385 tors. eta vs tors. theta energy: -205.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2272.708305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.708305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.708305 (E_RNA) where: Base-Base interactions energy: -1479.640 where: short stacking energy: -683.311 Base-Backbone interact. energy: -0.132 local terms energy: -792.936774 where: bonds (distance) C4'-P energy: -167.374 bonds (distance) P-C4' energy: -175.207 flat angles C4'-P-C4' energy: -177.607 flat angles P-C4'-P energy: -92.109 tors. eta vs tors. theta energy: -180.639 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: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1857.692064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.692064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.692064 (E_RNA) where: Base-Base interactions energy: -1174.980 where: short stacking energy: -531.500 Base-Backbone interact. energy: -3.625 local terms energy: -679.086936 where: bonds (distance) C4'-P energy: -134.368 bonds (distance) P-C4' energy: -148.937 flat angles C4'-P-C4' energy: -163.335 flat angles P-C4'-P energy: -106.882 tors. eta vs tors. theta energy: -125.565 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: 249 Temperature: 1.250000 Total energy: -1435.253049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.253049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.253049 (E_RNA) where: Base-Base interactions energy: -821.317 where: short stacking energy: -416.066 Base-Backbone interact. energy: -0.603 local terms energy: -613.332890 where: bonds (distance) C4'-P energy: -145.300 bonds (distance) P-C4' energy: -158.754 flat angles C4'-P-C4' energy: -153.684 flat angles P-C4'-P energy: -90.742 tors. eta vs tors. theta energy: -64.853 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: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1059.367781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.367781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.367781 (E_RNA) where: Base-Base interactions energy: -565.167 where: short stacking energy: -307.424 Base-Backbone interact. energy: 1.444 local terms energy: -495.644447 where: bonds (distance) C4'-P energy: -141.311 bonds (distance) P-C4' energy: -161.500 flat angles C4'-P-C4' energy: -113.517 flat angles P-C4'-P energy: -78.422 tors. eta vs tors. theta energy: -0.894 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -746.252508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.252508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.252508 (E_RNA) where: Base-Base interactions energy: -285.762 where: short stacking energy: -206.728 Base-Backbone interact. energy: -0.572 local terms energy: -459.918228 where: bonds (distance) C4'-P energy: -160.381 bonds (distance) P-C4' energy: -155.517 flat angles C4'-P-C4' energy: -120.943 flat angles P-C4'-P energy: -69.387 tors. eta vs tors. theta energy: 46.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3120.614963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.614963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.614963 (E_RNA) where: Base-Base interactions energy: -2117.362 where: short stacking energy: -975.767 Base-Backbone interact. energy: -1.697 local terms energy: -1001.556347 where: bonds (distance) C4'-P energy: -175.658 bonds (distance) P-C4' energy: -190.364 flat angles C4'-P-C4' energy: -208.560 flat angles P-C4'-P energy: -136.890 tors. eta vs tors. theta energy: -290.084 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: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2912.760233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.760233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.760233 (E_RNA) where: Base-Base interactions energy: -1956.529 where: short stacking energy: -862.380 Base-Backbone interact. energy: -1.686 local terms energy: -954.545246 where: bonds (distance) C4'-P energy: -182.032 bonds (distance) P-C4' energy: -185.037 flat angles C4'-P-C4' energy: -212.539 flat angles P-C4'-P energy: -142.962 tors. eta vs tors. theta energy: -231.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2803.066957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.066957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.066957 (E_RNA) where: Base-Base interactions energy: -1909.814 where: short stacking energy: -851.888 Base-Backbone interact. energy: -4.638 local terms energy: -888.614926 where: bonds (distance) C4'-P energy: -154.868 bonds (distance) P-C4' energy: -187.969 flat angles C4'-P-C4' energy: -201.992 flat angles P-C4'-P energy: -108.805 tors. eta vs tors. theta energy: -234.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2600.679071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.679071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.679071 (E_RNA) where: Base-Base interactions energy: -1730.130 where: short stacking energy: -798.599 Base-Backbone interact. energy: -1.155 local terms energy: -869.394312 where: bonds (distance) C4'-P energy: -147.463 bonds (distance) P-C4' energy: -185.042 flat angles C4'-P-C4' energy: -194.638 flat angles P-C4'-P energy: -110.565 tors. eta vs tors. theta energy: -231.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2517.953981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.953981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.953981 (E_RNA) where: Base-Base interactions energy: -1664.093 where: short stacking energy: -747.982 Base-Backbone interact. energy: -3.541 local terms energy: -850.319988 where: bonds (distance) C4'-P energy: -173.425 bonds (distance) P-C4' energy: -171.587 flat angles C4'-P-C4' energy: -166.733 flat angles P-C4'-P energy: -123.206 tors. eta vs tors. theta energy: -215.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2383.476892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.476892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.476892 (E_RNA) where: Base-Base interactions energy: -1615.116 where: short stacking energy: -709.968 Base-Backbone interact. energy: 2.407 local terms energy: -770.767648 where: bonds (distance) C4'-P energy: -145.189 bonds (distance) P-C4' energy: -155.991 flat angles C4'-P-C4' energy: -184.217 flat angles P-C4'-P energy: -104.917 tors. eta vs tors. theta energy: -180.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1842.714567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.714567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.714567 (E_RNA) where: Base-Base interactions energy: -1165.802 where: short stacking energy: -546.407 Base-Backbone interact. energy: -1.825 local terms energy: -675.087786 where: bonds (distance) C4'-P energy: -138.675 bonds (distance) P-C4' energy: -150.953 flat angles C4'-P-C4' energy: -155.926 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -118.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1508.980455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.980455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.980455 (E_RNA) where: Base-Base interactions energy: -908.702 where: short stacking energy: -450.394 Base-Backbone interact. energy: 5.368 local terms energy: -605.646366 where: bonds (distance) C4'-P energy: -145.458 bonds (distance) P-C4' energy: -144.169 flat angles C4'-P-C4' energy: -152.629 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -82.877 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: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1088.383259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.383259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.383259 (E_RNA) where: Base-Base interactions energy: -561.524 where: short stacking energy: -340.818 Base-Backbone interact. energy: -0.073 local terms energy: -526.786462 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -177.516 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -62.672 tors. eta vs tors. theta energy: -0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -684.294327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.294327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.294327 (E_RNA) where: Base-Base interactions energy: -274.006 where: short stacking energy: -178.994 Base-Backbone interact. energy: 12.684 local terms energy: -422.972356 where: bonds (distance) C4'-P energy: -123.861 bonds (distance) P-C4' energy: -160.555 flat angles C4'-P-C4' energy: -113.047 flat angles P-C4'-P energy: -70.104 tors. eta vs tors. theta energy: 44.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3073.005196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.005196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.005196 (E_RNA) where: Base-Base interactions energy: -2071.926 where: short stacking energy: -946.730 Base-Backbone interact. energy: -0.318 local terms energy: -1000.761520 where: bonds (distance) C4'-P energy: -177.704 bonds (distance) P-C4' energy: -189.450 flat angles C4'-P-C4' energy: -211.614 flat angles P-C4'-P energy: -146.530 tors. eta vs tors. theta energy: -275.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2889.094246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.094246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.094246 (E_RNA) where: Base-Base interactions energy: -1967.792 where: short stacking energy: -876.206 Base-Backbone interact. energy: -4.836 local terms energy: -916.466680 where: bonds (distance) C4'-P energy: -166.185 bonds (distance) P-C4' energy: -185.207 flat angles C4'-P-C4' energy: -203.736 flat angles P-C4'-P energy: -118.386 tors. eta vs tors. theta energy: -242.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2777.982463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.982463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.982463 (E_RNA) where: Base-Base interactions energy: -1844.406 where: short stacking energy: -836.782 Base-Backbone interact. energy: -0.989 local terms energy: -932.587545 where: bonds (distance) C4'-P energy: -187.837 bonds (distance) P-C4' energy: -174.062 flat angles C4'-P-C4' energy: -210.207 flat angles P-C4'-P energy: -120.869 tors. eta vs tors. theta energy: -239.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2624.578574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.578574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.578574 (E_RNA) where: Base-Base interactions energy: -1762.370 where: short stacking energy: -827.373 Base-Backbone interact. energy: 2.001 local terms energy: -864.210481 where: bonds (distance) C4'-P energy: -175.463 bonds (distance) P-C4' energy: -161.732 flat angles C4'-P-C4' energy: -187.810 flat angles P-C4'-P energy: -123.151 tors. eta vs tors. theta energy: -216.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2524.418513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.418513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.418513 (E_RNA) where: Base-Base interactions energy: -1671.614 where: short stacking energy: -760.142 Base-Backbone interact. energy: -2.072 local terms energy: -850.732712 where: bonds (distance) C4'-P energy: -150.486 bonds (distance) P-C4' energy: -179.566 flat angles C4'-P-C4' energy: -185.573 flat angles P-C4'-P energy: -122.389 tors. eta vs tors. theta energy: -212.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2445.817772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.817772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.817772 (E_RNA) where: Base-Base interactions energy: -1649.781 where: short stacking energy: -755.417 Base-Backbone interact. energy: 3.448 local terms energy: -799.484350 where: bonds (distance) C4'-P energy: -135.261 bonds (distance) P-C4' energy: -171.615 flat angles C4'-P-C4' energy: -176.917 flat angles P-C4'-P energy: -116.792 tors. eta vs tors. theta energy: -198.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1809.404338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.404338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.404338 (E_RNA) where: Base-Base interactions energy: -1162.474 where: short stacking energy: -531.894 Base-Backbone interact. energy: 2.254 local terms energy: -649.183507 where: bonds (distance) C4'-P energy: -143.138 bonds (distance) P-C4' energy: -151.298 flat angles C4'-P-C4' energy: -157.661 flat angles P-C4'-P energy: -92.222 tors. eta vs tors. theta energy: -104.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1533.266261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.266261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.266261 (E_RNA) where: Base-Base interactions energy: -905.359 where: short stacking energy: -417.588 Base-Backbone interact. energy: -3.640 local terms energy: -624.267941 where: bonds (distance) C4'-P energy: -150.983 bonds (distance) P-C4' energy: -163.899 flat angles C4'-P-C4' energy: -153.189 flat angles P-C4'-P energy: -90.838 tors. eta vs tors. theta energy: -65.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1110.313152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.313152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.313152 (E_RNA) where: Base-Base interactions energy: -548.049 where: short stacking energy: -316.532 Base-Backbone interact. energy: -0.405 local terms energy: -561.859389 where: bonds (distance) C4'-P energy: -164.642 bonds (distance) P-C4' energy: -154.101 flat angles C4'-P-C4' energy: -140.371 flat angles P-C4'-P energy: -84.086 tors. eta vs tors. theta energy: -18.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -702.216933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.216933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.216933 (E_RNA) where: Base-Base interactions energy: -256.844 where: short stacking energy: -186.889 Base-Backbone interact. energy: 1.156 local terms energy: -446.528250 where: bonds (distance) C4'-P energy: -129.819 bonds (distance) P-C4' energy: -164.940 flat angles C4'-P-C4' energy: -120.560 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: 26.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3090.711397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.711397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.711397 (E_RNA) where: Base-Base interactions energy: -2079.389 where: short stacking energy: -950.680 Base-Backbone interact. energy: 0.101 local terms energy: -1011.424157 where: bonds (distance) C4'-P energy: -168.658 bonds (distance) P-C4' energy: -190.491 flat angles C4'-P-C4' energy: -215.445 flat angles P-C4'-P energy: -146.698 tors. eta vs tors. theta energy: -290.132 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: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2899.102287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.102287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.102287 (E_RNA) where: Base-Base interactions energy: -1988.884 where: short stacking energy: -883.953 Base-Backbone interact. energy: -2.294 local terms energy: -907.924072 where: bonds (distance) C4'-P energy: -163.412 bonds (distance) P-C4' energy: -177.370 flat angles C4'-P-C4' energy: -193.890 flat angles P-C4'-P energy: -131.014 tors. eta vs tors. theta energy: -242.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2828.539129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.539129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.539129 (E_RNA) where: Base-Base interactions energy: -1896.595 where: short stacking energy: -841.395 Base-Backbone interact. energy: -4.337 local terms energy: -927.606333 where: bonds (distance) C4'-P energy: -197.304 bonds (distance) P-C4' energy: -154.241 flat angles C4'-P-C4' energy: -198.317 flat angles P-C4'-P energy: -139.468 tors. eta vs tors. theta energy: -238.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2644.904131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.904131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.904131 (E_RNA) where: Base-Base interactions energy: -1780.006 where: short stacking energy: -831.965 Base-Backbone interact. energy: -2.822 local terms energy: -862.076011 where: bonds (distance) C4'-P energy: -164.724 bonds (distance) P-C4' energy: -140.050 flat angles C4'-P-C4' energy: -200.567 flat angles P-C4'-P energy: -126.169 tors. eta vs tors. theta energy: -230.565 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: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2536.823070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.823070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.823070 (E_RNA) where: Base-Base interactions energy: -1699.061 where: short stacking energy: -750.180 Base-Backbone interact. energy: 0.817 local terms energy: -838.579131 where: bonds (distance) C4'-P energy: -166.454 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -197.825 flat angles P-C4'-P energy: -108.345 tors. eta vs tors. theta energy: -213.182 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: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2489.027205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.027205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.027205 (E_RNA) where: Base-Base interactions energy: -1670.789 where: short stacking energy: -738.961 Base-Backbone interact. energy: 4.344 local terms energy: -822.581730 where: bonds (distance) C4'-P energy: -169.498 bonds (distance) P-C4' energy: -153.756 flat angles C4'-P-C4' energy: -169.408 flat angles P-C4'-P energy: -123.860 tors. eta vs tors. theta energy: -206.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1787.589032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.589032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.589032 (E_RNA) where: Base-Base interactions energy: -1117.830 where: short stacking energy: -538.886 Base-Backbone interact. energy: -2.411 local terms energy: -667.347591 where: bonds (distance) C4'-P energy: -153.060 bonds (distance) P-C4' energy: -157.153 flat angles C4'-P-C4' energy: -169.299 flat angles P-C4'-P energy: -74.844 tors. eta vs tors. theta energy: -112.991 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: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1502.913129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.913129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.913129 (E_RNA) where: Base-Base interactions energy: -874.788 where: short stacking energy: -416.407 Base-Backbone interact. energy: 3.798 local terms energy: -631.923385 where: bonds (distance) C4'-P energy: -155.041 bonds (distance) P-C4' energy: -159.721 flat angles C4'-P-C4' energy: -172.943 flat angles P-C4'-P energy: -86.771 tors. eta vs tors. theta energy: -57.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1091.393473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.393473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.393473 (E_RNA) where: Base-Base interactions energy: -590.504 where: short stacking energy: -306.891 Base-Backbone interact. energy: 1.495 local terms energy: -502.384198 where: bonds (distance) C4'-P energy: -148.493 bonds (distance) P-C4' energy: -134.651 flat angles C4'-P-C4' energy: -108.463 flat angles P-C4'-P energy: -92.217 tors. eta vs tors. theta energy: -18.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -791.493840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.493840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.493840 (E_RNA) where: Base-Base interactions energy: -312.948 where: short stacking energy: -232.933 Base-Backbone interact. energy: 7.706 local terms energy: -486.252430 where: bonds (distance) C4'-P energy: -143.096 bonds (distance) P-C4' energy: -154.937 flat angles C4'-P-C4' energy: -140.940 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: 20.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3089.387919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.387919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.387919 (E_RNA) where: Base-Base interactions energy: -2084.059 where: short stacking energy: -981.237 Base-Backbone interact. energy: 0.035 local terms energy: -1005.363592 where: bonds (distance) C4'-P energy: -184.991 bonds (distance) P-C4' energy: -174.833 flat angles C4'-P-C4' energy: -213.650 flat angles P-C4'-P energy: -142.848 tors. eta vs tors. theta energy: -289.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2922.828660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.828660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.828660 (E_RNA) where: Base-Base interactions energy: -1980.364 where: short stacking energy: -882.493 Base-Backbone interact. energy: -2.144 local terms energy: -940.321037 where: bonds (distance) C4'-P energy: -191.099 bonds (distance) P-C4' energy: -176.626 flat angles C4'-P-C4' energy: -204.324 flat angles P-C4'-P energy: -130.627 tors. eta vs tors. theta energy: -237.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2817.004690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.004690 (E_RNA) where: Base-Base interactions energy: -1895.778 where: short stacking energy: -873.374 Base-Backbone interact. energy: -3.851 local terms energy: -917.375837 where: bonds (distance) C4'-P energy: -171.965 bonds (distance) P-C4' energy: -176.734 flat angles C4'-P-C4' energy: -198.872 flat angles P-C4'-P energy: -110.236 tors. eta vs tors. theta energy: -259.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2588.808347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.808347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.808347 (E_RNA) where: Base-Base interactions energy: -1707.634 where: short stacking energy: -823.803 Base-Backbone interact. energy: -3.118 local terms energy: -878.055878 where: bonds (distance) C4'-P energy: -174.614 bonds (distance) P-C4' energy: -156.121 flat angles C4'-P-C4' energy: -196.221 flat angles P-C4'-P energy: -127.600 tors. eta vs tors. theta energy: -223.499 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: 253 Temperature: 1.100000 Total energy: -2546.155822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.155822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.155822 (E_RNA) where: Base-Base interactions energy: -1685.655 where: short stacking energy: -788.701 Base-Backbone interact. energy: -1.727 local terms energy: -858.774278 where: bonds (distance) C4'-P energy: -162.514 bonds (distance) P-C4' energy: -170.696 flat angles C4'-P-C4' energy: -190.137 flat angles P-C4'-P energy: -110.741 tors. eta vs tors. theta energy: -224.686 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: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2491.522761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.522761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.522761 (E_RNA) where: Base-Base interactions energy: -1680.869 where: short stacking energy: -759.597 Base-Backbone interact. energy: -3.243 local terms energy: -807.410582 where: bonds (distance) C4'-P energy: -163.686 bonds (distance) P-C4' energy: -144.057 flat angles C4'-P-C4' energy: -179.446 flat angles P-C4'-P energy: -112.561 tors. eta vs tors. theta energy: -207.661 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: 253 Temperature: 1.200000 Total energy: -1813.639802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.639802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.639802 (E_RNA) where: Base-Base interactions energy: -1131.834 where: short stacking energy: -518.852 Base-Backbone interact. energy: -1.094 local terms energy: -680.711451 where: bonds (distance) C4'-P energy: -141.761 bonds (distance) P-C4' energy: -154.152 flat angles C4'-P-C4' energy: -178.961 flat angles P-C4'-P energy: -106.865 tors. eta vs tors. theta energy: -98.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1510.750044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.750044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.750044 (E_RNA) where: Base-Base interactions energy: -864.143 where: short stacking energy: -426.627 Base-Backbone interact. energy: -3.152 local terms energy: -643.454712 where: bonds (distance) C4'-P energy: -162.528 bonds (distance) P-C4' energy: -159.184 flat angles C4'-P-C4' energy: -167.539 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -79.627 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: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1124.281199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.281199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.281199 (E_RNA) where: Base-Base interactions energy: -581.017 where: short stacking energy: -328.545 Base-Backbone interact. energy: -0.134 local terms energy: -543.129885 where: bonds (distance) C4'-P energy: -134.633 bonds (distance) P-C4' energy: -173.065 flat angles C4'-P-C4' energy: -139.189 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -21.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -782.537686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.537686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.537686 (E_RNA) where: Base-Base interactions energy: -327.328 where: short stacking energy: -240.667 Base-Backbone interact. energy: 2.603 local terms energy: -457.812709 where: bonds (distance) C4'-P energy: -120.119 bonds (distance) P-C4' energy: -156.058 flat angles C4'-P-C4' energy: -118.948 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: 3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3105.866843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.866843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.866843 (E_RNA) where: Base-Base interactions energy: -2107.616 where: short stacking energy: -969.020 Base-Backbone interact. energy: -4.389 local terms energy: -993.861706 where: bonds (distance) C4'-P energy: -198.544 bonds (distance) P-C4' energy: -186.773 flat angles C4'-P-C4' energy: -195.102 flat angles P-C4'-P energy: -139.168 tors. eta vs tors. theta energy: -274.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2889.332459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.332459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.332459 (E_RNA) where: Base-Base interactions energy: -1952.638 where: short stacking energy: -862.627 Base-Backbone interact. energy: -4.636 local terms energy: -932.057876 where: bonds (distance) C4'-P energy: -180.362 bonds (distance) P-C4' energy: -166.850 flat angles C4'-P-C4' energy: -211.222 flat angles P-C4'-P energy: -126.128 tors. eta vs tors. theta energy: -247.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2822.304345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.304345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.304345 (E_RNA) where: Base-Base interactions energy: -1893.778 where: short stacking energy: -841.240 Base-Backbone interact. energy: -2.651 local terms energy: -925.876226 where: bonds (distance) C4'-P energy: -180.135 bonds (distance) P-C4' energy: -173.982 flat angles C4'-P-C4' energy: -200.560 flat angles P-C4'-P energy: -130.670 tors. eta vs tors. theta energy: -240.529 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: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2626.910212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.910212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.910212 (E_RNA) where: Base-Base interactions energy: -1764.884 where: short stacking energy: -848.374 Base-Backbone interact. energy: -0.411 local terms energy: -861.615362 where: bonds (distance) C4'-P energy: -142.199 bonds (distance) P-C4' energy: -166.986 flat angles C4'-P-C4' energy: -199.722 flat angles P-C4'-P energy: -117.768 tors. eta vs tors. theta energy: -234.941 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: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2501.956756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.956756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.956756 (E_RNA) where: Base-Base interactions energy: -1652.469 where: short stacking energy: -782.374 Base-Backbone interact. energy: 0.331 local terms energy: -849.818254 where: bonds (distance) C4'-P energy: -162.540 bonds (distance) P-C4' energy: -172.483 flat angles C4'-P-C4' energy: -170.857 flat angles P-C4'-P energy: -124.456 tors. eta vs tors. theta energy: -219.483 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: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2477.651676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.651676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.651676 (E_RNA) where: Base-Base interactions energy: -1676.301 where: short stacking energy: -738.866 Base-Backbone interact. energy: -1.115 local terms energy: -800.235804 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -154.008 flat angles C4'-P-C4' energy: -187.506 flat angles P-C4'-P energy: -112.579 tors. eta vs tors. theta energy: -203.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1879.763724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.763724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.763724 (E_RNA) where: Base-Base interactions energy: -1196.015 where: short stacking energy: -535.075 Base-Backbone interact. energy: -5.293 local terms energy: -678.455944 where: bonds (distance) C4'-P energy: -161.995 bonds (distance) P-C4' energy: -162.692 flat angles C4'-P-C4' energy: -174.614 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: -108.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1505.260857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.260857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.260857 (E_RNA) where: Base-Base interactions energy: -882.701 where: short stacking energy: -418.905 Base-Backbone interact. energy: 1.835 local terms energy: -624.394896 where: bonds (distance) C4'-P energy: -141.298 bonds (distance) P-C4' energy: -178.074 flat angles C4'-P-C4' energy: -132.109 flat angles P-C4'-P energy: -99.805 tors. eta vs tors. theta energy: -73.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1087.623300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.623300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.623300 (E_RNA) where: Base-Base interactions energy: -595.414 where: short stacking energy: -333.777 Base-Backbone interact. energy: -0.712 local terms energy: -491.497439 where: bonds (distance) C4'-P energy: -146.640 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -98.025 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -25.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -746.143187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.143187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.143187 (E_RNA) where: Base-Base interactions energy: -297.168 where: short stacking energy: -196.727 Base-Backbone interact. energy: 3.701 local terms energy: -452.676526 where: bonds (distance) C4'-P energy: -126.646 bonds (distance) P-C4' energy: -168.435 flat angles C4'-P-C4' energy: -135.049 flat angles P-C4'-P energy: -64.693 tors. eta vs tors. theta energy: 42.147 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: 255 Temperature: 0.900000 Total energy: -3111.136776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.136776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.136776 (E_RNA) where: Base-Base interactions energy: -2060.786 where: short stacking energy: -936.230 Base-Backbone interact. energy: -2.078 local terms energy: -1048.273375 where: bonds (distance) C4'-P energy: -192.725 bonds (distance) P-C4' energy: -217.407 flat angles C4'-P-C4' energy: -210.392 flat angles P-C4'-P energy: -150.331 tors. eta vs tors. theta energy: -277.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2893.972494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.972494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.972494 (E_RNA) where: Base-Base interactions energy: -1948.414 where: short stacking energy: -889.740 Base-Backbone interact. energy: -2.300 local terms energy: -943.258052 where: bonds (distance) C4'-P energy: -179.079 bonds (distance) P-C4' energy: -163.432 flat angles C4'-P-C4' energy: -204.171 flat angles P-C4'-P energy: -130.184 tors. eta vs tors. theta energy: -266.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2825.315580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.315580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.315580 (E_RNA) where: Base-Base interactions energy: -1923.936 where: short stacking energy: -868.989 Base-Backbone interact. energy: -3.977 local terms energy: -897.402387 where: bonds (distance) C4'-P energy: -151.150 bonds (distance) P-C4' energy: -173.094 flat angles C4'-P-C4' energy: -188.435 flat angles P-C4'-P energy: -131.687 tors. eta vs tors. theta energy: -253.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2669.459850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.459850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.459850 (E_RNA) where: Base-Base interactions energy: -1760.289 where: short stacking energy: -815.911 Base-Backbone interact. energy: -3.386 local terms energy: -905.785420 where: bonds (distance) C4'-P energy: -165.500 bonds (distance) P-C4' energy: -178.123 flat angles C4'-P-C4' energy: -196.723 flat angles P-C4'-P energy: -125.668 tors. eta vs tors. theta energy: -239.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2426.265148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.265148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.265148 (E_RNA) where: Base-Base interactions energy: -1593.557 where: short stacking energy: -729.667 Base-Backbone interact. energy: -4.316 local terms energy: -828.391581 where: bonds (distance) C4'-P energy: -170.803 bonds (distance) P-C4' energy: -168.059 flat angles C4'-P-C4' energy: -183.833 flat angles P-C4'-P energy: -113.089 tors. eta vs tors. theta energy: -192.608 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: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2424.931224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.931224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.931224 (E_RNA) where: Base-Base interactions energy: -1655.262 where: short stacking energy: -714.550 Base-Backbone interact. energy: -4.434 local terms energy: -765.234835 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -151.116 flat angles C4'-P-C4' energy: -160.279 flat angles P-C4'-P energy: -101.886 tors. eta vs tors. theta energy: -199.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1887.550166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.550166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.550166 (E_RNA) where: Base-Base interactions energy: -1205.883 where: short stacking energy: -550.625 Base-Backbone interact. energy: -3.698 local terms energy: -677.968702 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -152.238 flat angles C4'-P-C4' energy: -151.010 flat angles P-C4'-P energy: -95.514 tors. eta vs tors. theta energy: -116.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1562.493089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.493089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.493089 (E_RNA) where: Base-Base interactions energy: -957.852 where: short stacking energy: -458.720 Base-Backbone interact. energy: -2.525 local terms energy: -602.115487 where: bonds (distance) C4'-P energy: -145.937 bonds (distance) P-C4' energy: -135.644 flat angles C4'-P-C4' energy: -154.110 flat angles P-C4'-P energy: -82.658 tors. eta vs tors. theta energy: -83.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1143.120230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.120230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.120230 (E_RNA) where: Base-Base interactions energy: -590.620 where: short stacking energy: -351.782 Base-Backbone interact. energy: 1.612 local terms energy: -554.111425 where: bonds (distance) C4'-P energy: -138.248 bonds (distance) P-C4' energy: -153.651 flat angles C4'-P-C4' energy: -127.340 flat angles P-C4'-P energy: -95.726 tors. eta vs tors. theta energy: -39.147 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: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -733.143239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.143239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.143239 (E_RNA) where: Base-Base interactions energy: -273.387 where: short stacking energy: -199.161 Base-Backbone interact. energy: -2.837 local terms energy: -456.918827 where: bonds (distance) C4'-P energy: -128.351 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -153.854 flat angles P-C4'-P energy: -70.582 tors. eta vs tors. theta energy: 41.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3092.974788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.974788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.974788 (E_RNA) where: Base-Base interactions energy: -2105.674 where: short stacking energy: -1001.311 Base-Backbone interact. energy: -0.588 local terms energy: -986.713306 where: bonds (distance) C4'-P energy: -182.213 bonds (distance) P-C4' energy: -175.472 flat angles C4'-P-C4' energy: -217.304 flat angles P-C4'-P energy: -137.219 tors. eta vs tors. theta energy: -274.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2895.441777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.441777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.441777 (E_RNA) where: Base-Base interactions energy: -1981.697 where: short stacking energy: -886.713 Base-Backbone interact. energy: -6.175 local terms energy: -907.569562 where: bonds (distance) C4'-P energy: -165.996 bonds (distance) P-C4' energy: -168.837 flat angles C4'-P-C4' energy: -196.521 flat angles P-C4'-P energy: -135.013 tors. eta vs tors. theta energy: -241.203 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: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2809.778419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.778419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.778419 (E_RNA) where: Base-Base interactions energy: -1877.698 where: short stacking energy: -838.089 Base-Backbone interact. energy: -2.787 local terms energy: -929.293195 where: bonds (distance) C4'-P energy: -175.929 bonds (distance) P-C4' energy: -185.513 flat angles C4'-P-C4' energy: -183.918 flat angles P-C4'-P energy: -136.399 tors. eta vs tors. theta energy: -247.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2663.137653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.137653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.137653 (E_RNA) where: Base-Base interactions energy: -1786.699 where: short stacking energy: -815.383 Base-Backbone interact. energy: -2.139 local terms energy: -874.300033 where: bonds (distance) C4'-P energy: -167.691 bonds (distance) P-C4' energy: -162.844 flat angles C4'-P-C4' energy: -196.975 flat angles P-C4'-P energy: -120.545 tors. eta vs tors. theta energy: -226.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2579.817642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.817642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.817642 (E_RNA) where: Base-Base interactions energy: -1782.450 where: short stacking energy: -778.161 Base-Backbone interact. energy: -4.454 local terms energy: -792.914089 where: bonds (distance) C4'-P energy: -138.498 bonds (distance) P-C4' energy: -149.568 flat angles C4'-P-C4' energy: -174.680 flat angles P-C4'-P energy: -125.758 tors. eta vs tors. theta energy: -204.410 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: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2395.087872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.087872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.087872 (E_RNA) where: Base-Base interactions energy: -1605.783 where: short stacking energy: -731.017 Base-Backbone interact. energy: -3.216 local terms energy: -786.088148 where: bonds (distance) C4'-P energy: -149.307 bonds (distance) P-C4' energy: -155.423 flat angles C4'-P-C4' energy: -180.970 flat angles P-C4'-P energy: -112.557 tors. eta vs tors. theta energy: -187.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1898.853089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.853089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.853089 (E_RNA) where: Base-Base interactions energy: -1201.557 where: short stacking energy: -592.047 Base-Backbone interact. energy: 1.221 local terms energy: -698.517729 where: bonds (distance) C4'-P energy: -140.125 bonds (distance) P-C4' energy: -157.948 flat angles C4'-P-C4' energy: -146.742 flat angles P-C4'-P energy: -101.591 tors. eta vs tors. theta energy: -152.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1531.234540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.234540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.234540 (E_RNA) where: Base-Base interactions energy: -945.589 where: short stacking energy: -435.919 Base-Backbone interact. energy: 0.871 local terms energy: -586.515990 where: bonds (distance) C4'-P energy: -161.412 bonds (distance) P-C4' energy: -141.548 flat angles C4'-P-C4' energy: -157.879 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -54.432 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: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1173.891011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.891011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.891011 (E_RNA) where: Base-Base interactions energy: -681.346 where: short stacking energy: -365.614 Base-Backbone interact. energy: -3.276 local terms energy: -489.269229 where: bonds (distance) C4'-P energy: -147.531 bonds (distance) P-C4' energy: -127.831 flat angles C4'-P-C4' energy: -135.693 flat angles P-C4'-P energy: -64.396 tors. eta vs tors. theta energy: -13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -710.315724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.315724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.315724 (E_RNA) where: Base-Base interactions energy: -229.298 where: short stacking energy: -211.706 Base-Backbone interact. energy: 0.347 local terms energy: -481.365631 where: bonds (distance) C4'-P energy: -127.864 bonds (distance) P-C4' energy: -156.587 flat angles C4'-P-C4' energy: -138.775 flat angles P-C4'-P energy: -65.506 tors. eta vs tors. theta energy: 7.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3110.181183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.181183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.181183 (E_RNA) where: Base-Base interactions energy: -2105.164 where: short stacking energy: -952.910 Base-Backbone interact. energy: -1.335 local terms energy: -1003.682215 where: bonds (distance) C4'-P energy: -188.901 bonds (distance) P-C4' energy: -173.901 flat angles C4'-P-C4' energy: -209.216 flat angles P-C4'-P energy: -150.806 tors. eta vs tors. theta energy: -280.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2939.692629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.692629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.692629 (E_RNA) where: Base-Base interactions energy: -1966.152 where: short stacking energy: -901.238 Base-Backbone interact. energy: -4.410 local terms energy: -969.130130 where: bonds (distance) C4'-P energy: -182.224 bonds (distance) P-C4' energy: -176.222 flat angles C4'-P-C4' energy: -218.494 flat angles P-C4'-P energy: -126.236 tors. eta vs tors. theta energy: -265.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2795.222867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.222867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.222867 (E_RNA) where: Base-Base interactions energy: -1893.599 where: short stacking energy: -824.434 Base-Backbone interact. energy: 1.417 local terms energy: -903.040528 where: bonds (distance) C4'-P energy: -180.403 bonds (distance) P-C4' energy: -174.269 flat angles C4'-P-C4' energy: -197.398 flat angles P-C4'-P energy: -136.180 tors. eta vs tors. theta energy: -214.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2709.561658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.561658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.561658 (E_RNA) where: Base-Base interactions energy: -1818.099 where: short stacking energy: -863.284 Base-Backbone interact. energy: -2.749 local terms energy: -888.712899 where: bonds (distance) C4'-P energy: -169.071 bonds (distance) P-C4' energy: -158.404 flat angles C4'-P-C4' energy: -197.170 flat angles P-C4'-P energy: -114.270 tors. eta vs tors. theta energy: -249.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2550.491905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.491905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.491905 (E_RNA) where: Base-Base interactions energy: -1718.837 where: short stacking energy: -754.632 Base-Backbone interact. energy: -3.242 local terms energy: -828.413361 where: bonds (distance) C4'-P energy: -147.407 bonds (distance) P-C4' energy: -171.994 flat angles C4'-P-C4' energy: -185.634 flat angles P-C4'-P energy: -118.623 tors. eta vs tors. theta energy: -204.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2315.105596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.105596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.105596 (E_RNA) where: Base-Base interactions energy: -1539.338 where: short stacking energy: -681.269 Base-Backbone interact. energy: -6.756 local terms energy: -769.012156 where: bonds (distance) C4'-P energy: -145.395 bonds (distance) P-C4' energy: -167.464 flat angles C4'-P-C4' energy: -176.899 flat angles P-C4'-P energy: -117.274 tors. eta vs tors. theta energy: -161.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1965.039983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.039983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.039983 (E_RNA) where: Base-Base interactions energy: -1276.468 where: short stacking energy: -576.603 Base-Backbone interact. energy: -1.406 local terms energy: -687.165301 where: bonds (distance) C4'-P energy: -147.752 bonds (distance) P-C4' energy: -154.906 flat angles C4'-P-C4' energy: -157.484 flat angles P-C4'-P energy: -88.350 tors. eta vs tors. theta energy: -138.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1588.900487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.900487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.900487 (E_RNA) where: Base-Base interactions energy: -957.796 where: short stacking energy: -479.263 Base-Backbone interact. energy: -4.356 local terms energy: -626.749339 where: bonds (distance) C4'-P energy: -151.204 bonds (distance) P-C4' energy: -180.320 flat angles C4'-P-C4' energy: -141.089 flat angles P-C4'-P energy: -94.754 tors. eta vs tors. theta energy: -59.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1110.405892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.405892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.405892 (E_RNA) where: Base-Base interactions energy: -541.665 where: short stacking energy: -298.471 Base-Backbone interact. energy: -2.547 local terms energy: -566.194333 where: bonds (distance) C4'-P energy: -149.442 bonds (distance) P-C4' energy: -146.655 flat angles C4'-P-C4' energy: -165.281 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -17.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -677.321897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.321897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.321897 (E_RNA) where: Base-Base interactions energy: -228.590 where: short stacking energy: -195.610 Base-Backbone interact. energy: 1.341 local terms energy: -450.072237 where: bonds (distance) C4'-P energy: -129.597 bonds (distance) P-C4' energy: -142.176 flat angles C4'-P-C4' energy: -135.156 flat angles P-C4'-P energy: -86.160 tors. eta vs tors. theta energy: 43.017 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: 258 Temperature: 0.900000 Total energy: -3077.790349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.790349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.790349 (E_RNA) where: Base-Base interactions energy: -2066.698 where: short stacking energy: -951.598 Base-Backbone interact. energy: -1.006 local terms energy: -1010.085429 where: bonds (distance) C4'-P energy: -184.158 bonds (distance) P-C4' energy: -198.364 flat angles C4'-P-C4' energy: -203.950 flat angles P-C4'-P energy: -144.966 tors. eta vs tors. theta energy: -278.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2956.372599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.372599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.372599 (E_RNA) where: Base-Base interactions energy: -1981.147 where: short stacking energy: -917.448 Base-Backbone interact. energy: -0.863 local terms energy: -974.362526 where: bonds (distance) C4'-P energy: -183.033 bonds (distance) P-C4' energy: -164.649 flat angles C4'-P-C4' energy: -198.330 flat angles P-C4'-P energy: -146.786 tors. eta vs tors. theta energy: -281.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2786.741421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.741421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.741421 (E_RNA) where: Base-Base interactions energy: -1896.562 where: short stacking energy: -790.113 Base-Backbone interact. energy: -2.726 local terms energy: -887.453285 where: bonds (distance) C4'-P energy: -170.883 bonds (distance) P-C4' energy: -178.274 flat angles C4'-P-C4' energy: -194.948 flat angles P-C4'-P energy: -131.162 tors. eta vs tors. theta energy: -212.186 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: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2616.561967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.561967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.561967 (E_RNA) where: Base-Base interactions energy: -1747.414 where: short stacking energy: -793.677 Base-Backbone interact. energy: -0.427 local terms energy: -868.721677 where: bonds (distance) C4'-P energy: -155.316 bonds (distance) P-C4' energy: -185.831 flat angles C4'-P-C4' energy: -182.679 flat angles P-C4'-P energy: -119.767 tors. eta vs tors. theta energy: -225.129 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: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2652.959950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.959950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.959950 (E_RNA) where: Base-Base interactions energy: -1808.098 where: short stacking energy: -830.050 Base-Backbone interact. energy: -1.446 local terms energy: -843.416002 where: bonds (distance) C4'-P energy: -157.237 bonds (distance) P-C4' energy: -165.114 flat angles C4'-P-C4' energy: -182.960 flat angles P-C4'-P energy: -105.964 tors. eta vs tors. theta energy: -232.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2307.975993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.975993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.975993 (E_RNA) where: Base-Base interactions energy: -1525.507 where: short stacking energy: -674.187 Base-Backbone interact. energy: -6.251 local terms energy: -776.217793 where: bonds (distance) C4'-P energy: -156.771 bonds (distance) P-C4' energy: -152.872 flat angles C4'-P-C4' energy: -190.483 flat angles P-C4'-P energy: -108.635 tors. eta vs tors. theta energy: -167.456 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: 7, replica: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1851.043543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.043543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.043543 (E_RNA) where: Base-Base interactions energy: -1196.078 where: short stacking energy: -548.422 Base-Backbone interact. energy: 3.355 local terms energy: -658.319693 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -167.733 flat angles C4'-P-C4' energy: -146.090 flat angles P-C4'-P energy: -105.209 tors. eta vs tors. theta energy: -115.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1644.425241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.425241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.425241 (E_RNA) where: Base-Base interactions energy: -1014.171 where: short stacking energy: -492.063 Base-Backbone interact. energy: 6.149 local terms energy: -636.402351 where: bonds (distance) C4'-P energy: -143.119 bonds (distance) P-C4' energy: -151.059 flat angles C4'-P-C4' energy: -137.932 flat angles P-C4'-P energy: -108.144 tors. eta vs tors. theta energy: -96.149 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: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1051.967100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.967100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.967100 (E_RNA) where: Base-Base interactions energy: -542.229 where: short stacking energy: -311.352 Base-Backbone interact. energy: -0.854 local terms energy: -508.883528 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -160.769 flat angles C4'-P-C4' energy: -115.238 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -38.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -666.060564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.060564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.060564 (E_RNA) where: Base-Base interactions energy: -223.387 where: short stacking energy: -201.247 Base-Backbone interact. energy: 7.662 local terms energy: -450.335992 where: bonds (distance) C4'-P energy: -138.947 bonds (distance) P-C4' energy: -156.473 flat angles C4'-P-C4' energy: -133.428 flat angles P-C4'-P energy: -68.747 tors. eta vs tors. theta energy: 47.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3100.026000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.026000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.026000 (E_RNA) where: Base-Base interactions energy: -2078.489 where: short stacking energy: -956.347 Base-Backbone interact. energy: -2.461 local terms energy: -1019.076424 where: bonds (distance) C4'-P energy: -187.343 bonds (distance) P-C4' energy: -191.687 flat angles C4'-P-C4' energy: -217.690 flat angles P-C4'-P energy: -145.372 tors. eta vs tors. theta energy: -276.985 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: 259 Temperature: 0.950000 Total energy: -2986.134953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.134953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.134953 (E_RNA) where: Base-Base interactions energy: -2006.720 where: short stacking energy: -895.062 Base-Backbone interact. energy: -2.495 local terms energy: -976.919336 where: bonds (distance) C4'-P energy: -180.764 bonds (distance) P-C4' energy: -176.738 flat angles C4'-P-C4' energy: -210.667 flat angles P-C4'-P energy: -137.882 tors. eta vs tors. theta energy: -270.868 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: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2804.855066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.855066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.855066 (E_RNA) where: Base-Base interactions energy: -1886.675 where: short stacking energy: -846.217 Base-Backbone interact. energy: -2.767 local terms energy: -915.412856 where: bonds (distance) C4'-P energy: -167.883 bonds (distance) P-C4' energy: -183.453 flat angles C4'-P-C4' energy: -206.965 flat angles P-C4'-P energy: -118.895 tors. eta vs tors. theta energy: -238.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2718.539688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.539688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.539688 (E_RNA) where: Base-Base interactions energy: -1821.465 where: short stacking energy: -829.453 Base-Backbone interact. energy: -3.537 local terms energy: -893.537899 where: bonds (distance) C4'-P energy: -160.023 bonds (distance) P-C4' energy: -167.990 flat angles C4'-P-C4' energy: -198.499 flat angles P-C4'-P energy: -122.887 tors. eta vs tors. theta energy: -244.138 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: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2539.395241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.395241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.395241 (E_RNA) where: Base-Base interactions energy: -1657.256 where: short stacking energy: -777.914 Base-Backbone interact. energy: -4.971 local terms energy: -877.168663 where: bonds (distance) C4'-P energy: -172.437 bonds (distance) P-C4' energy: -167.863 flat angles C4'-P-C4' energy: -178.776 flat angles P-C4'-P energy: -126.787 tors. eta vs tors. theta energy: -231.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2345.482521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.482521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.482521 (E_RNA) where: Base-Base interactions energy: -1578.691 where: short stacking energy: -683.481 Base-Backbone interact. energy: -4.481 local terms energy: -762.310476 where: bonds (distance) C4'-P energy: -153.301 bonds (distance) P-C4' energy: -170.231 flat angles C4'-P-C4' energy: -162.634 flat angles P-C4'-P energy: -98.705 tors. eta vs tors. theta energy: -177.440 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: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1903.393574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.393574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.393574 (E_RNA) where: Base-Base interactions energy: -1211.827 where: short stacking energy: -563.581 Base-Backbone interact. energy: -2.591 local terms energy: -688.975344 where: bonds (distance) C4'-P energy: -140.053 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -152.739 flat angles P-C4'-P energy: -116.601 tors. eta vs tors. theta energy: -129.886 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: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1597.397202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.397202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.397202 (E_RNA) where: Base-Base interactions energy: -990.332 where: short stacking energy: -474.373 Base-Backbone interact. energy: -3.084 local terms energy: -603.981483 where: bonds (distance) C4'-P energy: -158.165 bonds (distance) P-C4' energy: -158.990 flat angles C4'-P-C4' energy: -146.945 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -74.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1131.744654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.744654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.744654 (E_RNA) where: Base-Base interactions energy: -612.609 where: short stacking energy: -331.511 Base-Backbone interact. energy: 1.260 local terms energy: -520.395693 where: bonds (distance) C4'-P energy: -130.603 bonds (distance) P-C4' energy: -152.702 flat angles C4'-P-C4' energy: -132.510 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -34.313 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -707.492144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.492144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.492144 (E_RNA) where: Base-Base interactions energy: -282.501 where: short stacking energy: -209.698 Base-Backbone interact. energy: 2.740 local terms energy: -427.730876 where: bonds (distance) C4'-P energy: -159.555 bonds (distance) P-C4' energy: -153.802 flat angles C4'-P-C4' energy: -93.520 flat angles P-C4'-P energy: -47.646 tors. eta vs tors. theta energy: 26.792 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: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3080.608650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.608650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.608650 (E_RNA) where: Base-Base interactions energy: -2062.601 where: short stacking energy: -964.928 Base-Backbone interact. energy: -3.314 local terms energy: -1014.693848 where: bonds (distance) C4'-P energy: -184.047 bonds (distance) P-C4' energy: -196.314 flat angles C4'-P-C4' energy: -207.017 flat angles P-C4'-P energy: -149.948 tors. eta vs tors. theta energy: -277.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2919.112834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.112834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.112834 (E_RNA) where: Base-Base interactions energy: -1990.090 where: short stacking energy: -896.295 Base-Backbone interact. energy: -3.384 local terms energy: -925.638483 where: bonds (distance) C4'-P energy: -167.091 bonds (distance) P-C4' energy: -170.139 flat angles C4'-P-C4' energy: -197.681 flat angles P-C4'-P energy: -116.423 tors. eta vs tors. theta energy: -274.305 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: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2801.159877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.159877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.159877 (E_RNA) where: Base-Base interactions energy: -1908.790 where: short stacking energy: -859.808 Base-Backbone interact. energy: -5.641 local terms energy: -886.728843 where: bonds (distance) C4'-P energy: -176.992 bonds (distance) P-C4' energy: -160.314 flat angles C4'-P-C4' energy: -189.579 flat angles P-C4'-P energy: -131.341 tors. eta vs tors. theta energy: -228.504 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2716.243703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.243703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.243703 (E_RNA) where: Base-Base interactions energy: -1803.684 where: short stacking energy: -820.395 Base-Backbone interact. energy: -1.250 local terms energy: -911.309763 where: bonds (distance) C4'-P energy: -168.985 bonds (distance) P-C4' energy: -154.687 flat angles C4'-P-C4' energy: -194.696 flat angles P-C4'-P energy: -141.034 tors. eta vs tors. theta energy: -251.908 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: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2613.501843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.501843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.501843 (E_RNA) where: Base-Base interactions energy: -1749.028 where: short stacking energy: -813.526 Base-Backbone interact. energy: 5.780 local terms energy: -870.253528 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -158.074 flat angles C4'-P-C4' energy: -189.981 flat angles P-C4'-P energy: -148.077 tors. eta vs tors. theta energy: -226.438 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2352.308400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.308400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.308400 (E_RNA) where: Base-Base interactions energy: -1529.965 where: short stacking energy: -717.875 Base-Backbone interact. energy: -3.221 local terms energy: -819.122051 where: bonds (distance) C4'-P energy: -149.271 bonds (distance) P-C4' energy: -168.536 flat angles C4'-P-C4' energy: -188.952 flat angles P-C4'-P energy: -124.668 tors. eta vs tors. theta energy: -187.695 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: 260 Temperature: 1.200000 Total energy: -1865.523459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.523459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.523459 (E_RNA) where: Base-Base interactions energy: -1171.926 where: short stacking energy: -574.816 Base-Backbone interact. energy: -1.651 local terms energy: -691.946803 where: bonds (distance) C4'-P energy: -150.622 bonds (distance) P-C4' energy: -151.901 flat angles C4'-P-C4' energy: -150.271 flat angles P-C4'-P energy: -107.435 tors. eta vs tors. theta energy: -131.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1692.845148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.845148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.845148 (E_RNA) where: Base-Base interactions energy: -1037.322 where: short stacking energy: -495.517 Base-Backbone interact. energy: -2.005 local terms energy: -653.517733 where: bonds (distance) C4'-P energy: -154.026 bonds (distance) P-C4' energy: -132.519 flat angles C4'-P-C4' energy: -154.408 flat angles P-C4'-P energy: -102.795 tors. eta vs tors. theta energy: -109.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1171.020986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.020986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.020986 (E_RNA) where: Base-Base interactions energy: -676.628 where: short stacking energy: -350.220 Base-Backbone interact. energy: -0.646 local terms energy: -493.746373 where: bonds (distance) C4'-P energy: -149.159 bonds (distance) P-C4' energy: -133.712 flat angles C4'-P-C4' energy: -124.491 flat angles P-C4'-P energy: -70.426 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -748.905106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.905106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.905106 (E_RNA) where: Base-Base interactions energy: -310.112 where: short stacking energy: -195.289 Base-Backbone interact. energy: -2.204 local terms energy: -436.589237 where: bonds (distance) C4'-P energy: -115.190 bonds (distance) P-C4' energy: -148.099 flat angles C4'-P-C4' energy: -129.994 flat angles P-C4'-P energy: -88.340 tors. eta vs tors. theta energy: 45.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3097.487287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.487287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.487287 (E_RNA) where: Base-Base interactions energy: -2078.395 where: short stacking energy: -985.337 Base-Backbone interact. energy: -2.985 local terms energy: -1016.107454 where: bonds (distance) C4'-P energy: -162.280 bonds (distance) P-C4' energy: -191.140 flat angles C4'-P-C4' energy: -229.509 flat angles P-C4'-P energy: -146.221 tors. eta vs tors. theta energy: -286.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2923.320843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.320843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.320843 (E_RNA) where: Base-Base interactions energy: -1984.232 where: short stacking energy: -887.687 Base-Backbone interact. energy: -2.990 local terms energy: -936.098903 where: bonds (distance) C4'-P energy: -160.989 bonds (distance) P-C4' energy: -161.176 flat angles C4'-P-C4' energy: -222.213 flat angles P-C4'-P energy: -134.916 tors. eta vs tors. theta energy: -256.806 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: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2784.100645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.100645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.100645 (E_RNA) where: Base-Base interactions energy: -1862.441 where: short stacking energy: -842.858 Base-Backbone interact. energy: -4.119 local terms energy: -917.540390 where: bonds (distance) C4'-P energy: -177.679 bonds (distance) P-C4' energy: -189.628 flat angles C4'-P-C4' energy: -205.718 flat angles P-C4'-P energy: -115.212 tors. eta vs tors. theta energy: -229.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2728.259676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.259676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.259676 (E_RNA) where: Base-Base interactions energy: -1849.643 where: short stacking energy: -826.364 Base-Backbone interact. energy: -3.204 local terms energy: -875.412502 where: bonds (distance) C4'-P energy: -150.417 bonds (distance) P-C4' energy: -165.572 flat angles C4'-P-C4' energy: -186.179 flat angles P-C4'-P energy: -133.003 tors. eta vs tors. theta energy: -240.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2594.151386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.151386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.151386 (E_RNA) where: Base-Base interactions energy: -1729.382 where: short stacking energy: -801.725 Base-Backbone interact. energy: -1.484 local terms energy: -863.285792 where: bonds (distance) C4'-P energy: -162.528 bonds (distance) P-C4' energy: -170.320 flat angles C4'-P-C4' energy: -173.042 flat angles P-C4'-P energy: -133.922 tors. eta vs tors. theta energy: -223.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2319.398717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.398717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.398717 (E_RNA) where: Base-Base interactions energy: -1584.355 where: short stacking energy: -702.412 Base-Backbone interact. energy: 0.641 local terms energy: -735.685399 where: bonds (distance) C4'-P energy: -152.052 bonds (distance) P-C4' energy: -167.747 flat angles C4'-P-C4' energy: -160.397 flat angles P-C4'-P energy: -90.799 tors. eta vs tors. theta energy: -164.691 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: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1901.963240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.963240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.963240 (E_RNA) where: Base-Base interactions energy: -1180.892 where: short stacking energy: -570.776 Base-Backbone interact. energy: -1.540 local terms energy: -719.530954 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -171.567 flat angles C4'-P-C4' energy: -174.798 flat angles P-C4'-P energy: -103.037 tors. eta vs tors. theta energy: -125.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1645.368405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.368405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.368405 (E_RNA) where: Base-Base interactions energy: -1049.233 where: short stacking energy: -490.420 Base-Backbone interact. energy: 8.098 local terms energy: -604.233544 where: bonds (distance) C4'-P energy: -137.527 bonds (distance) P-C4' energy: -125.375 flat angles C4'-P-C4' energy: -160.094 flat angles P-C4'-P energy: -90.277 tors. eta vs tors. theta energy: -90.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1072.081711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.081711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.081711 (E_RNA) where: Base-Base interactions energy: -552.435 where: short stacking energy: -324.867 Base-Backbone interact. energy: 5.302 local terms energy: -524.948463 where: bonds (distance) C4'-P energy: -147.313 bonds (distance) P-C4' energy: -144.530 flat angles C4'-P-C4' energy: -134.317 flat angles P-C4'-P energy: -87.371 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -811.217058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.217058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.217058 (E_RNA) where: Base-Base interactions energy: -378.693 where: short stacking energy: -240.391 Base-Backbone interact. energy: 0.692 local terms energy: -433.216582 where: bonds (distance) C4'-P energy: -137.702 bonds (distance) P-C4' energy: -138.028 flat angles C4'-P-C4' energy: -110.497 flat angles P-C4'-P energy: -74.599 tors. eta vs tors. theta energy: 27.610 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: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3114.781410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.781410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.781410 (E_RNA) where: Base-Base interactions energy: -2104.277 where: short stacking energy: -997.622 Base-Backbone interact. energy: -1.278 local terms energy: -1009.226522 where: bonds (distance) C4'-P energy: -194.795 bonds (distance) P-C4' energy: -177.710 flat angles C4'-P-C4' energy: -208.809 flat angles P-C4'-P energy: -139.814 tors. eta vs tors. theta energy: -288.099 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: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2934.415499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.415499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.415499 (E_RNA) where: Base-Base interactions energy: -2001.081 where: short stacking energy: -887.029 Base-Backbone interact. energy: -5.288 local terms energy: -928.046529 where: bonds (distance) C4'-P energy: -165.556 bonds (distance) P-C4' energy: -173.098 flat angles C4'-P-C4' energy: -202.743 flat angles P-C4'-P energy: -134.713 tors. eta vs tors. theta energy: -251.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2830.508546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.508546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.508546 (E_RNA) where: Base-Base interactions energy: -1906.643 where: short stacking energy: -845.101 Base-Backbone interact. energy: -5.785 local terms energy: -918.080557 where: bonds (distance) C4'-P energy: -172.874 bonds (distance) P-C4' energy: -182.030 flat angles C4'-P-C4' energy: -199.298 flat angles P-C4'-P energy: -128.106 tors. eta vs tors. theta energy: -235.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2713.346475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.346475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.346475 (E_RNA) where: Base-Base interactions energy: -1816.989 where: short stacking energy: -819.203 Base-Backbone interact. energy: -4.413 local terms energy: -891.944513 where: bonds (distance) C4'-P energy: -182.731 bonds (distance) P-C4' energy: -168.688 flat angles C4'-P-C4' energy: -188.810 flat angles P-C4'-P energy: -125.088 tors. eta vs tors. theta energy: -226.628 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: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2564.484747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.484747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.484747 (E_RNA) where: Base-Base interactions energy: -1717.468 where: short stacking energy: -809.448 Base-Backbone interact. energy: -6.348 local terms energy: -840.669394 where: bonds (distance) C4'-P energy: -163.735 bonds (distance) P-C4' energy: -150.138 flat angles C4'-P-C4' energy: -180.020 flat angles P-C4'-P energy: -116.840 tors. eta vs tors. theta energy: -229.936 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: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2298.684034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.684034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.684034 (E_RNA) where: Base-Base interactions energy: -1538.001 where: short stacking energy: -689.161 Base-Backbone interact. energy: 6.737 local terms energy: -767.420039 where: bonds (distance) C4'-P energy: -156.586 bonds (distance) P-C4' energy: -152.196 flat angles C4'-P-C4' energy: -180.033 flat angles P-C4'-P energy: -110.037 tors. eta vs tors. theta energy: -168.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1869.003487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.003487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.003487 (E_RNA) where: Base-Base interactions energy: -1212.055 where: short stacking energy: -595.907 Base-Backbone interact. energy: 2.407 local terms energy: -659.355371 where: bonds (distance) C4'-P energy: -142.050 bonds (distance) P-C4' energy: -131.201 flat angles C4'-P-C4' energy: -158.203 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -140.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1627.412075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.412075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.412075 (E_RNA) where: Base-Base interactions energy: -1016.779 where: short stacking energy: -488.548 Base-Backbone interact. energy: 2.881 local terms energy: -613.513934 where: bonds (distance) C4'-P energy: -137.301 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -161.806 flat angles P-C4'-P energy: -83.945 tors. eta vs tors. theta energy: -91.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1053.972963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.972963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.972963 (E_RNA) where: Base-Base interactions energy: -513.106 where: short stacking energy: -246.794 Base-Backbone interact. energy: -1.126 local terms energy: -539.740615 where: bonds (distance) C4'-P energy: -126.125 bonds (distance) P-C4' energy: -178.622 flat angles C4'-P-C4' energy: -146.673 flat angles P-C4'-P energy: -82.791 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -673.364806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.364806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.364806 (E_RNA) where: Base-Base interactions energy: -208.475 where: short stacking energy: -150.893 Base-Backbone interact. energy: 7.220 local terms energy: -472.109501 where: bonds (distance) C4'-P energy: -155.800 bonds (distance) P-C4' energy: -146.099 flat angles C4'-P-C4' energy: -142.574 flat angles P-C4'-P energy: -77.590 tors. eta vs tors. theta energy: 49.954 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: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3101.370254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.370254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.370254 (E_RNA) where: Base-Base interactions energy: -2107.582 where: short stacking energy: -980.978 Base-Backbone interact. energy: -3.030 local terms energy: -990.758606 where: bonds (distance) C4'-P energy: -179.411 bonds (distance) P-C4' energy: -184.016 flat angles C4'-P-C4' energy: -207.658 flat angles P-C4'-P energy: -142.807 tors. eta vs tors. theta energy: -276.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2932.379856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.379856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.379856 (E_RNA) where: Base-Base interactions energy: -1999.562 where: short stacking energy: -898.399 Base-Backbone interact. energy: 0.036 local terms energy: -932.854132 where: bonds (distance) C4'-P energy: -165.036 bonds (distance) P-C4' energy: -175.265 flat angles C4'-P-C4' energy: -203.778 flat angles P-C4'-P energy: -131.839 tors. eta vs tors. theta energy: -256.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2864.542584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.542584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.542584 (E_RNA) where: Base-Base interactions energy: -1882.031 where: short stacking energy: -903.936 Base-Backbone interact. energy: -1.490 local terms energy: -981.021032 where: bonds (distance) C4'-P energy: -187.896 bonds (distance) P-C4' energy: -189.334 flat angles C4'-P-C4' energy: -200.572 flat angles P-C4'-P energy: -139.830 tors. eta vs tors. theta energy: -263.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2722.942243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.942243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.942243 (E_RNA) where: Base-Base interactions energy: -1833.667 where: short stacking energy: -822.713 Base-Backbone interact. energy: -0.631 local terms energy: -888.644055 where: bonds (distance) C4'-P energy: -166.238 bonds (distance) P-C4' energy: -176.540 flat angles C4'-P-C4' energy: -194.941 flat angles P-C4'-P energy: -124.739 tors. eta vs tors. theta energy: -226.185 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: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2530.719696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.719696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.719696 (E_RNA) where: Base-Base interactions energy: -1690.999 where: short stacking energy: -780.356 Base-Backbone interact. energy: -0.327 local terms energy: -839.394025 where: bonds (distance) C4'-P energy: -138.893 bonds (distance) P-C4' energy: -166.574 flat angles C4'-P-C4' energy: -190.649 flat angles P-C4'-P energy: -116.602 tors. eta vs tors. theta energy: -226.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2289.067473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.067473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.067473 (E_RNA) where: Base-Base interactions energy: -1544.999 where: short stacking energy: -676.188 Base-Backbone interact. energy: -7.056 local terms energy: -737.012763 where: bonds (distance) C4'-P energy: -151.850 bonds (distance) P-C4' energy: -148.977 flat angles C4'-P-C4' energy: -156.790 flat angles P-C4'-P energy: -115.946 tors. eta vs tors. theta energy: -163.450 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: 263 Temperature: 1.200000 Total energy: -1920.130590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.130590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.130590 (E_RNA) where: Base-Base interactions energy: -1213.226 where: short stacking energy: -568.508 Base-Backbone interact. energy: -5.654 local terms energy: -701.250120 where: bonds (distance) C4'-P energy: -154.008 bonds (distance) P-C4' energy: -155.742 flat angles C4'-P-C4' energy: -132.533 flat angles P-C4'-P energy: -117.347 tors. eta vs tors. theta energy: -141.619 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: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1669.624836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.624836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.624836 (E_RNA) where: Base-Base interactions energy: -1042.751 where: short stacking energy: -497.656 Base-Backbone interact. energy: -0.826 local terms energy: -626.048638 where: bonds (distance) C4'-P energy: -151.371 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -136.404 flat angles P-C4'-P energy: -101.385 tors. eta vs tors. theta energy: -101.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -975.581977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.581977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.581977 (E_RNA) where: Base-Base interactions energy: -452.125 where: short stacking energy: -266.462 Base-Backbone interact. energy: 8.929 local terms energy: -532.385996 where: bonds (distance) C4'-P energy: -148.075 bonds (distance) P-C4' energy: -148.138 flat angles C4'-P-C4' energy: -129.363 flat angles P-C4'-P energy: -89.338 tors. eta vs tors. theta energy: -17.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -667.776079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.776079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.776079 (E_RNA) where: Base-Base interactions energy: -248.256 where: short stacking energy: -186.584 Base-Backbone interact. energy: 2.878 local terms energy: -422.398498 where: bonds (distance) C4'-P energy: -121.465 bonds (distance) P-C4' energy: -154.746 flat angles C4'-P-C4' energy: -120.210 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: 30.322 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: 264 Temperature: 0.900000 Total energy: -3102.528964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.528964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.528964 (E_RNA) where: Base-Base interactions energy: -2093.353 where: short stacking energy: -941.794 Base-Backbone interact. energy: -0.591 local terms energy: -1008.584249 where: bonds (distance) C4'-P energy: -177.047 bonds (distance) P-C4' energy: -184.646 flat angles C4'-P-C4' energy: -217.215 flat angles P-C4'-P energy: -138.017 tors. eta vs tors. theta energy: -291.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2956.432956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.432956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.432956 (E_RNA) where: Base-Base interactions energy: -1984.588 where: short stacking energy: -894.508 Base-Backbone interact. energy: -4.685 local terms energy: -967.159576 where: bonds (distance) C4'-P energy: -186.760 bonds (distance) P-C4' energy: -172.527 flat angles C4'-P-C4' energy: -202.021 flat angles P-C4'-P energy: -128.780 tors. eta vs tors. theta energy: -277.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2826.437942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.437942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.437942 (E_RNA) where: Base-Base interactions energy: -1914.776 where: short stacking energy: -868.417 Base-Backbone interact. energy: 0.568 local terms energy: -912.230505 where: bonds (distance) C4'-P energy: -160.083 bonds (distance) P-C4' energy: -184.932 flat angles C4'-P-C4' energy: -192.774 flat angles P-C4'-P energy: -127.794 tors. eta vs tors. theta energy: -246.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2702.599301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.599301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.599301 (E_RNA) where: Base-Base interactions energy: -1803.547 where: short stacking energy: -781.244 Base-Backbone interact. energy: -0.064 local terms energy: -898.988231 where: bonds (distance) C4'-P energy: -180.980 bonds (distance) P-C4' energy: -183.949 flat angles C4'-P-C4' energy: -186.940 flat angles P-C4'-P energy: -124.335 tors. eta vs tors. theta energy: -222.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2511.649273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.649273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.649273 (E_RNA) where: Base-Base interactions energy: -1694.254 where: short stacking energy: -772.189 Base-Backbone interact. energy: 1.003 local terms energy: -818.398500 where: bonds (distance) C4'-P energy: -150.820 bonds (distance) P-C4' energy: -154.950 flat angles C4'-P-C4' energy: -176.566 flat angles P-C4'-P energy: -119.417 tors. eta vs tors. theta energy: -216.645 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: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2343.461239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.461239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.461239 (E_RNA) where: Base-Base interactions energy: -1530.564 where: short stacking energy: -698.301 Base-Backbone interact. energy: -4.657 local terms energy: -808.240064 where: bonds (distance) C4'-P energy: -157.444 bonds (distance) P-C4' energy: -162.224 flat angles C4'-P-C4' energy: -180.064 flat angles P-C4'-P energy: -133.239 tors. eta vs tors. theta energy: -175.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1861.564516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.564516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.564516 (E_RNA) where: Base-Base interactions energy: -1160.516 where: short stacking energy: -575.293 Base-Backbone interact. energy: 6.074 local terms energy: -707.121935 where: bonds (distance) C4'-P energy: -161.217 bonds (distance) P-C4' energy: -174.949 flat angles C4'-P-C4' energy: -143.581 flat angles P-C4'-P energy: -94.043 tors. eta vs tors. theta energy: -133.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1765.084592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.084592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.084592 (E_RNA) where: Base-Base interactions energy: -1108.667 where: short stacking energy: -528.561 Base-Backbone interact. energy: -2.066 local terms energy: -654.350974 where: bonds (distance) C4'-P energy: -149.912 bonds (distance) P-C4' energy: -165.131 flat angles C4'-P-C4' energy: -149.499 flat angles P-C4'-P energy: -86.800 tors. eta vs tors. theta energy: -103.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1016.900887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.900887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.900887 (E_RNA) where: Base-Base interactions energy: -505.871 where: short stacking energy: -315.351 Base-Backbone interact. energy: 2.874 local terms energy: -513.903886 where: bonds (distance) C4'-P energy: -148.317 bonds (distance) P-C4' energy: -158.014 flat angles C4'-P-C4' energy: -139.961 flat angles P-C4'-P energy: -65.428 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: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -658.802711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.802711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.802711 (E_RNA) where: Base-Base interactions energy: -200.470 where: short stacking energy: -168.145 Base-Backbone interact. energy: 2.244 local terms energy: -460.576630 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -151.489 flat angles C4'-P-C4' energy: -121.935 flat angles P-C4'-P energy: -93.058 tors. eta vs tors. theta energy: 35.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3108.080098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.080098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.080098 (E_RNA) where: Base-Base interactions energy: -2097.030 where: short stacking energy: -963.864 Base-Backbone interact. energy: -1.868 local terms energy: -1009.182065 where: bonds (distance) C4'-P energy: -188.724 bonds (distance) P-C4' energy: -179.659 flat angles C4'-P-C4' energy: -211.170 flat angles P-C4'-P energy: -145.041 tors. eta vs tors. theta energy: -284.588 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: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2966.722496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.722496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.722496 (E_RNA) where: Base-Base interactions energy: -1958.153 where: short stacking energy: -893.595 Base-Backbone interact. energy: -4.386 local terms energy: -1004.182836 where: bonds (distance) C4'-P energy: -189.354 bonds (distance) P-C4' energy: -183.805 flat angles C4'-P-C4' energy: -206.524 flat angles P-C4'-P energy: -144.539 tors. eta vs tors. theta energy: -279.961 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: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2830.140847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.140847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.140847 (E_RNA) where: Base-Base interactions energy: -1884.851 where: short stacking energy: -845.521 Base-Backbone interact. energy: -3.358 local terms energy: -941.931592 where: bonds (distance) C4'-P energy: -173.406 bonds (distance) P-C4' energy: -182.556 flat angles C4'-P-C4' energy: -206.569 flat angles P-C4'-P energy: -134.197 tors. eta vs tors. theta energy: -245.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2742.347709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.347709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.347709 (E_RNA) where: Base-Base interactions energy: -1879.682 where: short stacking energy: -808.918 Base-Backbone interact. energy: 0.113 local terms energy: -862.778581 where: bonds (distance) C4'-P energy: -162.327 bonds (distance) P-C4' energy: -174.839 flat angles C4'-P-C4' energy: -187.456 flat angles P-C4'-P energy: -123.717 tors. eta vs tors. theta energy: -214.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2483.284249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.284249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.284249 (E_RNA) where: Base-Base interactions energy: -1650.499 where: short stacking energy: -772.726 Base-Backbone interact. energy: 3.133 local terms energy: -835.918340 where: bonds (distance) C4'-P energy: -158.102 bonds (distance) P-C4' energy: -191.824 flat angles C4'-P-C4' energy: -166.187 flat angles P-C4'-P energy: -107.010 tors. eta vs tors. theta energy: -212.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2362.562149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.562149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.562149 (E_RNA) where: Base-Base interactions energy: -1564.991 where: short stacking energy: -725.079 Base-Backbone interact. energy: 0.689 local terms energy: -798.260497 where: bonds (distance) C4'-P energy: -161.534 bonds (distance) P-C4' energy: -157.337 flat angles C4'-P-C4' energy: -178.212 flat angles P-C4'-P energy: -119.985 tors. eta vs tors. theta energy: -181.193 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1847.397917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.397917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.397917 (E_RNA) where: Base-Base interactions energy: -1171.357 where: short stacking energy: -542.281 Base-Backbone interact. energy: 3.106 local terms energy: -679.146685 where: bonds (distance) C4'-P energy: -152.186 bonds (distance) P-C4' energy: -147.684 flat angles C4'-P-C4' energy: -171.824 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -111.364 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: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1743.380266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.380266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.380266 (E_RNA) where: Base-Base interactions energy: -1092.170 where: short stacking energy: -515.362 Base-Backbone interact. energy: -3.301 local terms energy: -647.909456 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -147.132 flat angles P-C4'-P energy: -85.539 tors. eta vs tors. theta energy: -113.111 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -972.282092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.282092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.282092 (E_RNA) where: Base-Base interactions energy: -465.300 where: short stacking energy: -269.658 Base-Backbone interact. energy: 2.338 local terms energy: -509.320464 where: bonds (distance) C4'-P energy: -163.242 bonds (distance) P-C4' energy: -156.736 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -63.520 tors. eta vs tors. theta energy: 9.290 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: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -748.711128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.711128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.711128 (E_RNA) where: Base-Base interactions energy: -320.504 where: short stacking energy: -197.251 Base-Backbone interact. energy: -3.834 local terms energy: -424.373025 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -151.526 flat angles C4'-P-C4' energy: -124.798 flat angles P-C4'-P energy: -61.100 tors. eta vs tors. theta energy: 30.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3098.902413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.902413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.902413 (E_RNA) where: Base-Base interactions energy: -2103.546 where: short stacking energy: -954.920 Base-Backbone interact. energy: -5.697 local terms energy: -989.660175 where: bonds (distance) C4'-P energy: -172.199 bonds (distance) P-C4' energy: -178.695 flat angles C4'-P-C4' energy: -213.109 flat angles P-C4'-P energy: -143.746 tors. eta vs tors. theta energy: -281.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2968.835301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.835301 (E_RNA) where: Base-Base interactions energy: -2000.982 where: short stacking energy: -894.466 Base-Backbone interact. energy: -3.435 local terms energy: -964.417952 where: bonds (distance) C4'-P energy: -174.294 bonds (distance) P-C4' energy: -199.374 flat angles C4'-P-C4' energy: -194.922 flat angles P-C4'-P energy: -126.950 tors. eta vs tors. theta energy: -268.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2810.947883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.947883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.947883 (E_RNA) where: Base-Base interactions energy: -1897.220 where: short stacking energy: -905.821 Base-Backbone interact. energy: -2.455 local terms energy: -911.273198 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -162.291 flat angles C4'-P-C4' energy: -202.890 flat angles P-C4'-P energy: -144.583 tors. eta vs tors. theta energy: -249.663 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: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2690.019344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.019344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.019344 (E_RNA) where: Base-Base interactions energy: -1842.365 where: short stacking energy: -794.204 Base-Backbone interact. energy: -4.004 local terms energy: -843.651057 where: bonds (distance) C4'-P energy: -177.498 bonds (distance) P-C4' energy: -162.623 flat angles C4'-P-C4' energy: -183.551 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -208.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2480.784223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.784223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.784223 (E_RNA) where: Base-Base interactions energy: -1657.094 where: short stacking energy: -757.301 Base-Backbone interact. energy: 2.379 local terms energy: -826.069122 where: bonds (distance) C4'-P energy: -162.275 bonds (distance) P-C4' energy: -155.149 flat angles C4'-P-C4' energy: -191.631 flat angles P-C4'-P energy: -108.927 tors. eta vs tors. theta energy: -208.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2351.309514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.309514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.309514 (E_RNA) where: Base-Base interactions energy: -1570.433 where: short stacking energy: -712.528 Base-Backbone interact. energy: -1.534 local terms energy: -779.342400 where: bonds (distance) C4'-P energy: -165.052 bonds (distance) P-C4' energy: -161.730 flat angles C4'-P-C4' energy: -158.072 flat angles P-C4'-P energy: -112.072 tors. eta vs tors. theta energy: -182.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1851.685955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.685955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.685955 (E_RNA) where: Base-Base interactions energy: -1137.298 where: short stacking energy: -560.625 Base-Backbone interact. energy: -0.210 local terms energy: -714.177373 where: bonds (distance) C4'-P energy: -152.454 bonds (distance) P-C4' energy: -165.372 flat angles C4'-P-C4' energy: -166.457 flat angles P-C4'-P energy: -93.022 tors. eta vs tors. theta energy: -136.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1726.295224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.295224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.295224 (E_RNA) where: Base-Base interactions energy: -1099.474 where: short stacking energy: -510.616 Base-Backbone interact. energy: -3.252 local terms energy: -623.569077 where: bonds (distance) C4'-P energy: -136.604 bonds (distance) P-C4' energy: -153.644 flat angles C4'-P-C4' energy: -139.367 flat angles P-C4'-P energy: -97.059 tors. eta vs tors. theta energy: -96.896 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: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1027.319503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.319503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.319503 (E_RNA) where: Base-Base interactions energy: -548.846 where: short stacking energy: -286.222 Base-Backbone interact. energy: 6.037 local terms energy: -484.509564 where: bonds (distance) C4'-P energy: -141.193 bonds (distance) P-C4' energy: -138.241 flat angles C4'-P-C4' energy: -136.349 flat angles P-C4'-P energy: -69.314 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -743.984337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.984337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.984337 (E_RNA) where: Base-Base interactions energy: -279.337 where: short stacking energy: -184.155 Base-Backbone interact. energy: -3.898 local terms energy: -460.748773 where: bonds (distance) C4'-P energy: -169.555 bonds (distance) P-C4' energy: -141.729 flat angles C4'-P-C4' energy: -120.506 flat angles P-C4'-P energy: -87.067 tors. eta vs tors. theta energy: 58.109 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: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3088.967776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.967776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.967776 (E_RNA) where: Base-Base interactions energy: -2088.965 where: short stacking energy: -962.307 Base-Backbone interact. energy: -1.248 local terms energy: -998.754390 where: bonds (distance) C4'-P energy: -180.630 bonds (distance) P-C4' energy: -185.427 flat angles C4'-P-C4' energy: -210.482 flat angles P-C4'-P energy: -136.210 tors. eta vs tors. theta energy: -286.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -3010.086105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.086105 (E_RNA) where: Base-Base interactions energy: -2040.371 where: short stacking energy: -925.706 Base-Backbone interact. energy: -5.382 local terms energy: -964.333120 where: bonds (distance) C4'-P energy: -175.028 bonds (distance) P-C4' energy: -173.022 flat angles C4'-P-C4' energy: -205.704 flat angles P-C4'-P energy: -125.145 tors. eta vs tors. theta energy: -285.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2810.690178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.690178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.690178 (E_RNA) where: Base-Base interactions energy: -1880.081 where: short stacking energy: -873.715 Base-Backbone interact. energy: -2.313 local terms energy: -928.295591 where: bonds (distance) C4'-P energy: -170.208 bonds (distance) P-C4' energy: -175.200 flat angles C4'-P-C4' energy: -193.615 flat angles P-C4'-P energy: -139.156 tors. eta vs tors. theta energy: -250.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2704.386595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.386595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.386595 (E_RNA) where: Base-Base interactions energy: -1832.390 where: short stacking energy: -825.361 Base-Backbone interact. energy: 3.655 local terms energy: -875.651508 where: bonds (distance) C4'-P energy: -170.812 bonds (distance) P-C4' energy: -166.919 flat angles C4'-P-C4' energy: -191.842 flat angles P-C4'-P energy: -127.011 tors. eta vs tors. theta energy: -219.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2464.148673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.148673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.148673 (E_RNA) where: Base-Base interactions energy: -1623.996 where: short stacking energy: -741.206 Base-Backbone interact. energy: -2.569 local terms energy: -837.583272 where: bonds (distance) C4'-P energy: -155.497 bonds (distance) P-C4' energy: -173.133 flat angles C4'-P-C4' energy: -190.612 flat angles P-C4'-P energy: -116.677 tors. eta vs tors. theta energy: -201.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2275.101490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.101490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.101490 (E_RNA) where: Base-Base interactions energy: -1526.593 where: short stacking energy: -693.879 Base-Backbone interact. energy: -2.575 local terms energy: -745.933243 where: bonds (distance) C4'-P energy: -153.671 bonds (distance) P-C4' energy: -138.295 flat angles C4'-P-C4' energy: -176.778 flat angles P-C4'-P energy: -110.188 tors. eta vs tors. theta energy: -167.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1857.848090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.848090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.848090 (E_RNA) where: Base-Base interactions energy: -1179.769 where: short stacking energy: -573.712 Base-Backbone interact. energy: -1.761 local terms energy: -676.317916 where: bonds (distance) C4'-P energy: -155.802 bonds (distance) P-C4' energy: -142.155 flat angles C4'-P-C4' energy: -156.333 flat angles P-C4'-P energy: -93.854 tors. eta vs tors. theta energy: -128.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1752.885792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.885792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.885792 (E_RNA) where: Base-Base interactions energy: -1102.102 where: short stacking energy: -497.221 Base-Backbone interact. energy: 3.799 local terms energy: -654.582717 where: bonds (distance) C4'-P energy: -152.522 bonds (distance) P-C4' energy: -150.469 flat angles C4'-P-C4' energy: -151.947 flat angles P-C4'-P energy: -91.078 tors. eta vs tors. theta energy: -108.566 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: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1008.833018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.833018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.833018 (E_RNA) where: Base-Base interactions energy: -502.750 where: short stacking energy: -270.991 Base-Backbone interact. energy: -1.458 local terms energy: -504.624968 where: bonds (distance) C4'-P energy: -143.931 bonds (distance) P-C4' energy: -165.206 flat angles C4'-P-C4' energy: -133.232 flat angles P-C4'-P energy: -78.699 tors. eta vs tors. theta energy: 16.443 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: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -682.076989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.076989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.076989 (E_RNA) where: Base-Base interactions energy: -224.717 where: short stacking energy: -164.521 Base-Backbone interact. energy: 8.903 local terms energy: -466.262874 where: bonds (distance) C4'-P energy: -152.841 bonds (distance) P-C4' energy: -160.810 flat angles C4'-P-C4' energy: -131.576 flat angles P-C4'-P energy: -66.451 tors. eta vs tors. theta energy: 45.414 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: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3080.853401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.853401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.853401 (E_RNA) where: Base-Base interactions energy: -2102.223 where: short stacking energy: -975.379 Base-Backbone interact. energy: -1.226 local terms energy: -977.405212 where: bonds (distance) C4'-P energy: -185.419 bonds (distance) P-C4' energy: -167.794 flat angles C4'-P-C4' energy: -200.836 flat angles P-C4'-P energy: -145.146 tors. eta vs tors. theta energy: -278.210 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: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -3021.960138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.960138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.960138 (E_RNA) where: Base-Base interactions energy: -2032.364 where: short stacking energy: -927.676 Base-Backbone interact. energy: -1.848 local terms energy: -987.748087 where: bonds (distance) C4'-P energy: -176.620 bonds (distance) P-C4' energy: -185.385 flat angles C4'-P-C4' energy: -209.519 flat angles P-C4'-P energy: -131.452 tors. eta vs tors. theta energy: -284.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2793.590069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.590069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.590069 (E_RNA) where: Base-Base interactions energy: -1858.920 where: short stacking energy: -857.531 Base-Backbone interact. energy: -2.693 local terms energy: -931.977211 where: bonds (distance) C4'-P energy: -173.847 bonds (distance) P-C4' energy: -185.196 flat angles C4'-P-C4' energy: -192.467 flat angles P-C4'-P energy: -140.264 tors. eta vs tors. theta energy: -240.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2668.124536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.124536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.124536 (E_RNA) where: Base-Base interactions energy: -1800.188 where: short stacking energy: -787.788 Base-Backbone interact. energy: 1.568 local terms energy: -869.504602 where: bonds (distance) C4'-P energy: -164.352 bonds (distance) P-C4' energy: -184.443 flat angles C4'-P-C4' energy: -194.862 flat angles P-C4'-P energy: -117.351 tors. eta vs tors. theta energy: -208.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2478.510136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.510136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.510136 (E_RNA) where: Base-Base interactions energy: -1639.881 where: short stacking energy: -739.932 Base-Backbone interact. energy: 9.034 local terms energy: -847.663087 where: bonds (distance) C4'-P energy: -168.935 bonds (distance) P-C4' energy: -169.226 flat angles C4'-P-C4' energy: -181.381 flat angles P-C4'-P energy: -126.107 tors. eta vs tors. theta energy: -202.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2326.261269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.261269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.261269 (E_RNA) where: Base-Base interactions energy: -1555.502 where: short stacking energy: -677.153 Base-Backbone interact. energy: -0.621 local terms energy: -770.138576 where: bonds (distance) C4'-P energy: -142.026 bonds (distance) P-C4' energy: -173.634 flat angles C4'-P-C4' energy: -162.076 flat angles P-C4'-P energy: -109.770 tors. eta vs tors. theta energy: -182.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1938.590421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.590421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.590421 (E_RNA) where: Base-Base interactions energy: -1232.458 where: short stacking energy: -590.513 Base-Backbone interact. energy: -1.354 local terms energy: -704.778704 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -166.709 flat angles C4'-P-C4' energy: -172.830 flat angles P-C4'-P energy: -97.976 tors. eta vs tors. theta energy: -132.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1754.087571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.087571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.087571 (E_RNA) where: Base-Base interactions energy: -1103.270 where: short stacking energy: -502.192 Base-Backbone interact. energy: 1.285 local terms energy: -652.101939 where: bonds (distance) C4'-P energy: -133.702 bonds (distance) P-C4' energy: -161.435 flat angles C4'-P-C4' energy: -159.805 flat angles P-C4'-P energy: -84.779 tors. eta vs tors. theta energy: -112.381 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: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1025.404412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.404412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.404412 (E_RNA) where: Base-Base interactions energy: -520.570 where: short stacking energy: -283.170 Base-Backbone interact. energy: 1.606 local terms energy: -506.440864 where: bonds (distance) C4'-P energy: -158.844 bonds (distance) P-C4' energy: -163.294 flat angles C4'-P-C4' energy: -147.620 flat angles P-C4'-P energy: -48.603 tors. eta vs tors. theta energy: 11.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -693.574873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.574873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.574873 (E_RNA) where: Base-Base interactions energy: -236.412 where: short stacking energy: -218.311 Base-Backbone interact. energy: 4.152 local terms energy: -461.315205 where: bonds (distance) C4'-P energy: -148.232 bonds (distance) P-C4' energy: -140.356 flat angles C4'-P-C4' energy: -114.265 flat angles P-C4'-P energy: -74.487 tors. eta vs tors. theta energy: 16.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3092.967545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.967545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.967545 (E_RNA) where: Base-Base interactions energy: -2097.802 where: short stacking energy: -955.531 Base-Backbone interact. energy: -1.302 local terms energy: -993.863993 where: bonds (distance) C4'-P energy: -171.109 bonds (distance) P-C4' energy: -171.702 flat angles C4'-P-C4' energy: -213.078 flat angles P-C4'-P energy: -162.837 tors. eta vs tors. theta energy: -275.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2956.341183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.341183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.341183 (E_RNA) where: Base-Base interactions energy: -2012.949 where: short stacking energy: -908.672 Base-Backbone interact. energy: -4.458 local terms energy: -938.933845 where: bonds (distance) C4'-P energy: -177.701 bonds (distance) P-C4' energy: -162.095 flat angles C4'-P-C4' energy: -204.739 flat angles P-C4'-P energy: -112.947 tors. eta vs tors. theta energy: -281.452 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: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2822.018724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.018724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.018724 (E_RNA) where: Base-Base interactions energy: -1920.148 where: short stacking energy: -857.660 Base-Backbone interact. energy: -2.334 local terms energy: -899.537114 where: bonds (distance) C4'-P energy: -169.913 bonds (distance) P-C4' energy: -173.952 flat angles C4'-P-C4' energy: -188.081 flat angles P-C4'-P energy: -130.383 tors. eta vs tors. theta energy: -237.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2652.863420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.863420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.863420 (E_RNA) where: Base-Base interactions energy: -1788.655 where: short stacking energy: -817.510 Base-Backbone interact. energy: -2.049 local terms energy: -862.158951 where: bonds (distance) C4'-P energy: -170.843 bonds (distance) P-C4' energy: -170.192 flat angles C4'-P-C4' energy: -177.972 flat angles P-C4'-P energy: -124.568 tors. eta vs tors. theta energy: -218.584 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2502.992046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.992046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.992046 (E_RNA) where: Base-Base interactions energy: -1702.745 where: short stacking energy: -765.503 Base-Backbone interact. energy: 1.041 local terms energy: -801.287982 where: bonds (distance) C4'-P energy: -145.210 bonds (distance) P-C4' energy: -143.031 flat angles C4'-P-C4' energy: -179.536 flat angles P-C4'-P energy: -121.643 tors. eta vs tors. theta energy: -211.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2300.205673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.205673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.205673 (E_RNA) where: Base-Base interactions energy: -1516.784 where: short stacking energy: -720.622 Base-Backbone interact. energy: 0.266 local terms energy: -783.687872 where: bonds (distance) C4'-P energy: -152.447 bonds (distance) P-C4' energy: -157.861 flat angles C4'-P-C4' energy: -162.569 flat angles P-C4'-P energy: -107.375 tors. eta vs tors. theta energy: -203.436 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: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1903.672706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.672706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.672706 (E_RNA) where: Base-Base interactions energy: -1168.047 where: short stacking energy: -567.545 Base-Backbone interact. energy: -3.468 local terms energy: -732.157824 where: bonds (distance) C4'-P energy: -179.138 bonds (distance) P-C4' energy: -135.007 flat angles C4'-P-C4' energy: -182.470 flat angles P-C4'-P energy: -116.206 tors. eta vs tors. theta energy: -119.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1770.381194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.381194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.381194 (E_RNA) where: Base-Base interactions energy: -1113.492 where: short stacking energy: -509.732 Base-Backbone interact. energy: -3.712 local terms energy: -653.177235 where: bonds (distance) C4'-P energy: -148.385 bonds (distance) P-C4' energy: -149.558 flat angles C4'-P-C4' energy: -157.481 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -111.815 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -994.476715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.476715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.476715 (E_RNA) where: Base-Base interactions energy: -517.325 where: short stacking energy: -285.120 Base-Backbone interact. energy: -1.714 local terms energy: -475.438481 where: bonds (distance) C4'-P energy: -130.314 bonds (distance) P-C4' energy: -153.614 flat angles C4'-P-C4' energy: -109.214 flat angles P-C4'-P energy: -75.411 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -688.255052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.255052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.255052 (E_RNA) where: Base-Base interactions energy: -248.265 where: short stacking energy: -204.934 Base-Backbone interact. energy: -4.212 local terms energy: -435.777547 where: bonds (distance) C4'-P energy: -151.103 bonds (distance) P-C4' energy: -125.103 flat angles C4'-P-C4' energy: -131.787 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: 41.141 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: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3101.100658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.100658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.100658 (E_RNA) where: Base-Base interactions energy: -2086.121 where: short stacking energy: -945.155 Base-Backbone interact. energy: -3.059 local terms energy: -1011.920506 where: bonds (distance) C4'-P energy: -184.115 bonds (distance) P-C4' energy: -193.911 flat angles C4'-P-C4' energy: -216.202 flat angles P-C4'-P energy: -139.125 tors. eta vs tors. theta energy: -278.568 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: 270 Temperature: 0.950000 Total energy: -2965.382435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.382435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.382435 (E_RNA) where: Base-Base interactions energy: -1993.118 where: short stacking energy: -881.801 Base-Backbone interact. energy: -6.325 local terms energy: -965.940059 where: bonds (distance) C4'-P energy: -181.691 bonds (distance) P-C4' energy: -187.469 flat angles C4'-P-C4' energy: -211.836 flat angles P-C4'-P energy: -131.380 tors. eta vs tors. theta energy: -253.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2786.946296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.946296 (E_RNA) where: Base-Base interactions energy: -1878.617 where: short stacking energy: -865.689 Base-Backbone interact. energy: -0.553 local terms energy: -907.776964 where: bonds (distance) C4'-P energy: -165.598 bonds (distance) P-C4' energy: -176.092 flat angles C4'-P-C4' energy: -191.981 flat angles P-C4'-P energy: -123.788 tors. eta vs tors. theta energy: -250.318 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: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2686.429164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.429164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.429164 (E_RNA) where: Base-Base interactions energy: -1811.698 where: short stacking energy: -797.164 Base-Backbone interact. energy: -2.988 local terms energy: -871.742690 where: bonds (distance) C4'-P energy: -181.197 bonds (distance) P-C4' energy: -167.700 flat angles C4'-P-C4' energy: -182.649 flat angles P-C4'-P energy: -114.097 tors. eta vs tors. theta energy: -226.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2520.713242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.713242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.713242 (E_RNA) where: Base-Base interactions energy: -1689.945 where: short stacking energy: -760.708 Base-Backbone interact. energy: -2.468 local terms energy: -828.299901 where: bonds (distance) C4'-P energy: -168.240 bonds (distance) P-C4' energy: -154.104 flat angles C4'-P-C4' energy: -182.848 flat angles P-C4'-P energy: -114.409 tors. eta vs tors. theta energy: -208.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2307.985997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.985997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.985997 (E_RNA) where: Base-Base interactions energy: -1475.286 where: short stacking energy: -693.355 Base-Backbone interact. energy: -6.272 local terms energy: -826.427521 where: bonds (distance) C4'-P energy: -156.144 bonds (distance) P-C4' energy: -182.285 flat angles C4'-P-C4' energy: -181.700 flat angles P-C4'-P energy: -119.181 tors. eta vs tors. theta energy: -187.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1828.240654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.240654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.240654 (E_RNA) where: Base-Base interactions energy: -1120.987 where: short stacking energy: -543.103 Base-Backbone interact. energy: 3.266 local terms energy: -710.519762 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -167.393 flat angles C4'-P-C4' energy: -157.389 flat angles P-C4'-P energy: -117.036 tors. eta vs tors. theta energy: -116.403 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: 270 Temperature: 1.250000 Total energy: -1818.778724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.778724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.778724 (E_RNA) where: Base-Base interactions energy: -1175.434 where: short stacking energy: -533.989 Base-Backbone interact. energy: -0.017 local terms energy: -643.327504 where: bonds (distance) C4'-P energy: -144.318 bonds (distance) P-C4' energy: -166.089 flat angles C4'-P-C4' energy: -141.009 flat angles P-C4'-P energy: -89.664 tors. eta vs tors. theta energy: -102.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -997.441893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.441893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.441893 (E_RNA) where: Base-Base interactions energy: -486.688 where: short stacking energy: -274.472 Base-Backbone interact. energy: -2.068 local terms energy: -508.685874 where: bonds (distance) C4'-P energy: -147.470 bonds (distance) P-C4' energy: -154.588 flat angles C4'-P-C4' energy: -134.763 flat angles P-C4'-P energy: -70.130 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -720.589470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.589470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.589470 (E_RNA) where: Base-Base interactions energy: -268.366 where: short stacking energy: -205.888 Base-Backbone interact. energy: 1.002 local terms energy: -453.225567 where: bonds (distance) C4'-P energy: -146.858 bonds (distance) P-C4' energy: -155.555 flat angles C4'-P-C4' energy: -130.000 flat angles P-C4'-P energy: -56.746 tors. eta vs tors. theta energy: 35.933 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: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3085.854059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.854059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.854059 (E_RNA) where: Base-Base interactions energy: -2052.440 where: short stacking energy: -979.584 Base-Backbone interact. energy: -2.081 local terms energy: -1031.333582 where: bonds (distance) C4'-P energy: -185.394 bonds (distance) P-C4' energy: -195.554 flat angles C4'-P-C4' energy: -207.492 flat angles P-C4'-P energy: -158.505 tors. eta vs tors. theta energy: -284.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -3013.899755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.899755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.899755 (E_RNA) where: Base-Base interactions energy: -2021.211 where: short stacking energy: -935.838 Base-Backbone interact. energy: -3.956 local terms energy: -988.732791 where: bonds (distance) C4'-P energy: -176.064 bonds (distance) P-C4' energy: -186.971 flat angles C4'-P-C4' energy: -216.630 flat angles P-C4'-P energy: -138.503 tors. eta vs tors. theta energy: -270.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2784.757955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.757955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.757955 (E_RNA) where: Base-Base interactions energy: -1889.957 where: short stacking energy: -850.683 Base-Backbone interact. energy: -2.366 local terms energy: -892.434723 where: bonds (distance) C4'-P energy: -163.533 bonds (distance) P-C4' energy: -175.581 flat angles C4'-P-C4' energy: -200.617 flat angles P-C4'-P energy: -121.508 tors. eta vs tors. theta energy: -231.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2649.885614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.885614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.885614 (E_RNA) where: Base-Base interactions energy: -1811.163 where: short stacking energy: -794.180 Base-Backbone interact. energy: 7.801 local terms energy: -846.524494 where: bonds (distance) C4'-P energy: -168.915 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -186.717 flat angles P-C4'-P energy: -119.113 tors. eta vs tors. theta energy: -215.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2527.307584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.307584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.307584 (E_RNA) where: Base-Base interactions energy: -1680.003 where: short stacking energy: -756.099 Base-Backbone interact. energy: -1.046 local terms energy: -846.258510 where: bonds (distance) C4'-P energy: -150.039 bonds (distance) P-C4' energy: -167.411 flat angles C4'-P-C4' energy: -184.047 flat angles P-C4'-P energy: -118.647 tors. eta vs tors. theta energy: -226.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2292.890804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.890804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.890804 (E_RNA) where: Base-Base interactions energy: -1509.197 where: short stacking energy: -722.517 Base-Backbone interact. energy: 0.512 local terms energy: -784.205975 where: bonds (distance) C4'-P energy: -142.069 bonds (distance) P-C4' energy: -150.445 flat angles C4'-P-C4' energy: -191.909 flat angles P-C4'-P energy: -116.685 tors. eta vs tors. theta energy: -183.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1792.023765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.023765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.023765 (E_RNA) where: Base-Base interactions energy: -1106.114 where: short stacking energy: -508.716 Base-Backbone interact. energy: -4.024 local terms energy: -681.886552 where: bonds (distance) C4'-P energy: -134.609 bonds (distance) P-C4' energy: -174.643 flat angles C4'-P-C4' energy: -165.602 flat angles P-C4'-P energy: -103.271 tors. eta vs tors. theta energy: -103.762 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: 271 Temperature: 1.250000 Total energy: -1711.340004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.340004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.340004 (E_RNA) where: Base-Base interactions energy: -1038.326 where: short stacking energy: -508.727 Base-Backbone interact. energy: -3.674 local terms energy: -669.340366 where: bonds (distance) C4'-P energy: -147.647 bonds (distance) P-C4' energy: -168.402 flat angles C4'-P-C4' energy: -151.894 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -112.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1046.264478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.264478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.264478 (E_RNA) where: Base-Base interactions energy: -549.617 where: short stacking energy: -302.815 Base-Backbone interact. energy: 0.606 local terms energy: -497.253115 where: bonds (distance) C4'-P energy: -135.766 bonds (distance) P-C4' energy: -155.302 flat angles C4'-P-C4' energy: -123.402 flat angles P-C4'-P energy: -82.031 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -691.490675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.490675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.490675 (E_RNA) where: Base-Base interactions energy: -223.756 where: short stacking energy: -173.626 Base-Backbone interact. energy: 2.472 local terms energy: -470.205875 where: bonds (distance) C4'-P energy: -166.539 bonds (distance) P-C4' energy: -163.865 flat angles C4'-P-C4' energy: -103.936 flat angles P-C4'-P energy: -68.576 tors. eta vs tors. theta energy: 32.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3067.606347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.606347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.606347 (E_RNA) where: Base-Base interactions energy: -2088.427 where: short stacking energy: -941.841 Base-Backbone interact. energy: -3.072 local terms energy: -976.107713 where: bonds (distance) C4'-P energy: -175.861 bonds (distance) P-C4' energy: -186.305 flat angles C4'-P-C4' energy: -207.833 flat angles P-C4'-P energy: -142.608 tors. eta vs tors. theta energy: -263.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -3025.326097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.326097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.326097 (E_RNA) where: Base-Base interactions energy: -2073.348 where: short stacking energy: -966.680 Base-Backbone interact. energy: -2.085 local terms energy: -949.892979 where: bonds (distance) C4'-P energy: -164.863 bonds (distance) P-C4' energy: -199.030 flat angles C4'-P-C4' energy: -203.246 flat angles P-C4'-P energy: -119.036 tors. eta vs tors. theta energy: -263.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2744.580883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.580883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.580883 (E_RNA) where: Base-Base interactions energy: -1854.740 where: short stacking energy: -804.760 Base-Backbone interact. energy: -3.440 local terms energy: -886.400719 where: bonds (distance) C4'-P energy: -178.640 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -200.415 flat angles P-C4'-P energy: -125.477 tors. eta vs tors. theta energy: -224.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2656.577611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.577611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.577611 (E_RNA) where: Base-Base interactions energy: -1772.890 where: short stacking energy: -795.753 Base-Backbone interact. energy: 4.047 local terms energy: -887.734907 where: bonds (distance) C4'-P energy: -160.506 bonds (distance) P-C4' energy: -173.508 flat angles C4'-P-C4' energy: -197.869 flat angles P-C4'-P energy: -128.880 tors. eta vs tors. theta energy: -226.971 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: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2573.085970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.085970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.085970 (E_RNA) where: Base-Base interactions energy: -1724.382 where: short stacking energy: -773.867 Base-Backbone interact. energy: -1.126 local terms energy: -847.578222 where: bonds (distance) C4'-P energy: -165.685 bonds (distance) P-C4' energy: -140.583 flat angles C4'-P-C4' energy: -175.608 flat angles P-C4'-P energy: -139.522 tors. eta vs tors. theta energy: -226.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2308.325820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.325820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.325820 (E_RNA) where: Base-Base interactions energy: -1546.527 where: short stacking energy: -707.755 Base-Backbone interact. energy: 4.287 local terms energy: -766.086181 where: bonds (distance) C4'-P energy: -170.589 bonds (distance) P-C4' energy: -144.749 flat angles C4'-P-C4' energy: -169.965 flat angles P-C4'-P energy: -107.099 tors. eta vs tors. theta energy: -173.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1853.608972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.608972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.608972 (E_RNA) where: Base-Base interactions energy: -1184.858 where: short stacking energy: -541.836 Base-Backbone interact. energy: 7.649 local terms energy: -676.399277 where: bonds (distance) C4'-P energy: -153.463 bonds (distance) P-C4' energy: -150.365 flat angles C4'-P-C4' energy: -148.916 flat angles P-C4'-P energy: -103.014 tors. eta vs tors. theta energy: -120.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1604.364508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.364508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.364508 (E_RNA) where: Base-Base interactions energy: -964.305 where: short stacking energy: -493.256 Base-Backbone interact. energy: 7.263 local terms energy: -647.323258 where: bonds (distance) C4'-P energy: -144.299 bonds (distance) P-C4' energy: -144.799 flat angles C4'-P-C4' energy: -167.684 flat angles P-C4'-P energy: -102.472 tors. eta vs tors. theta energy: -88.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1086.867840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.867840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.867840 (E_RNA) where: Base-Base interactions energy: -553.304 where: short stacking energy: -313.292 Base-Backbone interact. energy: 0.229 local terms energy: -533.793633 where: bonds (distance) C4'-P energy: -138.317 bonds (distance) P-C4' energy: -164.230 flat angles C4'-P-C4' energy: -135.390 flat angles P-C4'-P energy: -70.609 tors. eta vs tors. theta energy: -25.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -770.985491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.985491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.985491 (E_RNA) where: Base-Base interactions energy: -321.575 where: short stacking energy: -222.809 Base-Backbone interact. energy: 9.021 local terms energy: -458.431244 where: bonds (distance) C4'-P energy: -132.344 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -126.931 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: 18.661 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: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3055.443630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.443630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.443630 (E_RNA) where: Base-Base interactions energy: -2088.554 where: short stacking energy: -925.041 Base-Backbone interact. energy: -4.035 local terms energy: -962.854338 where: bonds (distance) C4'-P energy: -191.113 bonds (distance) P-C4' energy: -186.747 flat angles C4'-P-C4' energy: -194.125 flat angles P-C4'-P energy: -130.208 tors. eta vs tors. theta energy: -260.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -3029.517159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.517159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.517159 (E_RNA) where: Base-Base interactions energy: -2055.112 where: short stacking energy: -922.838 Base-Backbone interact. energy: 0.106 local terms energy: -974.511554 where: bonds (distance) C4'-P energy: -176.663 bonds (distance) P-C4' energy: -185.822 flat angles C4'-P-C4' energy: -207.843 flat angles P-C4'-P energy: -133.584 tors. eta vs tors. theta energy: -270.600 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: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2808.128874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.128874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.128874 (E_RNA) where: Base-Base interactions energy: -1910.373 where: short stacking energy: -857.347 Base-Backbone interact. energy: -5.258 local terms energy: -892.497792 where: bonds (distance) C4'-P energy: -157.391 bonds (distance) P-C4' energy: -181.731 flat angles C4'-P-C4' energy: -188.553 flat angles P-C4'-P energy: -134.514 tors. eta vs tors. theta energy: -230.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2665.881396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.881396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.881396 (E_RNA) where: Base-Base interactions energy: -1784.370 where: short stacking energy: -822.699 Base-Backbone interact. energy: -2.301 local terms energy: -879.210861 where: bonds (distance) C4'-P energy: -166.118 bonds (distance) P-C4' energy: -163.406 flat angles C4'-P-C4' energy: -195.432 flat angles P-C4'-P energy: -132.999 tors. eta vs tors. theta energy: -221.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2578.859516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.859516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.859516 (E_RNA) where: Base-Base interactions energy: -1713.358 where: short stacking energy: -791.409 Base-Backbone interact. energy: -2.401 local terms energy: -863.100107 where: bonds (distance) C4'-P energy: -158.161 bonds (distance) P-C4' energy: -176.344 flat angles C4'-P-C4' energy: -192.308 flat angles P-C4'-P energy: -114.696 tors. eta vs tors. theta energy: -221.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2279.939593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.939593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.939593 (E_RNA) where: Base-Base interactions energy: -1472.895 where: short stacking energy: -678.652 Base-Backbone interact. energy: -5.760 local terms energy: -801.284515 where: bonds (distance) C4'-P energy: -154.927 bonds (distance) P-C4' energy: -138.296 flat angles C4'-P-C4' energy: -198.261 flat angles P-C4'-P energy: -133.539 tors. eta vs tors. theta energy: -176.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1822.427386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.427386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.427386 (E_RNA) where: Base-Base interactions energy: -1144.803 where: short stacking energy: -563.100 Base-Backbone interact. energy: -0.538 local terms energy: -677.086428 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -153.907 flat angles C4'-P-C4' energy: -173.234 flat angles P-C4'-P energy: -96.769 tors. eta vs tors. theta energy: -118.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1650.451554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.451554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.451554 (E_RNA) where: Base-Base interactions energy: -995.705 where: short stacking energy: -484.532 Base-Backbone interact. energy: -0.193 local terms energy: -654.553058 where: bonds (distance) C4'-P energy: -167.770 bonds (distance) P-C4' energy: -160.828 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -105.368 tors. eta vs tors. theta energy: -91.538 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: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1125.040901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.040901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.040901 (E_RNA) where: Base-Base interactions energy: -591.810 where: short stacking energy: -336.290 Base-Backbone interact. energy: -1.474 local terms energy: -531.756325 where: bonds (distance) C4'-P energy: -150.574 bonds (distance) P-C4' energy: -155.950 flat angles C4'-P-C4' energy: -108.550 flat angles P-C4'-P energy: -79.080 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: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -783.972393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.972393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.972393 (E_RNA) where: Base-Base interactions energy: -317.197 where: short stacking energy: -214.434 Base-Backbone interact. energy: -1.516 local terms energy: -465.259341 where: bonds (distance) C4'-P energy: -134.211 bonds (distance) P-C4' energy: -169.001 flat angles C4'-P-C4' energy: -139.618 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: 45.819 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: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3053.687701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.687701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.687701 (E_RNA) where: Base-Base interactions energy: -2079.569 where: short stacking energy: -954.540 Base-Backbone interact. energy: -2.733 local terms energy: -971.385656 where: bonds (distance) C4'-P energy: -167.807 bonds (distance) P-C4' energy: -184.994 flat angles C4'-P-C4' energy: -207.489 flat angles P-C4'-P energy: -131.395 tors. eta vs tors. theta energy: -279.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3021.497228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.497228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.497228 (E_RNA) where: Base-Base interactions energy: -2030.665 where: short stacking energy: -952.696 Base-Backbone interact. energy: -0.887 local terms energy: -989.944706 where: bonds (distance) C4'-P energy: -184.102 bonds (distance) P-C4' energy: -189.408 flat angles C4'-P-C4' energy: -199.285 flat angles P-C4'-P energy: -141.239 tors. eta vs tors. theta energy: -275.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2799.558313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.558313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.558313 (E_RNA) where: Base-Base interactions energy: -1893.538 where: short stacking energy: -829.392 Base-Backbone interact. energy: -0.074 local terms energy: -905.945998 where: bonds (distance) C4'-P energy: -162.399 bonds (distance) P-C4' energy: -188.046 flat angles C4'-P-C4' energy: -181.271 flat angles P-C4'-P energy: -147.270 tors. eta vs tors. theta energy: -226.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2623.159329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.159329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.159329 (E_RNA) where: Base-Base interactions energy: -1765.233 where: short stacking energy: -775.362 Base-Backbone interact. energy: -0.918 local terms energy: -857.008420 where: bonds (distance) C4'-P energy: -166.579 bonds (distance) P-C4' energy: -179.630 flat angles C4'-P-C4' energy: -176.455 flat angles P-C4'-P energy: -117.223 tors. eta vs tors. theta energy: -217.122 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: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2573.563813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.563813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.563813 (E_RNA) where: Base-Base interactions energy: -1722.782 where: short stacking energy: -802.020 Base-Backbone interact. energy: 0.987 local terms energy: -851.768696 where: bonds (distance) C4'-P energy: -156.898 bonds (distance) P-C4' energy: -162.743 flat angles C4'-P-C4' energy: -189.569 flat angles P-C4'-P energy: -115.139 tors. eta vs tors. theta energy: -227.420 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: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2307.463924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.463924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.463924 (E_RNA) where: Base-Base interactions energy: -1533.578 where: short stacking energy: -680.419 Base-Backbone interact. energy: 2.108 local terms energy: -775.993548 where: bonds (distance) C4'-P energy: -130.291 bonds (distance) P-C4' energy: -175.580 flat angles C4'-P-C4' energy: -167.455 flat angles P-C4'-P energy: -126.667 tors. eta vs tors. theta energy: -176.001 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: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1871.806588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.806588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.806588 (E_RNA) where: Base-Base interactions energy: -1162.502 where: short stacking energy: -558.234 Base-Backbone interact. energy: 0.555 local terms energy: -709.859933 where: bonds (distance) C4'-P energy: -141.465 bonds (distance) P-C4' energy: -179.239 flat angles C4'-P-C4' energy: -156.517 flat angles P-C4'-P energy: -97.613 tors. eta vs tors. theta energy: -135.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1672.813429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.813429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.813429 (E_RNA) where: Base-Base interactions energy: -1009.648 where: short stacking energy: -522.219 Base-Backbone interact. energy: 0.904 local terms energy: -664.069158 where: bonds (distance) C4'-P energy: -138.963 bonds (distance) P-C4' energy: -160.362 flat angles C4'-P-C4' energy: -153.674 flat angles P-C4'-P energy: -100.190 tors. eta vs tors. theta energy: -110.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1122.835145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.835145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.835145 (E_RNA) where: Base-Base interactions energy: -607.848 where: short stacking energy: -333.904 Base-Backbone interact. energy: -1.786 local terms energy: -513.201532 where: bonds (distance) C4'-P energy: -131.312 bonds (distance) P-C4' energy: -138.917 flat angles C4'-P-C4' energy: -152.528 flat angles P-C4'-P energy: -71.233 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: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -820.026796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.026796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.026796 (E_RNA) where: Base-Base interactions energy: -343.342 where: short stacking energy: -218.599 Base-Backbone interact. energy: -1.485 local terms energy: -475.199221 where: bonds (distance) C4'-P energy: -145.437 bonds (distance) P-C4' energy: -133.798 flat angles C4'-P-C4' energy: -133.861 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: 17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3061.441183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.441183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.441183 (E_RNA) where: Base-Base interactions energy: -2104.369 where: short stacking energy: -948.851 Base-Backbone interact. energy: -3.891 local terms energy: -953.181245 where: bonds (distance) C4'-P energy: -167.316 bonds (distance) P-C4' energy: -161.947 flat angles C4'-P-C4' energy: -211.607 flat angles P-C4'-P energy: -133.278 tors. eta vs tors. theta energy: -279.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -3042.541960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.541960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.541960 (E_RNA) where: Base-Base interactions energy: -2060.352 where: short stacking energy: -984.863 Base-Backbone interact. energy: 5.464 local terms energy: -987.653535 where: bonds (distance) C4'-P energy: -172.361 bonds (distance) P-C4' energy: -166.190 flat angles C4'-P-C4' energy: -215.049 flat angles P-C4'-P energy: -146.578 tors. eta vs tors. theta energy: -287.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2777.465766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.465766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.465766 (E_RNA) where: Base-Base interactions energy: -1907.318 where: short stacking energy: -830.572 Base-Backbone interact. energy: -1.057 local terms energy: -869.090836 where: bonds (distance) C4'-P energy: -160.958 bonds (distance) P-C4' energy: -175.503 flat angles C4'-P-C4' energy: -191.165 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -234.245 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: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2697.596597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.596597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.596597 (E_RNA) where: Base-Base interactions energy: -1827.751 where: short stacking energy: -787.187 Base-Backbone interact. energy: -0.661 local terms energy: -869.184077 where: bonds (distance) C4'-P energy: -171.123 bonds (distance) P-C4' energy: -172.044 flat angles C4'-P-C4' energy: -191.834 flat angles P-C4'-P energy: -116.007 tors. eta vs tors. theta energy: -218.175 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: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2525.280722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.280722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.280722 (E_RNA) where: Base-Base interactions energy: -1699.425 where: short stacking energy: -750.569 Base-Backbone interact. energy: -1.036 local terms energy: -824.818935 where: bonds (distance) C4'-P energy: -145.212 bonds (distance) P-C4' energy: -151.510 flat angles C4'-P-C4' energy: -186.693 flat angles P-C4'-P energy: -133.416 tors. eta vs tors. theta energy: -207.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2284.300031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.300031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.300031 (E_RNA) where: Base-Base interactions energy: -1491.072 where: short stacking energy: -741.377 Base-Backbone interact. energy: -4.839 local terms energy: -788.389005 where: bonds (distance) C4'-P energy: -146.774 bonds (distance) P-C4' energy: -171.699 flat angles C4'-P-C4' energy: -171.271 flat angles P-C4'-P energy: -97.101 tors. eta vs tors. theta energy: -201.545 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: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1917.054464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.054464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.054464 (E_RNA) where: Base-Base interactions energy: -1222.477 where: short stacking energy: -538.427 Base-Backbone interact. energy: -2.249 local terms energy: -692.328084 where: bonds (distance) C4'-P energy: -145.426 bonds (distance) P-C4' energy: -137.093 flat angles C4'-P-C4' energy: -176.001 flat angles P-C4'-P energy: -110.157 tors. eta vs tors. theta energy: -123.651 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: 275 Temperature: 1.250000 Total energy: -1622.043499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.043499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.043499 (E_RNA) where: Base-Base interactions energy: -1014.441 where: short stacking energy: -450.247 Base-Backbone interact. energy: 1.718 local terms energy: -609.320477 where: bonds (distance) C4'-P energy: -131.237 bonds (distance) P-C4' energy: -144.336 flat angles C4'-P-C4' energy: -150.184 flat angles P-C4'-P energy: -108.592 tors. eta vs tors. theta energy: -74.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1176.396257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.396257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.396257 (E_RNA) where: Base-Base interactions energy: -611.261 where: short stacking energy: -327.773 Base-Backbone interact. energy: -0.755 local terms energy: -564.379352 where: bonds (distance) C4'-P energy: -152.017 bonds (distance) P-C4' energy: -152.574 flat angles C4'-P-C4' energy: -156.104 flat angles P-C4'-P energy: -86.650 tors. eta vs tors. theta energy: -17.034 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: 275 Temperature: 1.350000 Total energy: -737.710511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.710511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.710511 (E_RNA) where: Base-Base interactions energy: -291.223 where: short stacking energy: -201.909 Base-Backbone interact. energy: -0.459 local terms energy: -446.028481 where: bonds (distance) C4'-P energy: -146.054 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: 48.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3084.186031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.186031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.186031 (E_RNA) where: Base-Base interactions energy: -2094.328 where: short stacking energy: -934.684 Base-Backbone interact. energy: 0.119 local terms energy: -989.977494 where: bonds (distance) C4'-P energy: -185.363 bonds (distance) P-C4' energy: -184.874 flat angles C4'-P-C4' energy: -208.656 flat angles P-C4'-P energy: -128.019 tors. eta vs tors. theta energy: -283.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -3023.828590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.828590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.828590 (E_RNA) where: Base-Base interactions energy: -2030.982 where: short stacking energy: -930.261 Base-Backbone interact. energy: -3.689 local terms energy: -989.157486 where: bonds (distance) C4'-P energy: -176.485 bonds (distance) P-C4' energy: -191.477 flat angles C4'-P-C4' energy: -213.256 flat angles P-C4'-P energy: -135.691 tors. eta vs tors. theta energy: -272.249 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2744.349580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.349580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.349580 (E_RNA) where: Base-Base interactions energy: -1852.899 where: short stacking energy: -838.966 Base-Backbone interact. energy: -1.748 local terms energy: -889.703177 where: bonds (distance) C4'-P energy: -159.000 bonds (distance) P-C4' energy: -184.733 flat angles C4'-P-C4' energy: -191.504 flat angles P-C4'-P energy: -131.932 tors. eta vs tors. theta energy: -222.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2727.737260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.737260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.737260 (E_RNA) where: Base-Base interactions energy: -1854.717 where: short stacking energy: -850.005 Base-Backbone interact. energy: -1.007 local terms energy: -872.013524 where: bonds (distance) C4'-P energy: -166.233 bonds (distance) P-C4' energy: -169.911 flat angles C4'-P-C4' energy: -181.011 flat angles P-C4'-P energy: -115.180 tors. eta vs tors. theta energy: -239.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2553.730725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.730725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.730725 (E_RNA) where: Base-Base interactions energy: -1722.679 where: short stacking energy: -803.396 Base-Backbone interact. energy: 2.734 local terms energy: -833.785728 where: bonds (distance) C4'-P energy: -153.538 bonds (distance) P-C4' energy: -154.967 flat angles C4'-P-C4' energy: -175.769 flat angles P-C4'-P energy: -120.091 tors. eta vs tors. theta energy: -229.422 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: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2258.613950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.613950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.613950 (E_RNA) where: Base-Base interactions energy: -1459.300 where: short stacking energy: -691.100 Base-Backbone interact. energy: -1.828 local terms energy: -797.486739 where: bonds (distance) C4'-P energy: -164.728 bonds (distance) P-C4' energy: -162.029 flat angles C4'-P-C4' energy: -184.077 flat angles P-C4'-P energy: -104.163 tors. eta vs tors. theta energy: -182.490 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: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1907.435584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.435584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.435584 (E_RNA) where: Base-Base interactions energy: -1199.952 where: short stacking energy: -550.003 Base-Backbone interact. energy: 0.052 local terms energy: -707.536023 where: bonds (distance) C4'-P energy: -162.282 bonds (distance) P-C4' energy: -158.401 flat angles C4'-P-C4' energy: -164.636 flat angles P-C4'-P energy: -95.332 tors. eta vs tors. theta energy: -126.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1787.973640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.973640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.973640 (E_RNA) where: Base-Base interactions energy: -1139.757 where: short stacking energy: -519.691 Base-Backbone interact. energy: 4.678 local terms energy: -652.894032 where: bonds (distance) C4'-P energy: -155.064 bonds (distance) P-C4' energy: -170.075 flat angles C4'-P-C4' energy: -132.262 flat angles P-C4'-P energy: -79.559 tors. eta vs tors. theta energy: -115.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1187.311770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.311770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.311770 (E_RNA) where: Base-Base interactions energy: -624.130 where: short stacking energy: -307.615 Base-Backbone interact. energy: 3.177 local terms energy: -566.358969 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -146.496 flat angles C4'-P-C4' energy: -171.350 flat angles P-C4'-P energy: -83.694 tors. eta vs tors. theta energy: -21.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -734.275432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.275432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.275432 (E_RNA) where: Base-Base interactions energy: -262.725 where: short stacking energy: -187.120 Base-Backbone interact. energy: 2.301 local terms energy: -473.851702 where: bonds (distance) C4'-P energy: -161.642 bonds (distance) P-C4' energy: -148.889 flat angles C4'-P-C4' energy: -115.800 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: 28.325 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: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3058.248819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.248819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.248819 (E_RNA) where: Base-Base interactions energy: -2073.001 where: short stacking energy: -926.199 Base-Backbone interact. energy: 0.156 local terms energy: -985.404253 where: bonds (distance) C4'-P energy: -175.167 bonds (distance) P-C4' energy: -188.625 flat angles C4'-P-C4' energy: -200.007 flat angles P-C4'-P energy: -133.250 tors. eta vs tors. theta energy: -288.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3011.744948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.744948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.744948 (E_RNA) where: Base-Base interactions energy: -2034.063 where: short stacking energy: -933.218 Base-Backbone interact. energy: -0.717 local terms energy: -976.964682 where: bonds (distance) C4'-P energy: -179.883 bonds (distance) P-C4' energy: -192.032 flat angles C4'-P-C4' energy: -201.492 flat angles P-C4'-P energy: -127.555 tors. eta vs tors. theta energy: -276.002 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: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2783.239051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.239051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.239051 (E_RNA) where: Base-Base interactions energy: -1890.032 where: short stacking energy: -827.293 Base-Backbone interact. energy: -4.292 local terms energy: -888.914564 where: bonds (distance) C4'-P energy: -168.856 bonds (distance) P-C4' energy: -168.255 flat angles C4'-P-C4' energy: -180.949 flat angles P-C4'-P energy: -137.804 tors. eta vs tors. theta energy: -233.050 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: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2736.279675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.279675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.279675 (E_RNA) where: Base-Base interactions energy: -1830.355 where: short stacking energy: -797.773 Base-Backbone interact. energy: -3.405 local terms energy: -902.519969 where: bonds (distance) C4'-P energy: -179.019 bonds (distance) P-C4' energy: -163.312 flat angles C4'-P-C4' energy: -179.491 flat angles P-C4'-P energy: -140.371 tors. eta vs tors. theta energy: -240.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2595.887963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.887963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.887963 (E_RNA) where: Base-Base interactions energy: -1738.400 where: short stacking energy: -767.211 Base-Backbone interact. energy: -0.543 local terms energy: -856.945349 where: bonds (distance) C4'-P energy: -181.682 bonds (distance) P-C4' energy: -165.248 flat angles C4'-P-C4' energy: -175.670 flat angles P-C4'-P energy: -113.806 tors. eta vs tors. theta energy: -220.540 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: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2218.913657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.913657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.913657 (E_RNA) where: Base-Base interactions energy: -1432.886 where: short stacking energy: -665.901 Base-Backbone interact. energy: 9.108 local terms energy: -795.135500 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -176.686 flat angles C4'-P-C4' energy: -178.000 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -178.910 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: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1879.105488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.105488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.105488 (E_RNA) where: Base-Base interactions energy: -1211.783 where: short stacking energy: -555.174 Base-Backbone interact. energy: 3.858 local terms energy: -671.180556 where: bonds (distance) C4'-P energy: -157.778 bonds (distance) P-C4' energy: -145.457 flat angles C4'-P-C4' energy: -163.181 flat angles P-C4'-P energy: -100.839 tors. eta vs tors. theta energy: -103.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1820.076549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.076549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.076549 (E_RNA) where: Base-Base interactions energy: -1107.817 where: short stacking energy: -512.926 Base-Backbone interact. energy: 0.531 local terms energy: -712.790938 where: bonds (distance) C4'-P energy: -149.628 bonds (distance) P-C4' energy: -180.667 flat angles C4'-P-C4' energy: -173.570 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -127.671 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: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1185.584288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.584288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.584288 (E_RNA) where: Base-Base interactions energy: -635.704 where: short stacking energy: -345.252 Base-Backbone interact. energy: -1.918 local terms energy: -547.962292 where: bonds (distance) C4'-P energy: -134.180 bonds (distance) P-C4' energy: -161.580 flat angles C4'-P-C4' energy: -137.124 flat angles P-C4'-P energy: -82.391 tors. eta vs tors. theta energy: -32.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -818.157816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.157816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.157816 (E_RNA) where: Base-Base interactions energy: -353.853 where: short stacking energy: -235.506 Base-Backbone interact. energy: 3.760 local terms energy: -468.064885 where: bonds (distance) C4'-P energy: -147.910 bonds (distance) P-C4' energy: -142.881 flat angles C4'-P-C4' energy: -140.780 flat angles P-C4'-P energy: -79.006 tors. eta vs tors. theta energy: 42.511 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: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3086.602868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.602868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.602868 (E_RNA) where: Base-Base interactions energy: -2105.082 where: short stacking energy: -921.434 Base-Backbone interact. energy: -5.376 local terms energy: -976.145244 where: bonds (distance) C4'-P energy: -163.407 bonds (distance) P-C4' energy: -200.204 flat angles C4'-P-C4' energy: -203.728 flat angles P-C4'-P energy: -144.480 tors. eta vs tors. theta energy: -264.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3062.504219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.504219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.504219 (E_RNA) where: Base-Base interactions energy: -2070.279 where: short stacking energy: -951.449 Base-Backbone interact. energy: -1.432 local terms energy: -990.793322 where: bonds (distance) C4'-P energy: -167.557 bonds (distance) P-C4' energy: -193.918 flat angles C4'-P-C4' energy: -210.206 flat angles P-C4'-P energy: -146.718 tors. eta vs tors. theta energy: -272.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2793.495696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.495696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.495696 (E_RNA) where: Base-Base interactions energy: -1895.235 where: short stacking energy: -853.028 Base-Backbone interact. energy: -1.438 local terms energy: -896.822157 where: bonds (distance) C4'-P energy: -153.377 bonds (distance) P-C4' energy: -175.897 flat angles C4'-P-C4' energy: -201.753 flat angles P-C4'-P energy: -127.855 tors. eta vs tors. theta energy: -237.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2712.258414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.258414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.258414 (E_RNA) where: Base-Base interactions energy: -1812.224 where: short stacking energy: -812.585 Base-Backbone interact. energy: 1.048 local terms energy: -901.082390 where: bonds (distance) C4'-P energy: -160.332 bonds (distance) P-C4' energy: -176.021 flat angles C4'-P-C4' energy: -178.656 flat angles P-C4'-P energy: -138.207 tors. eta vs tors. theta energy: -247.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2465.793430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.793430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.793430 (E_RNA) where: Base-Base interactions energy: -1642.296 where: short stacking energy: -765.406 Base-Backbone interact. energy: -0.854 local terms energy: -822.643568 where: bonds (distance) C4'-P energy: -144.259 bonds (distance) P-C4' energy: -158.620 flat angles C4'-P-C4' energy: -182.905 flat angles P-C4'-P energy: -112.401 tors. eta vs tors. theta energy: -224.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2292.259852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.259852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.259852 (E_RNA) where: Base-Base interactions energy: -1470.343 where: short stacking energy: -710.196 Base-Backbone interact. energy: -2.765 local terms energy: -819.151725 where: bonds (distance) C4'-P energy: -164.319 bonds (distance) P-C4' energy: -175.660 flat angles C4'-P-C4' energy: -172.443 flat angles P-C4'-P energy: -112.319 tors. eta vs tors. theta energy: -194.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1908.444673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.444673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.444673 (E_RNA) where: Base-Base interactions energy: -1211.630 where: short stacking energy: -568.579 Base-Backbone interact. energy: 0.144 local terms energy: -696.959004 where: bonds (distance) C4'-P energy: -132.859 bonds (distance) P-C4' energy: -144.327 flat angles C4'-P-C4' energy: -176.123 flat angles P-C4'-P energy: -103.154 tors. eta vs tors. theta energy: -140.497 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: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1716.628417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.628417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.628417 (E_RNA) where: Base-Base interactions energy: -1065.786 where: short stacking energy: -532.358 Base-Backbone interact. energy: -0.471 local terms energy: -650.371395 where: bonds (distance) C4'-P energy: -146.186 bonds (distance) P-C4' energy: -154.606 flat angles C4'-P-C4' energy: -148.365 flat angles P-C4'-P energy: -76.116 tors. eta vs tors. theta energy: -125.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1215.132546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.132546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.132546 (E_RNA) where: Base-Base interactions energy: -650.570 where: short stacking energy: -355.228 Base-Backbone interact. energy: -5.482 local terms energy: -559.080954 where: bonds (distance) C4'-P energy: -138.688 bonds (distance) P-C4' energy: -173.063 flat angles C4'-P-C4' energy: -132.912 flat angles P-C4'-P energy: -82.176 tors. eta vs tors. theta energy: -32.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -892.580357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.580357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.580357 (E_RNA) where: Base-Base interactions energy: -400.656 where: short stacking energy: -268.857 Base-Backbone interact. energy: 6.813 local terms energy: -498.737092 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -145.056 flat angles C4'-P-C4' energy: -153.054 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: -3.054 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: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3069.497374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.497374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.497374 (E_RNA) where: Base-Base interactions energy: -2110.164 where: short stacking energy: -937.648 Base-Backbone interact. energy: -3.731 local terms energy: -955.602464 where: bonds (distance) C4'-P energy: -171.353 bonds (distance) P-C4' energy: -182.164 flat angles C4'-P-C4' energy: -205.574 flat angles P-C4'-P energy: -136.552 tors. eta vs tors. theta energy: -259.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -3041.584607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.584607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.584607 (E_RNA) where: Base-Base interactions energy: -2062.108 where: short stacking energy: -971.131 Base-Backbone interact. energy: -3.674 local terms energy: -975.802533 where: bonds (distance) C4'-P energy: -153.944 bonds (distance) P-C4' energy: -167.254 flat angles C4'-P-C4' energy: -219.805 flat angles P-C4'-P energy: -144.733 tors. eta vs tors. theta energy: -290.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2823.594514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.594514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.594514 (E_RNA) where: Base-Base interactions energy: -1890.484 where: short stacking energy: -862.366 Base-Backbone interact. energy: -1.237 local terms energy: -931.874052 where: bonds (distance) C4'-P energy: -174.633 bonds (distance) P-C4' energy: -181.509 flat angles C4'-P-C4' energy: -197.426 flat angles P-C4'-P energy: -127.590 tors. eta vs tors. theta energy: -250.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2673.215061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.215061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.215061 (E_RNA) where: Base-Base interactions energy: -1796.483 where: short stacking energy: -802.155 Base-Backbone interact. energy: -1.348 local terms energy: -875.384208 where: bonds (distance) C4'-P energy: -152.192 bonds (distance) P-C4' energy: -181.237 flat angles C4'-P-C4' energy: -199.909 flat angles P-C4'-P energy: -119.037 tors. eta vs tors. theta energy: -223.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2471.080355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.080355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.080355 (E_RNA) where: Base-Base interactions energy: -1648.443 where: short stacking energy: -748.691 Base-Backbone interact. energy: 0.188 local terms energy: -822.825170 where: bonds (distance) C4'-P energy: -187.604 bonds (distance) P-C4' energy: -150.385 flat angles C4'-P-C4' energy: -176.662 flat angles P-C4'-P energy: -116.891 tors. eta vs tors. theta energy: -191.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2289.678447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.678447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.678447 (E_RNA) where: Base-Base interactions energy: -1517.729 where: short stacking energy: -685.466 Base-Backbone interact. energy: -1.795 local terms energy: -770.154607 where: bonds (distance) C4'-P energy: -140.800 bonds (distance) P-C4' energy: -164.681 flat angles C4'-P-C4' energy: -177.103 flat angles P-C4'-P energy: -113.819 tors. eta vs tors. theta energy: -173.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1985.241698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.241698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.241698 (E_RNA) where: Base-Base interactions energy: -1277.170 where: short stacking energy: -590.291 Base-Backbone interact. energy: -1.688 local terms energy: -706.382887 where: bonds (distance) C4'-P energy: -166.708 bonds (distance) P-C4' energy: -158.642 flat angles C4'-P-C4' energy: -151.111 flat angles P-C4'-P energy: -94.298 tors. eta vs tors. theta energy: -135.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1668.929364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.929364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.929364 (E_RNA) where: Base-Base interactions energy: -1030.418 where: short stacking energy: -502.674 Base-Backbone interact. energy: -2.335 local terms energy: -636.176314 where: bonds (distance) C4'-P energy: -127.662 bonds (distance) P-C4' energy: -164.243 flat angles C4'-P-C4' energy: -153.871 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: -101.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1171.797557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.797557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.797557 (E_RNA) where: Base-Base interactions energy: -613.273 where: short stacking energy: -330.648 Base-Backbone interact. energy: 1.347 local terms energy: -559.871935 where: bonds (distance) C4'-P energy: -146.790 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -147.484 flat angles P-C4'-P energy: -89.515 tors. eta vs tors. theta energy: -30.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -852.996176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.996176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.996176 (E_RNA) where: Base-Base interactions energy: -390.273 where: short stacking energy: -246.277 Base-Backbone interact. energy: 5.610 local terms energy: -468.333089 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -151.215 flat angles C4'-P-C4' energy: -129.731 flat angles P-C4'-P energy: -38.097 tors. eta vs tors. theta energy: 6.465 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: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3075.377504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.377504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.377504 (E_RNA) where: Base-Base interactions energy: -2088.068 where: short stacking energy: -947.188 Base-Backbone interact. energy: -8.744 local terms energy: -978.565421 where: bonds (distance) C4'-P energy: -185.994 bonds (distance) P-C4' energy: -189.614 flat angles C4'-P-C4' energy: -212.593 flat angles P-C4'-P energy: -136.709 tors. eta vs tors. theta energy: -253.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2991.180805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.180805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.180805 (E_RNA) where: Base-Base interactions energy: -2015.155 where: short stacking energy: -941.858 Base-Backbone interact. energy: -2.474 local terms energy: -973.552465 where: bonds (distance) C4'-P energy: -187.824 bonds (distance) P-C4' energy: -178.143 flat angles C4'-P-C4' energy: -203.517 flat angles P-C4'-P energy: -129.145 tors. eta vs tors. theta energy: -274.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2740.566172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.566172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.566172 (E_RNA) where: Base-Base interactions energy: -1841.409 where: short stacking energy: -856.371 Base-Backbone interact. energy: -0.100 local terms energy: -899.057765 where: bonds (distance) C4'-P energy: -171.477 bonds (distance) P-C4' energy: -175.843 flat angles C4'-P-C4' energy: -183.130 flat angles P-C4'-P energy: -141.232 tors. eta vs tors. theta energy: -227.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2680.057214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.057214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.057214 (E_RNA) where: Base-Base interactions energy: -1796.940 where: short stacking energy: -792.093 Base-Backbone interact. energy: 1.482 local terms energy: -884.599200 where: bonds (distance) C4'-P energy: -159.893 bonds (distance) P-C4' energy: -167.656 flat angles C4'-P-C4' energy: -183.721 flat angles P-C4'-P energy: -129.305 tors. eta vs tors. theta energy: -244.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2416.919698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.919698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.919698 (E_RNA) where: Base-Base interactions energy: -1581.693 where: short stacking energy: -722.791 Base-Backbone interact. energy: -2.112 local terms energy: -833.114408 where: bonds (distance) C4'-P energy: -158.703 bonds (distance) P-C4' energy: -177.352 flat angles C4'-P-C4' energy: -184.989 flat angles P-C4'-P energy: -109.625 tors. eta vs tors. theta energy: -202.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2262.867317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.867317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.867317 (E_RNA) where: Base-Base interactions energy: -1491.891 where: short stacking energy: -673.316 Base-Backbone interact. energy: -6.247 local terms energy: -764.729334 where: bonds (distance) C4'-P energy: -136.241 bonds (distance) P-C4' energy: -172.362 flat angles C4'-P-C4' energy: -192.143 flat angles P-C4'-P energy: -90.474 tors. eta vs tors. theta energy: -173.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1999.383376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.383376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.383376 (E_RNA) where: Base-Base interactions energy: -1296.203 where: short stacking energy: -586.421 Base-Backbone interact. energy: 3.604 local terms energy: -706.783890 where: bonds (distance) C4'-P energy: -158.629 bonds (distance) P-C4' energy: -149.682 flat angles C4'-P-C4' energy: -181.460 flat angles P-C4'-P energy: -85.194 tors. eta vs tors. theta energy: -131.818 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: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1792.173141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.173141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.173141 (E_RNA) where: Base-Base interactions energy: -1117.475 where: short stacking energy: -516.740 Base-Backbone interact. energy: 0.719 local terms energy: -675.417552 where: bonds (distance) C4'-P energy: -137.103 bonds (distance) P-C4' energy: -168.176 flat angles C4'-P-C4' energy: -156.098 flat angles P-C4'-P energy: -109.093 tors. eta vs tors. theta energy: -104.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1119.555674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.555674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.555674 (E_RNA) where: Base-Base interactions energy: -600.449 where: short stacking energy: -322.183 Base-Backbone interact. energy: 3.430 local terms energy: -522.535858 where: bonds (distance) C4'-P energy: -135.559 bonds (distance) P-C4' energy: -150.840 flat angles C4'-P-C4' energy: -137.116 flat angles P-C4'-P energy: -74.630 tors. eta vs tors. theta energy: -24.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -751.802265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.802265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.802265 (E_RNA) where: Base-Base interactions energy: -295.712 where: short stacking energy: -193.922 Base-Backbone interact. energy: 0.231 local terms energy: -456.321885 where: bonds (distance) C4'-P energy: -157.946 bonds (distance) P-C4' energy: -171.941 flat angles C4'-P-C4' energy: -97.927 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: 39.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3047.028277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.028277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.028277 (E_RNA) where: Base-Base interactions energy: -2081.166 where: short stacking energy: -901.983 Base-Backbone interact. energy: -1.571 local terms energy: -964.291217 where: bonds (distance) C4'-P energy: -164.507 bonds (distance) P-C4' energy: -195.436 flat angles C4'-P-C4' energy: -203.614 flat angles P-C4'-P energy: -138.846 tors. eta vs tors. theta energy: -261.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -3001.842838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.842838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.842838 (E_RNA) where: Base-Base interactions energy: -2016.963 where: short stacking energy: -934.698 Base-Backbone interact. energy: -3.620 local terms energy: -981.260239 where: bonds (distance) C4'-P energy: -178.005 bonds (distance) P-C4' energy: -175.743 flat angles C4'-P-C4' energy: -206.593 flat angles P-C4'-P energy: -145.978 tors. eta vs tors. theta energy: -274.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2785.920620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.920620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.920620 (E_RNA) where: Base-Base interactions energy: -1873.496 where: short stacking energy: -860.479 Base-Backbone interact. energy: -1.073 local terms energy: -911.351358 where: bonds (distance) C4'-P energy: -172.441 bonds (distance) P-C4' energy: -161.681 flat angles C4'-P-C4' energy: -203.187 flat angles P-C4'-P energy: -139.649 tors. eta vs tors. theta energy: -234.394 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: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2757.068882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.068882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.068882 (E_RNA) where: Base-Base interactions energy: -1854.916 where: short stacking energy: -828.421 Base-Backbone interact. energy: -3.525 local terms energy: -898.628034 where: bonds (distance) C4'-P energy: -167.204 bonds (distance) P-C4' energy: -166.602 flat angles C4'-P-C4' energy: -193.244 flat angles P-C4'-P energy: -133.944 tors. eta vs tors. theta energy: -237.634 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: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2480.907492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.907492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.907492 (E_RNA) where: Base-Base interactions energy: -1657.934 where: short stacking energy: -718.889 Base-Backbone interact. energy: 4.266 local terms energy: -827.239715 where: bonds (distance) C4'-P energy: -161.447 bonds (distance) P-C4' energy: -173.731 flat angles C4'-P-C4' energy: -174.455 flat angles P-C4'-P energy: -115.541 tors. eta vs tors. theta energy: -202.066 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: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2266.217324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.217324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.217324 (E_RNA) where: Base-Base interactions energy: -1506.811 where: short stacking energy: -657.897 Base-Backbone interact. energy: -2.737 local terms energy: -756.668800 where: bonds (distance) C4'-P energy: -164.198 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -164.857 flat angles P-C4'-P energy: -105.184 tors. eta vs tors. theta energy: -170.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1994.310280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.310280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.310280 (E_RNA) where: Base-Base interactions energy: -1296.777 where: short stacking energy: -599.000 Base-Backbone interact. energy: 0.093 local terms energy: -697.625921 where: bonds (distance) C4'-P energy: -152.012 bonds (distance) P-C4' energy: -156.198 flat angles C4'-P-C4' energy: -163.194 flat angles P-C4'-P energy: -82.748 tors. eta vs tors. theta energy: -143.473 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: 281 Temperature: 1.250000 Total energy: -1717.531312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.531312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.531312 (E_RNA) where: Base-Base interactions energy: -1104.182 where: short stacking energy: -490.463 Base-Backbone interact. energy: -2.777 local terms energy: -610.573097 where: bonds (distance) C4'-P energy: -145.661 bonds (distance) P-C4' energy: -135.266 flat angles C4'-P-C4' energy: -137.144 flat angles P-C4'-P energy: -97.244 tors. eta vs tors. theta energy: -95.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1175.228885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.228885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.228885 (E_RNA) where: Base-Base interactions energy: -642.760 where: short stacking energy: -356.926 Base-Backbone interact. energy: 3.538 local terms energy: -536.006340 where: bonds (distance) C4'-P energy: -145.208 bonds (distance) P-C4' energy: -144.877 flat angles C4'-P-C4' energy: -156.615 flat angles P-C4'-P energy: -69.425 tors. eta vs tors. theta energy: -19.881 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: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -737.763873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.763873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.763873 (E_RNA) where: Base-Base interactions energy: -264.769 where: short stacking energy: -195.959 Base-Backbone interact. energy: 5.501 local terms energy: -478.496536 where: bonds (distance) C4'-P energy: -138.278 bonds (distance) P-C4' energy: -171.265 flat angles C4'-P-C4' energy: -124.028 flat angles P-C4'-P energy: -75.815 tors. eta vs tors. theta energy: 30.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3080.903415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.903415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.903415 (E_RNA) where: Base-Base interactions energy: -2095.813 where: short stacking energy: -917.321 Base-Backbone interact. energy: -2.436 local terms energy: -982.654246 where: bonds (distance) C4'-P energy: -184.615 bonds (distance) P-C4' energy: -190.131 flat angles C4'-P-C4' energy: -210.759 flat angles P-C4'-P energy: -139.155 tors. eta vs tors. theta energy: -257.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2990.646303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.646303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.646303 (E_RNA) where: Base-Base interactions energy: -2010.120 where: short stacking energy: -946.152 Base-Backbone interact. energy: -3.158 local terms energy: -977.367900 where: bonds (distance) C4'-P energy: -174.562 bonds (distance) P-C4' energy: -180.992 flat angles C4'-P-C4' energy: -194.075 flat angles P-C4'-P energy: -144.113 tors. eta vs tors. theta energy: -283.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2792.578328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.578328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.578328 (E_RNA) where: Base-Base interactions energy: -1873.234 where: short stacking energy: -841.173 Base-Backbone interact. energy: -1.054 local terms energy: -918.289942 where: bonds (distance) C4'-P energy: -184.452 bonds (distance) P-C4' energy: -176.567 flat angles C4'-P-C4' energy: -196.047 flat angles P-C4'-P energy: -126.720 tors. eta vs tors. theta energy: -234.505 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: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2691.540050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.540050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.540050 (E_RNA) where: Base-Base interactions energy: -1810.002 where: short stacking energy: -785.418 Base-Backbone interact. energy: -1.670 local terms energy: -879.868665 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -173.747 flat angles C4'-P-C4' energy: -196.292 flat angles P-C4'-P energy: -135.425 tors. eta vs tors. theta energy: -226.725 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: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2517.391466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.391466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.391466 (E_RNA) where: Base-Base interactions energy: -1686.730 where: short stacking energy: -775.381 Base-Backbone interact. energy: -1.173 local terms energy: -829.488472 where: bonds (distance) C4'-P energy: -149.758 bonds (distance) P-C4' energy: -155.393 flat angles C4'-P-C4' energy: -185.190 flat angles P-C4'-P energy: -119.152 tors. eta vs tors. theta energy: -219.995 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: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2215.698420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.698420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.698420 (E_RNA) where: Base-Base interactions energy: -1479.175 where: short stacking energy: -712.083 Base-Backbone interact. energy: -0.202 local terms energy: -736.321164 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -165.596 flat angles C4'-P-C4' energy: -139.215 flat angles P-C4'-P energy: -106.597 tors. eta vs tors. theta energy: -190.011 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: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2048.322390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.322390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.322390 (E_RNA) where: Base-Base interactions energy: -1293.688 where: short stacking energy: -603.524 Base-Backbone interact. energy: -0.485 local terms energy: -754.149770 where: bonds (distance) C4'-P energy: -149.825 bonds (distance) P-C4' energy: -164.449 flat angles C4'-P-C4' energy: -182.315 flat angles P-C4'-P energy: -102.322 tors. eta vs tors. theta energy: -155.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1624.109632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.109632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.109632 (E_RNA) where: Base-Base interactions energy: -988.253 where: short stacking energy: -475.247 Base-Backbone interact. energy: 0.704 local terms energy: -636.560966 where: bonds (distance) C4'-P energy: -130.966 bonds (distance) P-C4' energy: -148.762 flat angles C4'-P-C4' energy: -146.295 flat angles P-C4'-P energy: -105.389 tors. eta vs tors. theta energy: -105.148 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: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1166.114382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.114382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.114382 (E_RNA) where: Base-Base interactions energy: -629.395 where: short stacking energy: -341.711 Base-Backbone interact. energy: -2.683 local terms energy: -534.036746 where: bonds (distance) C4'-P energy: -146.049 bonds (distance) P-C4' energy: -160.583 flat angles C4'-P-C4' energy: -134.408 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -20.780 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: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -775.461444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.461444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.461444 (E_RNA) where: Base-Base interactions energy: -291.640 where: short stacking energy: -193.727 Base-Backbone interact. energy: 2.249 local terms energy: -486.070672 where: bonds (distance) C4'-P energy: -140.863 bonds (distance) P-C4' energy: -146.783 flat angles C4'-P-C4' energy: -139.715 flat angles P-C4'-P energy: -69.012 tors. eta vs tors. theta energy: 10.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3083.196186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.196186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.196186 (E_RNA) where: Base-Base interactions energy: -2104.472 where: short stacking energy: -916.880 Base-Backbone interact. energy: -3.876 local terms energy: -974.848426 where: bonds (distance) C4'-P energy: -185.106 bonds (distance) P-C4' energy: -181.939 flat angles C4'-P-C4' energy: -218.905 flat angles P-C4'-P energy: -126.905 tors. eta vs tors. theta energy: -261.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2995.740971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.740971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.740971 (E_RNA) where: Base-Base interactions energy: -2024.126 where: short stacking energy: -944.124 Base-Backbone interact. energy: -2.294 local terms energy: -969.321393 where: bonds (distance) C4'-P energy: -167.926 bonds (distance) P-C4' energy: -169.217 flat angles C4'-P-C4' energy: -216.020 flat angles P-C4'-P energy: -149.516 tors. eta vs tors. theta energy: -266.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2779.313193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.313193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.313193 (E_RNA) where: Base-Base interactions energy: -1891.719 where: short stacking energy: -852.503 Base-Backbone interact. energy: 2.266 local terms energy: -889.860283 where: bonds (distance) C4'-P energy: -163.675 bonds (distance) P-C4' energy: -185.282 flat angles C4'-P-C4' energy: -197.593 flat angles P-C4'-P energy: -118.607 tors. eta vs tors. theta energy: -224.703 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: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2697.909773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.909773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.909773 (E_RNA) where: Base-Base interactions energy: -1811.745 where: short stacking energy: -822.043 Base-Backbone interact. energy: -2.365 local terms energy: -883.799432 where: bonds (distance) C4'-P energy: -172.126 bonds (distance) P-C4' energy: -169.522 flat angles C4'-P-C4' energy: -194.666 flat angles P-C4'-P energy: -124.702 tors. eta vs tors. theta energy: -222.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2549.940846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.940846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.940846 (E_RNA) where: Base-Base interactions energy: -1711.603 where: short stacking energy: -804.227 Base-Backbone interact. energy: 0.069 local terms energy: -838.406777 where: bonds (distance) C4'-P energy: -137.160 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -194.809 flat angles P-C4'-P energy: -131.442 tors. eta vs tors. theta energy: -228.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2215.449245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.449245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.449245 (E_RNA) where: Base-Base interactions energy: -1448.858 where: short stacking energy: -717.761 Base-Backbone interact. energy: -2.386 local terms energy: -764.204795 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -156.741 flat angles C4'-P-C4' energy: -172.852 flat angles P-C4'-P energy: -104.564 tors. eta vs tors. theta energy: -181.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1968.919131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.919131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.919131 (E_RNA) where: Base-Base interactions energy: -1271.913 where: short stacking energy: -612.584 Base-Backbone interact. energy: -3.923 local terms energy: -693.083322 where: bonds (distance) C4'-P energy: -131.370 bonds (distance) P-C4' energy: -143.199 flat angles C4'-P-C4' energy: -175.978 flat angles P-C4'-P energy: -102.779 tors. eta vs tors. theta energy: -139.758 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: 283 Temperature: 1.250000 Total energy: -1667.540085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.540085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.540085 (E_RNA) where: Base-Base interactions energy: -997.745 where: short stacking energy: -466.233 Base-Backbone interact. energy: 4.007 local terms energy: -673.801411 where: bonds (distance) C4'-P energy: -140.849 bonds (distance) P-C4' energy: -174.732 flat angles C4'-P-C4' energy: -149.598 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -104.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1156.537038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.537038 (E_RNA) where: Base-Base interactions energy: -622.908 where: short stacking energy: -314.878 Base-Backbone interact. energy: -3.159 local terms energy: -530.470072 where: bonds (distance) C4'-P energy: -144.716 bonds (distance) P-C4' energy: -158.062 flat angles C4'-P-C4' energy: -126.148 flat angles P-C4'-P energy: -76.498 tors. eta vs tors. theta energy: -25.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -787.932430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.932430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.932430 (E_RNA) where: Base-Base interactions energy: -303.272 where: short stacking energy: -219.358 Base-Backbone interact. energy: 6.600 local terms energy: -491.260603 where: bonds (distance) C4'-P energy: -134.891 bonds (distance) P-C4' energy: -175.845 flat angles C4'-P-C4' energy: -125.717 flat angles P-C4'-P energy: -66.250 tors. eta vs tors. theta energy: 11.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3133.365128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.365128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.365128 (E_RNA) where: Base-Base interactions energy: -2130.014 where: short stacking energy: -933.348 Base-Backbone interact. energy: -5.852 local terms energy: -997.498912 where: bonds (distance) C4'-P energy: -195.509 bonds (distance) P-C4' energy: -178.150 flat angles C4'-P-C4' energy: -212.955 flat angles P-C4'-P energy: -144.205 tors. eta vs tors. theta energy: -266.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2965.155089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.155089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.155089 (E_RNA) where: Base-Base interactions energy: -1995.563 where: short stacking energy: -919.148 Base-Backbone interact. energy: -1.651 local terms energy: -967.941027 where: bonds (distance) C4'-P energy: -177.850 bonds (distance) P-C4' energy: -193.969 flat angles C4'-P-C4' energy: -200.083 flat angles P-C4'-P energy: -128.644 tors. eta vs tors. theta energy: -267.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2770.290201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.290201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.290201 (E_RNA) where: Base-Base interactions energy: -1870.230 where: short stacking energy: -853.044 Base-Backbone interact. energy: -0.141 local terms energy: -899.918877 where: bonds (distance) C4'-P energy: -168.495 bonds (distance) P-C4' energy: -168.461 flat angles C4'-P-C4' energy: -201.334 flat angles P-C4'-P energy: -128.153 tors. eta vs tors. theta energy: -233.476 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: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2696.560990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.560990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.560990 (E_RNA) where: Base-Base interactions energy: -1814.298 where: short stacking energy: -809.315 Base-Backbone interact. energy: -4.187 local terms energy: -878.076003 where: bonds (distance) C4'-P energy: -145.263 bonds (distance) P-C4' energy: -171.298 flat angles C4'-P-C4' energy: -197.680 flat angles P-C4'-P energy: -132.459 tors. eta vs tors. theta energy: -231.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2551.186272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.186272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.186272 (E_RNA) where: Base-Base interactions energy: -1725.367 where: short stacking energy: -773.886 Base-Backbone interact. energy: -0.916 local terms energy: -824.903642 where: bonds (distance) C4'-P energy: -161.281 bonds (distance) P-C4' energy: -146.103 flat angles C4'-P-C4' energy: -184.322 flat angles P-C4'-P energy: -106.582 tors. eta vs tors. theta energy: -226.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2242.800458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.800458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.800458 (E_RNA) where: Base-Base interactions energy: -1457.208 where: short stacking energy: -655.401 Base-Backbone interact. energy: -4.029 local terms energy: -781.563386 where: bonds (distance) C4'-P energy: -143.688 bonds (distance) P-C4' energy: -174.235 flat angles C4'-P-C4' energy: -176.868 flat angles P-C4'-P energy: -116.241 tors. eta vs tors. theta energy: -170.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2048.745895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.745895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.745895 (E_RNA) where: Base-Base interactions energy: -1302.857 where: short stacking energy: -630.562 Base-Backbone interact. energy: -2.390 local terms energy: -743.499071 where: bonds (distance) C4'-P energy: -153.734 bonds (distance) P-C4' energy: -147.800 flat angles C4'-P-C4' energy: -186.623 flat angles P-C4'-P energy: -106.328 tors. eta vs tors. theta energy: -149.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1581.441327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.441327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.441327 (E_RNA) where: Base-Base interactions energy: -917.385 where: short stacking energy: -433.465 Base-Backbone interact. energy: -1.668 local terms energy: -662.387987 where: bonds (distance) C4'-P energy: -170.471 bonds (distance) P-C4' energy: -160.970 flat angles C4'-P-C4' energy: -147.270 flat angles P-C4'-P energy: -103.621 tors. eta vs tors. theta energy: -80.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1095.233922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.233922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.233922 (E_RNA) where: Base-Base interactions energy: -569.037 where: short stacking energy: -295.616 Base-Backbone interact. energy: 4.935 local terms energy: -531.131346 where: bonds (distance) C4'-P energy: -133.567 bonds (distance) P-C4' energy: -155.149 flat angles C4'-P-C4' energy: -137.378 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -11.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -767.868618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.868618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.868618 (E_RNA) where: Base-Base interactions energy: -300.772 where: short stacking energy: -166.206 Base-Backbone interact. energy: 2.150 local terms energy: -469.245942 where: bonds (distance) C4'-P energy: -172.905 bonds (distance) P-C4' energy: -169.781 flat angles C4'-P-C4' energy: -124.333 flat angles P-C4'-P energy: -53.152 tors. eta vs tors. theta energy: 50.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3066.416619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.416619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.416619 (E_RNA) where: Base-Base interactions energy: -2098.442 where: short stacking energy: -931.247 Base-Backbone interact. energy: 0.086 local terms energy: -968.060757 where: bonds (distance) C4'-P energy: -170.225 bonds (distance) P-C4' energy: -175.178 flat angles C4'-P-C4' energy: -215.454 flat angles P-C4'-P energy: -137.777 tors. eta vs tors. theta energy: -269.426 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: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2997.433978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.433978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.433978 (E_RNA) where: Base-Base interactions energy: -2040.501 where: short stacking energy: -916.776 Base-Backbone interact. energy: 2.033 local terms energy: -958.966110 where: bonds (distance) C4'-P energy: -166.727 bonds (distance) P-C4' energy: -197.491 flat angles C4'-P-C4' energy: -206.857 flat angles P-C4'-P energy: -123.847 tors. eta vs tors. theta energy: -264.044 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: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2775.643664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.643664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.643664 (E_RNA) where: Base-Base interactions energy: -1866.574 where: short stacking energy: -843.845 Base-Backbone interact. energy: 2.892 local terms energy: -911.961256 where: bonds (distance) C4'-P energy: -163.228 bonds (distance) P-C4' energy: -186.276 flat angles C4'-P-C4' energy: -203.349 flat angles P-C4'-P energy: -124.538 tors. eta vs tors. theta energy: -234.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2759.293031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.293031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.293031 (E_RNA) where: Base-Base interactions energy: -1862.099 where: short stacking energy: -855.262 Base-Backbone interact. energy: 2.659 local terms energy: -899.853246 where: bonds (distance) C4'-P energy: -161.805 bonds (distance) P-C4' energy: -162.346 flat angles C4'-P-C4' energy: -197.761 flat angles P-C4'-P energy: -128.638 tors. eta vs tors. theta energy: -249.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2528.681267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.681267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.681267 (E_RNA) where: Base-Base interactions energy: -1674.013 where: short stacking energy: -755.940 Base-Backbone interact. energy: -4.726 local terms energy: -849.942520 where: bonds (distance) C4'-P energy: -193.482 bonds (distance) P-C4' energy: -165.766 flat angles C4'-P-C4' energy: -172.549 flat angles P-C4'-P energy: -107.396 tors. eta vs tors. theta energy: -210.749 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: 3 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2241.847654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.847654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.847654 (E_RNA) where: Base-Base interactions energy: -1486.775 where: short stacking energy: -659.124 Base-Backbone interact. energy: -2.861 local terms energy: -752.211793 where: bonds (distance) C4'-P energy: -128.184 bonds (distance) P-C4' energy: -166.414 flat angles C4'-P-C4' energy: -172.642 flat angles P-C4'-P energy: -116.592 tors. eta vs tors. theta energy: -168.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1987.724873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.724873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.724873 (E_RNA) where: Base-Base interactions energy: -1226.084 where: short stacking energy: -570.919 Base-Backbone interact. energy: -3.498 local terms energy: -758.142849 where: bonds (distance) C4'-P energy: -154.367 bonds (distance) P-C4' energy: -185.364 flat angles C4'-P-C4' energy: -169.979 flat angles P-C4'-P energy: -100.417 tors. eta vs tors. theta energy: -148.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1535.847127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.847127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.847127 (E_RNA) where: Base-Base interactions energy: -917.461 where: short stacking energy: -442.188 Base-Backbone interact. energy: 2.215 local terms energy: -620.600856 where: bonds (distance) C4'-P energy: -163.210 bonds (distance) P-C4' energy: -158.746 flat angles C4'-P-C4' energy: -149.544 flat angles P-C4'-P energy: -95.512 tors. eta vs tors. theta energy: -53.588 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: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1069.563209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.563209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.563209 (E_RNA) where: Base-Base interactions energy: -524.473 where: short stacking energy: -283.108 Base-Backbone interact. energy: 1.705 local terms energy: -546.795862 where: bonds (distance) C4'-P energy: -146.015 bonds (distance) P-C4' energy: -149.092 flat angles C4'-P-C4' energy: -152.815 flat angles P-C4'-P energy: -86.102 tors. eta vs tors. theta energy: -12.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -727.248671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.248671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.248671 (E_RNA) where: Base-Base interactions energy: -322.921 where: short stacking energy: -229.404 Base-Backbone interact. energy: 8.125 local terms energy: -412.452897 where: bonds (distance) C4'-P energy: -144.443 bonds (distance) P-C4' energy: -117.435 flat angles C4'-P-C4' energy: -126.825 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: 36.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3074.685014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.685014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.685014 (E_RNA) where: Base-Base interactions energy: -2081.883 where: short stacking energy: -903.732 Base-Backbone interact. energy: -10.909 local terms energy: -981.893034 where: bonds (distance) C4'-P energy: -189.125 bonds (distance) P-C4' energy: -173.714 flat angles C4'-P-C4' energy: -211.916 flat angles P-C4'-P energy: -139.113 tors. eta vs tors. theta energy: -268.025 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: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -3027.604736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.604736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.604736 (E_RNA) where: Base-Base interactions energy: -2046.600 where: short stacking energy: -921.363 Base-Backbone interact. energy: -2.411 local terms energy: -978.593017 where: bonds (distance) C4'-P energy: -185.513 bonds (distance) P-C4' energy: -161.246 flat angles C4'-P-C4' energy: -222.809 flat angles P-C4'-P energy: -135.460 tors. eta vs tors. theta energy: -273.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2835.793777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.793777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.793777 (E_RNA) where: Base-Base interactions energy: -1892.249 where: short stacking energy: -865.940 Base-Backbone interact. energy: -7.301 local terms energy: -936.244059 where: bonds (distance) C4'-P energy: -148.242 bonds (distance) P-C4' energy: -185.207 flat angles C4'-P-C4' energy: -197.483 flat angles P-C4'-P energy: -135.528 tors. eta vs tors. theta energy: -269.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2655.949759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.949759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.949759 (E_RNA) where: Base-Base interactions energy: -1821.480 where: short stacking energy: -789.793 Base-Backbone interact. energy: 1.066 local terms energy: -835.534986 where: bonds (distance) C4'-P energy: -153.271 bonds (distance) P-C4' energy: -165.220 flat angles C4'-P-C4' energy: -186.296 flat angles P-C4'-P energy: -121.272 tors. eta vs tors. theta energy: -209.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2529.311002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.311002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.311002 (E_RNA) where: Base-Base interactions energy: -1657.896 where: short stacking energy: -767.934 Base-Backbone interact. energy: -2.767 local terms energy: -868.647608 where: bonds (distance) C4'-P energy: -159.823 bonds (distance) P-C4' energy: -179.668 flat angles C4'-P-C4' energy: -193.348 flat angles P-C4'-P energy: -108.822 tors. eta vs tors. theta energy: -226.986 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: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2287.903246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.903246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.903246 (E_RNA) where: Base-Base interactions energy: -1481.774 where: short stacking energy: -671.847 Base-Backbone interact. energy: -1.235 local terms energy: -804.894054 where: bonds (distance) C4'-P energy: -162.957 bonds (distance) P-C4' energy: -160.177 flat angles C4'-P-C4' energy: -187.959 flat angles P-C4'-P energy: -125.662 tors. eta vs tors. theta energy: -168.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2089.914508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.914508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.914508 (E_RNA) where: Base-Base interactions energy: -1372.596 where: short stacking energy: -619.697 Base-Backbone interact. energy: -2.886 local terms energy: -714.432698 where: bonds (distance) C4'-P energy: -130.981 bonds (distance) P-C4' energy: -161.774 flat angles C4'-P-C4' energy: -169.244 flat angles P-C4'-P energy: -102.994 tors. eta vs tors. theta energy: -149.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1560.086122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.086122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.086122 (E_RNA) where: Base-Base interactions energy: -903.993 where: short stacking energy: -484.757 Base-Backbone interact. energy: -3.156 local terms energy: -652.936942 where: bonds (distance) C4'-P energy: -141.932 bonds (distance) P-C4' energy: -176.929 flat angles C4'-P-C4' energy: -173.086 flat angles P-C4'-P energy: -75.212 tors. eta vs tors. theta energy: -85.778 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: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1073.637085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.637085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.637085 (E_RNA) where: Base-Base interactions energy: -550.754 where: short stacking energy: -301.103 Base-Backbone interact. energy: 6.407 local terms energy: -529.290673 where: bonds (distance) C4'-P energy: -154.802 bonds (distance) P-C4' energy: -160.571 flat angles C4'-P-C4' energy: -132.550 flat angles P-C4'-P energy: -68.539 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: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -706.617985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.617985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.617985 (E_RNA) where: Base-Base interactions energy: -313.633 where: short stacking energy: -232.613 Base-Backbone interact. energy: 0.380 local terms energy: -393.364605 where: bonds (distance) C4'-P energy: -122.137 bonds (distance) P-C4' energy: -144.303 flat angles C4'-P-C4' energy: -96.520 flat angles P-C4'-P energy: -62.494 tors. eta vs tors. theta energy: 32.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3069.717351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.717351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.717351 (E_RNA) where: Base-Base interactions energy: -2087.399 where: short stacking energy: -925.419 Base-Backbone interact. energy: -2.103 local terms energy: -980.215518 where: bonds (distance) C4'-P energy: -181.241 bonds (distance) P-C4' energy: -198.668 flat angles C4'-P-C4' energy: -207.637 flat angles P-C4'-P energy: -127.102 tors. eta vs tors. theta energy: -265.568 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: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -3025.603123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.603123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.603123 (E_RNA) where: Base-Base interactions energy: -2051.651 where: short stacking energy: -916.424 Base-Backbone interact. energy: -2.442 local terms energy: -971.510553 where: bonds (distance) C4'-P energy: -176.188 bonds (distance) P-C4' energy: -195.195 flat angles C4'-P-C4' energy: -209.604 flat angles P-C4'-P energy: -128.497 tors. eta vs tors. theta energy: -262.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2834.476573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.476573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.476573 (E_RNA) where: Base-Base interactions energy: -1892.965 where: short stacking energy: -863.693 Base-Backbone interact. energy: -1.069 local terms energy: -940.441705 where: bonds (distance) C4'-P energy: -180.596 bonds (distance) P-C4' energy: -180.836 flat angles C4'-P-C4' energy: -196.166 flat angles P-C4'-P energy: -135.815 tors. eta vs tors. theta energy: -247.028 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: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2695.925676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.925676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.925676 (E_RNA) where: Base-Base interactions energy: -1801.477 where: short stacking energy: -769.326 Base-Backbone interact. energy: -0.607 local terms energy: -893.841680 where: bonds (distance) C4'-P energy: -165.657 bonds (distance) P-C4' energy: -160.736 flat angles C4'-P-C4' energy: -213.327 flat angles P-C4'-P energy: -141.654 tors. eta vs tors. theta energy: -212.467 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: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2554.661427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.661427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.661427 (E_RNA) where: Base-Base interactions energy: -1714.599 where: short stacking energy: -801.392 Base-Backbone interact. energy: -3.147 local terms energy: -836.915263 where: bonds (distance) C4'-P energy: -149.671 bonds (distance) P-C4' energy: -156.801 flat angles C4'-P-C4' energy: -183.517 flat angles P-C4'-P energy: -122.344 tors. eta vs tors. theta energy: -224.582 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: 6, replica: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2225.541690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.541690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.541690 (E_RNA) where: Base-Base interactions energy: -1454.984 where: short stacking energy: -684.969 Base-Backbone interact. energy: -0.787 local terms energy: -769.771201 where: bonds (distance) C4'-P energy: -145.276 bonds (distance) P-C4' energy: -136.032 flat angles C4'-P-C4' energy: -185.435 flat angles P-C4'-P energy: -120.944 tors. eta vs tors. theta energy: -182.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2037.162564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.162564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.162564 (E_RNA) where: Base-Base interactions energy: -1340.807 where: short stacking energy: -617.188 Base-Backbone interact. energy: 0.707 local terms energy: -697.061881 where: bonds (distance) C4'-P energy: -147.620 bonds (distance) P-C4' energy: -148.381 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -88.622 tors. eta vs tors. theta energy: -148.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1577.522501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.522501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.522501 (E_RNA) where: Base-Base interactions energy: -921.064 where: short stacking energy: -508.409 Base-Backbone interact. energy: -4.517 local terms energy: -651.941997 where: bonds (distance) C4'-P energy: -136.548 bonds (distance) P-C4' energy: -149.178 flat angles C4'-P-C4' energy: -160.313 flat angles P-C4'-P energy: -95.269 tors. eta vs tors. theta energy: -110.633 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: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1052.891154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.891154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.891154 (E_RNA) where: Base-Base interactions energy: -531.826 where: short stacking energy: -316.919 Base-Backbone interact. energy: 0.562 local terms energy: -521.627142 where: bonds (distance) C4'-P energy: -132.848 bonds (distance) P-C4' energy: -150.437 flat angles C4'-P-C4' energy: -137.593 flat angles P-C4'-P energy: -87.208 tors. eta vs tors. theta energy: -13.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -685.499893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.499893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.499893 (E_RNA) where: Base-Base interactions energy: -262.968 where: short stacking energy: -215.911 Base-Backbone interact. energy: 1.654 local terms energy: -424.186591 where: bonds (distance) C4'-P energy: -134.692 bonds (distance) P-C4' energy: -144.528 flat angles C4'-P-C4' energy: -121.750 flat angles P-C4'-P energy: -63.449 tors. eta vs tors. theta energy: 40.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3087.454243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.454243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.454243 (E_RNA) where: Base-Base interactions energy: -2121.487 where: short stacking energy: -951.360 Base-Backbone interact. energy: -2.397 local terms energy: -963.570159 where: bonds (distance) C4'-P energy: -182.922 bonds (distance) P-C4' energy: -178.757 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -134.378 tors. eta vs tors. theta energy: -269.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -3004.139740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.139740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.139740 (E_RNA) where: Base-Base interactions energy: -2052.529 where: short stacking energy: -911.482 Base-Backbone interact. energy: -0.416 local terms energy: -951.194591 where: bonds (distance) C4'-P energy: -165.055 bonds (distance) P-C4' energy: -175.637 flat angles C4'-P-C4' energy: -204.215 flat angles P-C4'-P energy: -135.700 tors. eta vs tors. theta energy: -270.587 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: 288 Temperature: 1.000000 Total energy: -2806.978711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.978711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.978711 (E_RNA) where: Base-Base interactions energy: -1888.461 where: short stacking energy: -876.669 Base-Backbone interact. energy: -2.092 local terms energy: -916.424996 where: bonds (distance) C4'-P energy: -172.307 bonds (distance) P-C4' energy: -174.663 flat angles C4'-P-C4' energy: -195.471 flat angles P-C4'-P energy: -133.355 tors. eta vs tors. theta energy: -240.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2679.729439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.729439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.729439 (E_RNA) where: Base-Base interactions energy: -1831.398 where: short stacking energy: -802.556 Base-Backbone interact. energy: 1.392 local terms energy: -849.723615 where: bonds (distance) C4'-P energy: -161.393 bonds (distance) P-C4' energy: -164.948 flat angles C4'-P-C4' energy: -194.539 flat angles P-C4'-P energy: -117.982 tors. eta vs tors. theta energy: -210.862 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: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2551.173256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.173256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.173256 (E_RNA) where: Base-Base interactions energy: -1691.607 where: short stacking energy: -789.925 Base-Backbone interact. energy: -0.394 local terms energy: -859.172650 where: bonds (distance) C4'-P energy: -157.941 bonds (distance) P-C4' energy: -153.872 flat angles C4'-P-C4' energy: -193.494 flat angles P-C4'-P energy: -115.126 tors. eta vs tors. theta energy: -238.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2253.389734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.389734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.389734 (E_RNA) where: Base-Base interactions energy: -1475.172 where: short stacking energy: -707.227 Base-Backbone interact. energy: -0.254 local terms energy: -777.963582 where: bonds (distance) C4'-P energy: -147.938 bonds (distance) P-C4' energy: -156.542 flat angles C4'-P-C4' energy: -169.875 flat angles P-C4'-P energy: -110.502 tors. eta vs tors. theta energy: -193.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2078.700775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.700775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.700775 (E_RNA) where: Base-Base interactions energy: -1380.756 where: short stacking energy: -610.127 Base-Backbone interact. energy: 4.997 local terms energy: -702.941349 where: bonds (distance) C4'-P energy: -162.498 bonds (distance) P-C4' energy: -146.693 flat angles C4'-P-C4' energy: -161.826 flat angles P-C4'-P energy: -88.970 tors. eta vs tors. theta energy: -142.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1577.446457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.446457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.446457 (E_RNA) where: Base-Base interactions energy: -967.208 where: short stacking energy: -471.812 Base-Backbone interact. energy: 2.258 local terms energy: -612.495929 where: bonds (distance) C4'-P energy: -144.521 bonds (distance) P-C4' energy: -128.995 flat angles C4'-P-C4' energy: -145.142 flat angles P-C4'-P energy: -100.815 tors. eta vs tors. theta energy: -93.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1002.965430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.965430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.965430 (E_RNA) where: Base-Base interactions energy: -523.743 where: short stacking energy: -279.180 Base-Backbone interact. energy: 0.902 local terms energy: -480.124150 where: bonds (distance) C4'-P energy: -127.839 bonds (distance) P-C4' energy: -155.290 flat angles C4'-P-C4' energy: -143.825 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: 29.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -683.283846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.283846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.283846 (E_RNA) where: Base-Base interactions energy: -259.041 where: short stacking energy: -204.407 Base-Backbone interact. energy: 14.639 local terms energy: -438.881748 where: bonds (distance) C4'-P energy: -137.412 bonds (distance) P-C4' energy: -153.098 flat angles C4'-P-C4' energy: -124.599 flat angles P-C4'-P energy: -67.661 tors. eta vs tors. theta energy: 43.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3100.101580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.101580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.101580 (E_RNA) where: Base-Base interactions energy: -2099.567 where: short stacking energy: -931.090 Base-Backbone interact. energy: -2.645 local terms energy: -997.890350 where: bonds (distance) C4'-P energy: -185.288 bonds (distance) P-C4' energy: -198.658 flat angles C4'-P-C4' energy: -207.914 flat angles P-C4'-P energy: -138.565 tors. eta vs tors. theta energy: -267.466 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2984.305054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.305054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.305054 (E_RNA) where: Base-Base interactions energy: -2001.217 where: short stacking energy: -900.775 Base-Backbone interact. energy: -1.280 local terms energy: -981.808722 where: bonds (distance) C4'-P energy: -187.890 bonds (distance) P-C4' energy: -193.489 flat angles C4'-P-C4' energy: -210.782 flat angles P-C4'-P energy: -129.153 tors. eta vs tors. theta energy: -260.494 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: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2809.945880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.945880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.945880 (E_RNA) where: Base-Base interactions energy: -1898.728 where: short stacking energy: -854.666 Base-Backbone interact. energy: -2.396 local terms energy: -908.822164 where: bonds (distance) C4'-P energy: -179.017 bonds (distance) P-C4' energy: -177.070 flat angles C4'-P-C4' energy: -201.526 flat angles P-C4'-P energy: -115.811 tors. eta vs tors. theta energy: -235.398 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: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2662.812755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.812755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.812755 (E_RNA) where: Base-Base interactions energy: -1832.245 where: short stacking energy: -801.591 Base-Backbone interact. energy: -3.364 local terms energy: -827.203778 where: bonds (distance) C4'-P energy: -161.276 bonds (distance) P-C4' energy: -152.498 flat angles C4'-P-C4' energy: -174.751 flat angles P-C4'-P energy: -126.199 tors. eta vs tors. theta energy: -212.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2491.909575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.909575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.909575 (E_RNA) where: Base-Base interactions energy: -1641.207 where: short stacking energy: -756.660 Base-Backbone interact. energy: -1.238 local terms energy: -849.464352 where: bonds (distance) C4'-P energy: -165.877 bonds (distance) P-C4' energy: -162.008 flat angles C4'-P-C4' energy: -187.257 flat angles P-C4'-P energy: -119.120 tors. eta vs tors. theta energy: -215.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2217.206430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.206430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.206430 (E_RNA) where: Base-Base interactions energy: -1415.216 where: short stacking energy: -668.139 Base-Backbone interact. energy: -3.643 local terms energy: -798.348101 where: bonds (distance) C4'-P energy: -150.841 bonds (distance) P-C4' energy: -170.394 flat angles C4'-P-C4' energy: -181.081 flat angles P-C4'-P energy: -109.268 tors. eta vs tors. theta energy: -186.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2119.614550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.614550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.614550 (E_RNA) where: Base-Base interactions energy: -1393.008 where: short stacking energy: -611.144 Base-Backbone interact. energy: -3.027 local terms energy: -723.579966 where: bonds (distance) C4'-P energy: -151.768 bonds (distance) P-C4' energy: -154.968 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -94.928 tors. eta vs tors. theta energy: -154.720 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: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1456.884541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.884541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.884541 (E_RNA) where: Base-Base interactions energy: -834.491 where: short stacking energy: -409.352 Base-Backbone interact. energy: -1.800 local terms energy: -620.593012 where: bonds (distance) C4'-P energy: -151.155 bonds (distance) P-C4' energy: -153.384 flat angles C4'-P-C4' energy: -147.657 flat angles P-C4'-P energy: -90.956 tors. eta vs tors. theta energy: -77.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1072.413830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.413830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.413830 (E_RNA) where: Base-Base interactions energy: -581.374 where: short stacking energy: -333.638 Base-Backbone interact. energy: 3.982 local terms energy: -495.022236 where: bonds (distance) C4'-P energy: -140.849 bonds (distance) P-C4' energy: -151.514 flat angles C4'-P-C4' energy: -146.180 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: 9.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -681.883783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.883783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.883783 (E_RNA) where: Base-Base interactions energy: -227.893 where: short stacking energy: -217.625 Base-Backbone interact. energy: 1.416 local terms energy: -455.407210 where: bonds (distance) C4'-P energy: -155.703 bonds (distance) P-C4' energy: -164.979 flat angles C4'-P-C4' energy: -123.604 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: 51.503 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: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3071.686478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.686478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.686478 (E_RNA) where: Base-Base interactions energy: -2087.271 where: short stacking energy: -967.072 Base-Backbone interact. energy: -2.963 local terms energy: -981.452529 where: bonds (distance) C4'-P energy: -189.449 bonds (distance) P-C4' energy: -177.513 flat angles C4'-P-C4' energy: -205.888 flat angles P-C4'-P energy: -141.331 tors. eta vs tors. theta energy: -267.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2955.338187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.338187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.338187 (E_RNA) where: Base-Base interactions energy: -2013.414 where: short stacking energy: -886.816 Base-Backbone interact. energy: -5.231 local terms energy: -936.693556 where: bonds (distance) C4'-P energy: -170.401 bonds (distance) P-C4' energy: -186.633 flat angles C4'-P-C4' energy: -198.392 flat angles P-C4'-P energy: -129.378 tors. eta vs tors. theta energy: -251.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2797.600258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.600258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.600258 (E_RNA) where: Base-Base interactions energy: -1853.731 where: short stacking energy: -840.091 Base-Backbone interact. energy: 2.704 local terms energy: -946.573620 where: bonds (distance) C4'-P energy: -176.574 bonds (distance) P-C4' energy: -171.399 flat angles C4'-P-C4' energy: -197.485 flat angles P-C4'-P energy: -144.274 tors. eta vs tors. theta energy: -256.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2705.741010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.741010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.741010 (E_RNA) where: Base-Base interactions energy: -1846.533 where: short stacking energy: -823.801 Base-Backbone interact. energy: -0.926 local terms energy: -858.282470 where: bonds (distance) C4'-P energy: -157.253 bonds (distance) P-C4' energy: -175.127 flat angles C4'-P-C4' energy: -197.799 flat angles P-C4'-P energy: -99.511 tors. eta vs tors. theta energy: -228.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2497.265511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.265511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.265511 (E_RNA) where: Base-Base interactions energy: -1634.908 where: short stacking energy: -743.913 Base-Backbone interact. energy: 4.381 local terms energy: -866.738360 where: bonds (distance) C4'-P energy: -180.154 bonds (distance) P-C4' energy: -180.615 flat angles C4'-P-C4' energy: -181.666 flat angles P-C4'-P energy: -110.098 tors. eta vs tors. theta energy: -214.204 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: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2238.589118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.589118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.589118 (E_RNA) where: Base-Base interactions energy: -1494.983 where: short stacking energy: -671.156 Base-Backbone interact. energy: -3.620 local terms energy: -739.985296 where: bonds (distance) C4'-P energy: -149.951 bonds (distance) P-C4' energy: -151.176 flat angles C4'-P-C4' energy: -168.868 flat angles P-C4'-P energy: -105.799 tors. eta vs tors. theta energy: -164.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2054.595951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.595951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.595951 (E_RNA) where: Base-Base interactions energy: -1331.250 where: short stacking energy: -608.002 Base-Backbone interact. energy: 0.311 local terms energy: -723.656977 where: bonds (distance) C4'-P energy: -125.996 bonds (distance) P-C4' energy: -167.708 flat angles C4'-P-C4' energy: -188.451 flat angles P-C4'-P energy: -108.907 tors. eta vs tors. theta energy: -132.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1421.213651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.213651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.213651 (E_RNA) where: Base-Base interactions energy: -830.372 where: short stacking energy: -437.381 Base-Backbone interact. energy: 3.491 local terms energy: -594.333395 where: bonds (distance) C4'-P energy: -156.183 bonds (distance) P-C4' energy: -154.530 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -78.310 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: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1042.621791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.621791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.621791 (E_RNA) where: Base-Base interactions energy: -551.828 where: short stacking energy: -302.911 Base-Backbone interact. energy: 8.026 local terms energy: -498.819693 where: bonds (distance) C4'-P energy: -142.448 bonds (distance) P-C4' energy: -156.777 flat angles C4'-P-C4' energy: -143.822 flat angles P-C4'-P energy: -72.212 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: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -696.167104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.167104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.167104 (E_RNA) where: Base-Base interactions energy: -271.611 where: short stacking energy: -211.102 Base-Backbone interact. energy: 6.024 local terms energy: -430.579870 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -152.252 flat angles C4'-P-C4' energy: -91.753 flat angles P-C4'-P energy: -85.800 tors. eta vs tors. theta energy: 33.185 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: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3064.908569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.908569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.908569 (E_RNA) where: Base-Base interactions energy: -2073.041 where: short stacking energy: -928.304 Base-Backbone interact. energy: -2.778 local terms energy: -989.089682 where: bonds (distance) C4'-P energy: -178.158 bonds (distance) P-C4' energy: -177.399 flat angles C4'-P-C4' energy: -219.909 flat angles P-C4'-P energy: -153.802 tors. eta vs tors. theta energy: -259.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2995.998736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.998736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.998736 (E_RNA) where: Base-Base interactions energy: -2026.622 where: short stacking energy: -919.631 Base-Backbone interact. energy: -2.955 local terms energy: -966.421480 where: bonds (distance) C4'-P energy: -175.074 bonds (distance) P-C4' energy: -184.260 flat angles C4'-P-C4' energy: -206.410 flat angles P-C4'-P energy: -123.278 tors. eta vs tors. theta energy: -277.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2833.588838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.588838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.588838 (E_RNA) where: Base-Base interactions energy: -1898.956 where: short stacking energy: -856.420 Base-Backbone interact. energy: -1.406 local terms energy: -933.226316 where: bonds (distance) C4'-P energy: -162.058 bonds (distance) P-C4' energy: -176.209 flat angles C4'-P-C4' energy: -197.007 flat angles P-C4'-P energy: -144.194 tors. eta vs tors. theta energy: -253.758 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: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2626.800958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.800958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.800958 (E_RNA) where: Base-Base interactions energy: -1787.256 where: short stacking energy: -778.148 Base-Backbone interact. energy: 1.271 local terms energy: -840.815918 where: bonds (distance) C4'-P energy: -148.778 bonds (distance) P-C4' energy: -168.085 flat angles C4'-P-C4' energy: -189.758 flat angles P-C4'-P energy: -116.163 tors. eta vs tors. theta energy: -218.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2515.659394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.659394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.659394 (E_RNA) where: Base-Base interactions energy: -1653.201 where: short stacking energy: -789.328 Base-Backbone interact. energy: 5.839 local terms energy: -868.298210 where: bonds (distance) C4'-P energy: -185.334 bonds (distance) P-C4' energy: -157.840 flat angles C4'-P-C4' energy: -181.035 flat angles P-C4'-P energy: -120.826 tors. eta vs tors. theta energy: -223.264 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: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2175.310372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.310372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.310372 (E_RNA) where: Base-Base interactions energy: -1429.864 where: short stacking energy: -636.792 Base-Backbone interact. energy: -0.054 local terms energy: -745.392460 where: bonds (distance) C4'-P energy: -152.002 bonds (distance) P-C4' energy: -153.113 flat angles C4'-P-C4' energy: -169.878 flat angles P-C4'-P energy: -102.760 tors. eta vs tors. theta energy: -167.639 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: 7, replica: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2136.151383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.151383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.151383 (E_RNA) where: Base-Base interactions energy: -1413.634 where: short stacking energy: -639.969 Base-Backbone interact. energy: 2.843 local terms energy: -725.360388 where: bonds (distance) C4'-P energy: -149.527 bonds (distance) P-C4' energy: -162.168 flat angles C4'-P-C4' energy: -176.596 flat angles P-C4'-P energy: -81.273 tors. eta vs tors. theta energy: -155.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1537.967657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.967657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.967657 (E_RNA) where: Base-Base interactions energy: -902.706 where: short stacking energy: -429.149 Base-Backbone interact. energy: 0.160 local terms energy: -635.421429 where: bonds (distance) C4'-P energy: -160.112 bonds (distance) P-C4' energy: -158.295 flat angles C4'-P-C4' energy: -166.191 flat angles P-C4'-P energy: -81.465 tors. eta vs tors. theta energy: -69.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1120.872321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.872321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.872321 (E_RNA) where: Base-Base interactions energy: -609.504 where: short stacking energy: -367.715 Base-Backbone interact. energy: -0.700 local terms energy: -510.668751 where: bonds (distance) C4'-P energy: -150.587 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -117.917 flat angles P-C4'-P energy: -77.934 tors. eta vs tors. theta energy: -17.084 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: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -692.895017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.895017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.895017 (E_RNA) where: Base-Base interactions energy: -267.394 where: short stacking energy: -232.687 Base-Backbone interact. energy: 4.014 local terms energy: -429.515141 where: bonds (distance) C4'-P energy: -138.463 bonds (distance) P-C4' energy: -143.870 flat angles C4'-P-C4' energy: -86.389 flat angles P-C4'-P energy: -72.255 tors. eta vs tors. theta energy: 11.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3063.666551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.666551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.666551 (E_RNA) where: Base-Base interactions energy: -2062.654 where: short stacking energy: -940.634 Base-Backbone interact. energy: -3.755 local terms energy: -997.257237 where: bonds (distance) C4'-P energy: -184.970 bonds (distance) P-C4' energy: -174.762 flat angles C4'-P-C4' energy: -213.305 flat angles P-C4'-P energy: -155.833 tors. eta vs tors. theta energy: -268.387 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: 292 Temperature: 0.950000 Total energy: -2986.521043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.521043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.521043 (E_RNA) where: Base-Base interactions energy: -2031.826 where: short stacking energy: -915.445 Base-Backbone interact. energy: -2.922 local terms energy: -951.772348 where: bonds (distance) C4'-P energy: -184.584 bonds (distance) P-C4' energy: -184.246 flat angles C4'-P-C4' energy: -194.392 flat angles P-C4'-P energy: -117.123 tors. eta vs tors. theta energy: -271.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2776.850867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.850867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.850867 (E_RNA) where: Base-Base interactions energy: -1868.918 where: short stacking energy: -878.115 Base-Backbone interact. energy: -3.342 local terms energy: -904.590929 where: bonds (distance) C4'-P energy: -173.285 bonds (distance) P-C4' energy: -167.697 flat angles C4'-P-C4' energy: -202.754 flat angles P-C4'-P energy: -121.156 tors. eta vs tors. theta energy: -239.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2698.989824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.989824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.989824 (E_RNA) where: Base-Base interactions energy: -1838.689 where: short stacking energy: -815.728 Base-Backbone interact. energy: -3.301 local terms energy: -856.999522 where: bonds (distance) C4'-P energy: -158.001 bonds (distance) P-C4' energy: -154.001 flat angles C4'-P-C4' energy: -184.803 flat angles P-C4'-P energy: -138.739 tors. eta vs tors. theta energy: -221.456 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: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2517.700279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.700279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.700279 (E_RNA) where: Base-Base interactions energy: -1662.921 where: short stacking energy: -764.076 Base-Backbone interact. energy: -2.398 local terms energy: -852.381281 where: bonds (distance) C4'-P energy: -158.742 bonds (distance) P-C4' energy: -163.795 flat angles C4'-P-C4' energy: -189.863 flat angles P-C4'-P energy: -119.194 tors. eta vs tors. theta energy: -220.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2268.598032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.598032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.598032 (E_RNA) where: Base-Base interactions energy: -1464.488 where: short stacking energy: -686.758 Base-Backbone interact. energy: 4.535 local terms energy: -808.645109 where: bonds (distance) C4'-P energy: -139.264 bonds (distance) P-C4' energy: -169.855 flat angles C4'-P-C4' energy: -188.763 flat angles P-C4'-P energy: -112.655 tors. eta vs tors. theta energy: -198.107 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: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2109.822045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.822045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.822045 (E_RNA) where: Base-Base interactions energy: -1399.451 where: short stacking energy: -623.400 Base-Backbone interact. energy: -0.825 local terms energy: -709.546355 where: bonds (distance) C4'-P energy: -140.881 bonds (distance) P-C4' energy: -141.685 flat angles C4'-P-C4' energy: -184.970 flat angles P-C4'-P energy: -95.011 tors. eta vs tors. theta energy: -146.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1617.091957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.091957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.091957 (E_RNA) where: Base-Base interactions energy: -1028.165 where: short stacking energy: -491.336 Base-Backbone interact. energy: -5.867 local terms energy: -583.060020 where: bonds (distance) C4'-P energy: -142.281 bonds (distance) P-C4' energy: -160.052 flat angles C4'-P-C4' energy: -139.014 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -63.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1051.237041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.237041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.237041 (E_RNA) where: Base-Base interactions energy: -550.219 where: short stacking energy: -290.528 Base-Backbone interact. energy: -1.237 local terms energy: -499.781777 where: bonds (distance) C4'-P energy: -139.947 bonds (distance) P-C4' energy: -134.858 flat angles C4'-P-C4' energy: -145.783 flat angles P-C4'-P energy: -72.704 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -645.188169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.188169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.188169 (E_RNA) where: Base-Base interactions energy: -202.953 where: short stacking energy: -166.547 Base-Backbone interact. energy: 3.101 local terms energy: -445.336144 where: bonds (distance) C4'-P energy: -146.352 bonds (distance) P-C4' energy: -141.931 flat angles C4'-P-C4' energy: -134.118 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: 57.636 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: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3076.700030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.700030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.700030 (E_RNA) where: Base-Base interactions energy: -2102.478 where: short stacking energy: -943.826 Base-Backbone interact. energy: -5.168 local terms energy: -969.053654 where: bonds (distance) C4'-P energy: -160.027 bonds (distance) P-C4' energy: -187.814 flat angles C4'-P-C4' energy: -214.853 flat angles P-C4'-P energy: -133.353 tors. eta vs tors. theta energy: -273.007 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: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2993.742933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.742933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.742933 (E_RNA) where: Base-Base interactions energy: -2051.665 where: short stacking energy: -907.256 Base-Backbone interact. energy: -5.921 local terms energy: -936.156578 where: bonds (distance) C4'-P energy: -198.638 bonds (distance) P-C4' energy: -164.563 flat angles C4'-P-C4' energy: -193.450 flat angles P-C4'-P energy: -122.674 tors. eta vs tors. theta energy: -256.831 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: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2821.328213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.328213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.328213 (E_RNA) where: Base-Base interactions energy: -1882.168 where: short stacking energy: -867.809 Base-Backbone interact. energy: -0.643 local terms energy: -938.516419 where: bonds (distance) C4'-P energy: -154.109 bonds (distance) P-C4' energy: -188.797 flat angles C4'-P-C4' energy: -215.567 flat angles P-C4'-P energy: -131.258 tors. eta vs tors. theta energy: -248.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2695.397952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.397952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.397952 (E_RNA) where: Base-Base interactions energy: -1827.632 where: short stacking energy: -800.951 Base-Backbone interact. energy: -2.082 local terms energy: -865.683295 where: bonds (distance) C4'-P energy: -159.795 bonds (distance) P-C4' energy: -177.867 flat angles C4'-P-C4' energy: -184.956 flat angles P-C4'-P energy: -114.785 tors. eta vs tors. theta energy: -228.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2528.041278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.041278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.041278 (E_RNA) where: Base-Base interactions energy: -1667.481 where: short stacking energy: -752.607 Base-Backbone interact. energy: -1.335 local terms energy: -859.225484 where: bonds (distance) C4'-P energy: -196.878 bonds (distance) P-C4' energy: -158.342 flat angles C4'-P-C4' energy: -192.287 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -202.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2313.550696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.550696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.550696 (E_RNA) where: Base-Base interactions energy: -1520.896 where: short stacking energy: -722.659 Base-Backbone interact. energy: 1.989 local terms energy: -794.643724 where: bonds (distance) C4'-P energy: -145.602 bonds (distance) P-C4' energy: -164.664 flat angles C4'-P-C4' energy: -170.973 flat angles P-C4'-P energy: -106.636 tors. eta vs tors. theta energy: -206.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2065.982717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.982717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.982717 (E_RNA) where: Base-Base interactions energy: -1370.371 where: short stacking energy: -616.019 Base-Backbone interact. energy: -1.018 local terms energy: -694.593986 where: bonds (distance) C4'-P energy: -155.026 bonds (distance) P-C4' energy: -142.704 flat angles C4'-P-C4' energy: -171.595 flat angles P-C4'-P energy: -78.976 tors. eta vs tors. theta energy: -146.293 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: 293 Temperature: 1.250000 Total energy: -1710.263438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.263438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.263438 (E_RNA) where: Base-Base interactions energy: -1060.575 where: short stacking energy: -505.995 Base-Backbone interact. energy: -1.804 local terms energy: -647.884010 where: bonds (distance) C4'-P energy: -146.348 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -148.555 flat angles P-C4'-P energy: -99.996 tors. eta vs tors. theta energy: -95.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1073.426332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.426332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.426332 (E_RNA) where: Base-Base interactions energy: -559.973 where: short stacking energy: -319.174 Base-Backbone interact. energy: -2.404 local terms energy: -511.048707 where: bonds (distance) C4'-P energy: -152.426 bonds (distance) P-C4' energy: -148.745 flat angles C4'-P-C4' energy: -115.285 flat angles P-C4'-P energy: -90.164 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: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -705.972282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.972282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.972282 (E_RNA) where: Base-Base interactions energy: -251.569 where: short stacking energy: -205.804 Base-Backbone interact. energy: -4.000 local terms energy: -450.403150 where: bonds (distance) C4'-P energy: -148.194 bonds (distance) P-C4' energy: -140.707 flat angles C4'-P-C4' energy: -127.279 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: 15.045 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: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3080.450532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.450532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.450532 (E_RNA) where: Base-Base interactions energy: -2079.962 where: short stacking energy: -954.442 Base-Backbone interact. energy: -3.819 local terms energy: -996.669715 where: bonds (distance) C4'-P energy: -173.168 bonds (distance) P-C4' energy: -188.283 flat angles C4'-P-C4' energy: -212.072 flat angles P-C4'-P energy: -143.386 tors. eta vs tors. theta energy: -279.760 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -3019.222616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.222616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.222616 (E_RNA) where: Base-Base interactions energy: -2037.572 where: short stacking energy: -940.127 Base-Backbone interact. energy: -7.113 local terms energy: -974.538415 where: bonds (distance) C4'-P energy: -173.854 bonds (distance) P-C4' energy: -178.846 flat angles C4'-P-C4' energy: -203.763 flat angles P-C4'-P energy: -143.469 tors. eta vs tors. theta energy: -274.607 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: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2828.852361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.852361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.852361 (E_RNA) where: Base-Base interactions energy: -1925.850 where: short stacking energy: -887.969 Base-Backbone interact. energy: -1.929 local terms energy: -901.073571 where: bonds (distance) C4'-P energy: -154.334 bonds (distance) P-C4' energy: -172.984 flat angles C4'-P-C4' energy: -192.102 flat angles P-C4'-P energy: -130.195 tors. eta vs tors. theta energy: -251.458 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: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2704.004545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.004545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.004545 (E_RNA) where: Base-Base interactions energy: -1833.917 where: short stacking energy: -815.177 Base-Backbone interact. energy: -3.602 local terms energy: -866.485511 where: bonds (distance) C4'-P energy: -168.473 bonds (distance) P-C4' energy: -159.071 flat angles C4'-P-C4' energy: -201.333 flat angles P-C4'-P energy: -122.570 tors. eta vs tors. theta energy: -215.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2492.900856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.900856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.900856 (E_RNA) where: Base-Base interactions energy: -1646.636 where: short stacking energy: -755.562 Base-Backbone interact. energy: 0.116 local terms energy: -846.380677 where: bonds (distance) C4'-P energy: -143.945 bonds (distance) P-C4' energy: -176.086 flat angles C4'-P-C4' energy: -186.302 flat angles P-C4'-P energy: -115.831 tors. eta vs tors. theta energy: -224.217 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: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2276.501003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.501003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.501003 (E_RNA) where: Base-Base interactions energy: -1473.185 where: short stacking energy: -679.652 Base-Backbone interact. energy: 3.874 local terms energy: -807.189174 where: bonds (distance) C4'-P energy: -155.552 bonds (distance) P-C4' energy: -180.147 flat angles C4'-P-C4' energy: -173.678 flat angles P-C4'-P energy: -121.099 tors. eta vs tors. theta energy: -176.713 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: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2128.857786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.857786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.857786 (E_RNA) where: Base-Base interactions energy: -1365.189 where: short stacking energy: -621.769 Base-Backbone interact. energy: 1.582 local terms energy: -765.251046 where: bonds (distance) C4'-P energy: -156.212 bonds (distance) P-C4' energy: -162.486 flat angles C4'-P-C4' energy: -175.930 flat angles P-C4'-P energy: -114.506 tors. eta vs tors. theta energy: -156.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1847.059182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.059182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.059182 (E_RNA) where: Base-Base interactions energy: -1138.390 where: short stacking energy: -537.155 Base-Backbone interact. energy: -0.748 local terms energy: -707.921167 where: bonds (distance) C4'-P energy: -151.583 bonds (distance) P-C4' energy: -167.356 flat angles C4'-P-C4' energy: -147.577 flat angles P-C4'-P energy: -94.598 tors. eta vs tors. theta energy: -146.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1081.580920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.580920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.580920 (E_RNA) where: Base-Base interactions energy: -580.762 where: short stacking energy: -311.790 Base-Backbone interact. energy: 4.124 local terms energy: -504.943012 where: bonds (distance) C4'-P energy: -131.788 bonds (distance) P-C4' energy: -150.027 flat angles C4'-P-C4' energy: -137.794 flat angles P-C4'-P energy: -75.971 tors. eta vs tors. theta energy: -9.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -692.268993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.268993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.268993 (E_RNA) where: Base-Base interactions energy: -227.004 where: short stacking energy: -193.480 Base-Backbone interact. energy: 0.603 local terms energy: -465.867854 where: bonds (distance) C4'-P energy: -139.448 bonds (distance) P-C4' energy: -142.424 flat angles C4'-P-C4' energy: -125.944 flat angles P-C4'-P energy: -89.768 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: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3079.628717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.628717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.628717 (E_RNA) where: Base-Base interactions energy: -2091.547 where: short stacking energy: -971.085 Base-Backbone interact. energy: -4.204 local terms energy: -983.878672 where: bonds (distance) C4'-P energy: -182.722 bonds (distance) P-C4' energy: -187.792 flat angles C4'-P-C4' energy: -202.269 flat angles P-C4'-P energy: -133.227 tors. eta vs tors. theta energy: -277.868 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: 295 Temperature: 0.950000 Total energy: -3001.865982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.865982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.865982 (E_RNA) where: Base-Base interactions energy: -2026.488 where: short stacking energy: -906.971 Base-Backbone interact. energy: -5.201 local terms energy: -970.177275 where: bonds (distance) C4'-P energy: -185.664 bonds (distance) P-C4' energy: -182.227 flat angles C4'-P-C4' energy: -196.147 flat angles P-C4'-P energy: -140.068 tors. eta vs tors. theta energy: -266.071 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: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2851.461109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.461109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.461109 (E_RNA) where: Base-Base interactions energy: -1929.469 where: short stacking energy: -893.947 Base-Backbone interact. energy: -0.467 local terms energy: -921.525585 where: bonds (distance) C4'-P energy: -170.282 bonds (distance) P-C4' energy: -171.338 flat angles C4'-P-C4' energy: -199.393 flat angles P-C4'-P energy: -124.787 tors. eta vs tors. theta energy: -255.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2667.462748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.462748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.462748 (E_RNA) where: Base-Base interactions energy: -1800.537 where: short stacking energy: -790.881 Base-Backbone interact. energy: -2.149 local terms energy: -864.776869 where: bonds (distance) C4'-P energy: -171.628 bonds (distance) P-C4' energy: -175.158 flat angles C4'-P-C4' energy: -187.451 flat angles P-C4'-P energy: -115.016 tors. eta vs tors. theta energy: -215.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2480.510860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.510860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.510860 (E_RNA) where: Base-Base interactions energy: -1667.732 where: short stacking energy: -739.765 Base-Backbone interact. energy: 1.576 local terms energy: -814.354030 where: bonds (distance) C4'-P energy: -146.040 bonds (distance) P-C4' energy: -161.588 flat angles C4'-P-C4' energy: -186.880 flat angles P-C4'-P energy: -103.657 tors. eta vs tors. theta energy: -216.188 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: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2398.022449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.022449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.022449 (E_RNA) where: Base-Base interactions energy: -1589.920 where: short stacking energy: -747.797 Base-Backbone interact. energy: -2.197 local terms energy: -805.905450 where: bonds (distance) C4'-P energy: -165.686 bonds (distance) P-C4' energy: -137.434 flat angles C4'-P-C4' energy: -187.063 flat angles P-C4'-P energy: -112.581 tors. eta vs tors. theta energy: -203.141 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: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2170.938177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.938177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.938177 (E_RNA) where: Base-Base interactions energy: -1428.601 where: short stacking energy: -629.921 Base-Backbone interact. energy: 1.204 local terms energy: -743.541925 where: bonds (distance) C4'-P energy: -164.338 bonds (distance) P-C4' energy: -167.858 flat angles C4'-P-C4' energy: -171.429 flat angles P-C4'-P energy: -101.587 tors. eta vs tors. theta energy: -138.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1770.631217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.631217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.631217 (E_RNA) where: Base-Base interactions energy: -1111.627 where: short stacking energy: -521.316 Base-Backbone interact. energy: -0.565 local terms energy: -658.439376 where: bonds (distance) C4'-P energy: -149.761 bonds (distance) P-C4' energy: -133.026 flat angles C4'-P-C4' energy: -162.942 flat angles P-C4'-P energy: -111.316 tors. eta vs tors. theta energy: -101.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1047.228723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.228723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.228723 (E_RNA) where: Base-Base interactions energy: -547.887 where: short stacking energy: -298.552 Base-Backbone interact. energy: -3.710 local terms energy: -495.630823 where: bonds (distance) C4'-P energy: -139.029 bonds (distance) P-C4' energy: -143.605 flat angles C4'-P-C4' energy: -146.979 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -699.273232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.273232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.273232 (E_RNA) where: Base-Base interactions energy: -279.444 where: short stacking energy: -229.459 Base-Backbone interact. energy: 3.744 local terms energy: -423.573105 where: bonds (distance) C4'-P energy: -136.120 bonds (distance) P-C4' energy: -130.123 flat angles C4'-P-C4' energy: -121.838 flat angles P-C4'-P energy: -55.386 tors. eta vs tors. theta energy: 19.893 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: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3059.659565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.659565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.659565 (E_RNA) where: Base-Base interactions energy: -2085.192 where: short stacking energy: -987.764 Base-Backbone interact. energy: -0.067 local terms energy: -974.400892 where: bonds (distance) C4'-P energy: -171.913 bonds (distance) P-C4' energy: -176.744 flat angles C4'-P-C4' energy: -208.553 flat angles P-C4'-P energy: -141.900 tors. eta vs tors. theta energy: -275.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3011.524416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.524416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.524416 (E_RNA) where: Base-Base interactions energy: -2048.800 where: short stacking energy: -932.385 Base-Backbone interact. energy: -5.261 local terms energy: -957.463816 where: bonds (distance) C4'-P energy: -163.812 bonds (distance) P-C4' energy: -176.333 flat angles C4'-P-C4' energy: -205.646 flat angles P-C4'-P energy: -132.800 tors. eta vs tors. theta energy: -278.874 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: 3, replica: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2872.835418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.835418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.835418 (E_RNA) where: Base-Base interactions energy: -1904.217 where: short stacking energy: -888.259 Base-Backbone interact. energy: -2.685 local terms energy: -965.933487 where: bonds (distance) C4'-P energy: -195.196 bonds (distance) P-C4' energy: -179.952 flat angles C4'-P-C4' energy: -202.454 flat angles P-C4'-P energy: -134.733 tors. eta vs tors. theta energy: -253.599 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: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2651.590956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.590956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.590956 (E_RNA) where: Base-Base interactions energy: -1794.263 where: short stacking energy: -787.427 Base-Backbone interact. energy: 0.717 local terms energy: -858.044661 where: bonds (distance) C4'-P energy: -167.764 bonds (distance) P-C4' energy: -174.631 flat angles C4'-P-C4' energy: -193.822 flat angles P-C4'-P energy: -106.062 tors. eta vs tors. theta energy: -215.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2553.346089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.346089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.346089 (E_RNA) where: Base-Base interactions energy: -1720.699 where: short stacking energy: -769.128 Base-Backbone interact. energy: -1.421 local terms energy: -831.226908 where: bonds (distance) C4'-P energy: -151.105 bonds (distance) P-C4' energy: -149.421 flat angles C4'-P-C4' energy: -175.979 flat angles P-C4'-P energy: -129.414 tors. eta vs tors. theta energy: -225.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2292.241552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.241552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.241552 (E_RNA) where: Base-Base interactions energy: -1511.145 where: short stacking energy: -666.818 Base-Backbone interact. energy: -2.298 local terms energy: -778.798298 where: bonds (distance) C4'-P energy: -155.196 bonds (distance) P-C4' energy: -157.121 flat angles C4'-P-C4' energy: -183.731 flat angles P-C4'-P energy: -102.212 tors. eta vs tors. theta energy: -180.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2142.050184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.050184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.050184 (E_RNA) where: Base-Base interactions energy: -1408.219 where: short stacking energy: -658.006 Base-Backbone interact. energy: -3.834 local terms energy: -729.997273 where: bonds (distance) C4'-P energy: -142.031 bonds (distance) P-C4' energy: -156.543 flat angles C4'-P-C4' energy: -173.406 flat angles P-C4'-P energy: -107.086 tors. eta vs tors. theta energy: -150.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1711.319520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.319520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.319520 (E_RNA) where: Base-Base interactions energy: -1042.845 where: short stacking energy: -498.156 Base-Backbone interact. energy: -1.263 local terms energy: -667.211478 where: bonds (distance) C4'-P energy: -138.546 bonds (distance) P-C4' energy: -151.990 flat angles C4'-P-C4' energy: -166.831 flat angles P-C4'-P energy: -93.685 tors. eta vs tors. theta energy: -116.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1101.110772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.110772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.110772 (E_RNA) where: Base-Base interactions energy: -565.847 where: short stacking energy: -335.516 Base-Backbone interact. energy: -4.036 local terms energy: -531.228223 where: bonds (distance) C4'-P energy: -148.954 bonds (distance) P-C4' energy: -152.503 flat angles C4'-P-C4' energy: -120.475 flat angles P-C4'-P energy: -84.512 tors. eta vs tors. theta energy: -24.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -694.398888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.398888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.398888 (E_RNA) where: Base-Base interactions energy: -253.643 where: short stacking energy: -200.343 Base-Backbone interact. energy: 6.350 local terms energy: -447.105597 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -155.710 flat angles C4'-P-C4' energy: -115.111 flat angles P-C4'-P energy: -65.533 tors. eta vs tors. theta energy: 44.060 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: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3057.968182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.968182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.968182 (E_RNA) where: Base-Base interactions energy: -2080.630 where: short stacking energy: -925.134 Base-Backbone interact. energy: -4.494 local terms energy: -972.844193 where: bonds (distance) C4'-P energy: -191.796 bonds (distance) P-C4' energy: -175.361 flat angles C4'-P-C4' energy: -200.730 flat angles P-C4'-P energy: -135.526 tors. eta vs tors. theta energy: -269.432 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: 297 Temperature: 0.950000 Total energy: -2980.940534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.940534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.940534 (E_RNA) where: Base-Base interactions energy: -2019.599 where: short stacking energy: -909.902 Base-Backbone interact. energy: -5.827 local terms energy: -955.514368 where: bonds (distance) C4'-P energy: -186.275 bonds (distance) P-C4' energy: -172.080 flat angles C4'-P-C4' energy: -206.316 flat angles P-C4'-P energy: -134.591 tors. eta vs tors. theta energy: -256.252 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: 297 Temperature: 1.000000 Total energy: -2865.870933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.870933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.870933 (E_RNA) where: Base-Base interactions energy: -1898.610 where: short stacking energy: -870.362 Base-Backbone interact. energy: -4.367 local terms energy: -962.893578 where: bonds (distance) C4'-P energy: -173.303 bonds (distance) P-C4' energy: -186.086 flat angles C4'-P-C4' energy: -207.600 flat angles P-C4'-P energy: -139.448 tors. eta vs tors. theta energy: -256.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2690.444053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.444053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.444053 (E_RNA) where: Base-Base interactions energy: -1823.877 where: short stacking energy: -781.593 Base-Backbone interact. energy: 3.564 local terms energy: -870.130842 where: bonds (distance) C4'-P energy: -179.771 bonds (distance) P-C4' energy: -172.567 flat angles C4'-P-C4' energy: -196.896 flat angles P-C4'-P energy: -110.400 tors. eta vs tors. theta energy: -210.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2547.294412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.294412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.294412 (E_RNA) where: Base-Base interactions energy: -1686.675 where: short stacking energy: -770.929 Base-Backbone interact. energy: -0.784 local terms energy: -859.835564 where: bonds (distance) C4'-P energy: -145.305 bonds (distance) P-C4' energy: -167.749 flat angles C4'-P-C4' energy: -194.332 flat angles P-C4'-P energy: -132.716 tors. eta vs tors. theta energy: -219.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2321.979667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.979667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.979667 (E_RNA) where: Base-Base interactions energy: -1532.743 where: short stacking energy: -680.027 Base-Backbone interact. energy: -4.827 local terms energy: -784.408988 where: bonds (distance) C4'-P energy: -144.590 bonds (distance) P-C4' energy: -157.625 flat angles C4'-P-C4' energy: -178.769 flat angles P-C4'-P energy: -104.129 tors. eta vs tors. theta energy: -199.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2159.197614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.197614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.197614 (E_RNA) where: Base-Base interactions energy: -1430.015 where: short stacking energy: -652.153 Base-Backbone interact. energy: -4.567 local terms energy: -724.616245 where: bonds (distance) C4'-P energy: -156.554 bonds (distance) P-C4' energy: -154.204 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -105.161 tors. eta vs tors. theta energy: -167.225 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: 297 Temperature: 1.250000 Total energy: -1734.449030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.449030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.449030 (E_RNA) where: Base-Base interactions energy: -1059.734 where: short stacking energy: -531.374 Base-Backbone interact. energy: 3.174 local terms energy: -677.889751 where: bonds (distance) C4'-P energy: -168.893 bonds (distance) P-C4' energy: -168.778 flat angles C4'-P-C4' energy: -151.596 flat angles P-C4'-P energy: -75.203 tors. eta vs tors. theta energy: -113.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1140.457573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.457573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.457573 (E_RNA) where: Base-Base interactions energy: -621.104 where: short stacking energy: -319.409 Base-Backbone interact. energy: 2.342 local terms energy: -521.695951 where: bonds (distance) C4'-P energy: -144.906 bonds (distance) P-C4' energy: -157.592 flat angles C4'-P-C4' energy: -130.595 flat angles P-C4'-P energy: -82.427 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -689.867685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.867685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.867685 (E_RNA) where: Base-Base interactions energy: -245.996 where: short stacking energy: -199.192 Base-Backbone interact. energy: -0.384 local terms energy: -443.488038 where: bonds (distance) C4'-P energy: -144.312 bonds (distance) P-C4' energy: -149.940 flat angles C4'-P-C4' energy: -121.112 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: 57.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3092.651088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.651088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.651088 (E_RNA) where: Base-Base interactions energy: -2060.534 where: short stacking energy: -934.542 Base-Backbone interact. energy: -4.586 local terms energy: -1027.531173 where: bonds (distance) C4'-P energy: -191.802 bonds (distance) P-C4' energy: -185.211 flat angles C4'-P-C4' energy: -218.583 flat angles P-C4'-P energy: -148.980 tors. eta vs tors. theta energy: -282.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2992.654102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.654102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.654102 (E_RNA) where: Base-Base interactions energy: -2043.258 where: short stacking energy: -907.945 Base-Backbone interact. energy: -0.722 local terms energy: -948.673691 where: bonds (distance) C4'-P energy: -168.671 bonds (distance) P-C4' energy: -189.795 flat angles C4'-P-C4' energy: -197.563 flat angles P-C4'-P energy: -140.815 tors. eta vs tors. theta energy: -251.830 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: 298 Temperature: 1.000000 Total energy: -2853.680214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.680214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.680214 (E_RNA) where: Base-Base interactions energy: -1907.415 where: short stacking energy: -839.149 Base-Backbone interact. energy: -4.974 local terms energy: -941.291302 where: bonds (distance) C4'-P energy: -180.319 bonds (distance) P-C4' energy: -184.519 flat angles C4'-P-C4' energy: -193.822 flat angles P-C4'-P energy: -133.698 tors. eta vs tors. theta energy: -248.933 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: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2676.027475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.027475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.027475 (E_RNA) where: Base-Base interactions energy: -1851.053 where: short stacking energy: -798.207 Base-Backbone interact. energy: -6.795 local terms energy: -818.178796 where: bonds (distance) C4'-P energy: -159.298 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -171.256 flat angles P-C4'-P energy: -115.742 tors. eta vs tors. theta energy: -216.483 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: 298 Temperature: 1.100000 Total energy: -2509.720335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.720335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.720335 (E_RNA) where: Base-Base interactions energy: -1680.216 where: short stacking energy: -776.262 Base-Backbone interact. energy: 0.253 local terms energy: -829.756793 where: bonds (distance) C4'-P energy: -161.068 bonds (distance) P-C4' energy: -177.957 flat angles C4'-P-C4' energy: -181.024 flat angles P-C4'-P energy: -104.195 tors. eta vs tors. theta energy: -205.512 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: 298 Temperature: 1.150000 Total energy: -2300.124970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.124970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.124970 (E_RNA) where: Base-Base interactions energy: -1498.387 where: short stacking energy: -716.375 Base-Backbone interact. energy: -0.199 local terms energy: -801.539072 where: bonds (distance) C4'-P energy: -147.535 bonds (distance) P-C4' energy: -170.279 flat angles C4'-P-C4' energy: -186.026 flat angles P-C4'-P energy: -113.188 tors. eta vs tors. theta energy: -184.511 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: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2157.871663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.871663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.871663 (E_RNA) where: Base-Base interactions energy: -1402.192 where: short stacking energy: -672.991 Base-Backbone interact. energy: 6.252 local terms energy: -761.931336 where: bonds (distance) C4'-P energy: -138.743 bonds (distance) P-C4' energy: -167.271 flat angles C4'-P-C4' energy: -169.410 flat angles P-C4'-P energy: -111.666 tors. eta vs tors. theta energy: -174.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1784.565558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.565558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.565558 (E_RNA) where: Base-Base interactions energy: -1112.619 where: short stacking energy: -555.038 Base-Backbone interact. energy: 5.318 local terms energy: -677.264344 where: bonds (distance) C4'-P energy: -137.661 bonds (distance) P-C4' energy: -159.696 flat angles C4'-P-C4' energy: -160.403 flat angles P-C4'-P energy: -90.753 tors. eta vs tors. theta energy: -128.752 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: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1249.853347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.853347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.853347 (E_RNA) where: Base-Base interactions energy: -667.580 where: short stacking energy: -360.982 Base-Backbone interact. energy: 0.083 local terms energy: -582.355988 where: bonds (distance) C4'-P energy: -145.002 bonds (distance) P-C4' energy: -153.462 flat angles C4'-P-C4' energy: -152.158 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -50.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -679.067545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.067545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.067545 (E_RNA) where: Base-Base interactions energy: -219.910 where: short stacking energy: -208.834 Base-Backbone interact. energy: 1.850 local terms energy: -461.007384 where: bonds (distance) C4'-P energy: -142.229 bonds (distance) P-C4' energy: -174.539 flat angles C4'-P-C4' energy: -115.303 flat angles P-C4'-P energy: -56.485 tors. eta vs tors. theta energy: 27.549 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: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3081.019908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.019908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.019908 (E_RNA) where: Base-Base interactions energy: -2078.281 where: short stacking energy: -927.525 Base-Backbone interact. energy: -2.812 local terms energy: -999.926649 where: bonds (distance) C4'-P energy: -183.776 bonds (distance) P-C4' energy: -184.724 flat angles C4'-P-C4' energy: -211.207 flat angles P-C4'-P energy: -138.323 tors. eta vs tors. theta energy: -281.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3030.471507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.471507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.471507 (E_RNA) where: Base-Base interactions energy: -2055.851 where: short stacking energy: -922.313 Base-Backbone interact. energy: -4.141 local terms energy: -970.479376 where: bonds (distance) C4'-P energy: -178.171 bonds (distance) P-C4' energy: -176.324 flat angles C4'-P-C4' energy: -203.170 flat angles P-C4'-P energy: -148.777 tors. eta vs tors. theta energy: -264.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2862.957378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.957378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.957378 (E_RNA) where: Base-Base interactions energy: -1924.697 where: short stacking energy: -865.469 Base-Backbone interact. energy: -1.093 local terms energy: -937.167459 where: bonds (distance) C4'-P energy: -173.386 bonds (distance) P-C4' energy: -170.378 flat angles C4'-P-C4' energy: -207.601 flat angles P-C4'-P energy: -141.632 tors. eta vs tors. theta energy: -244.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2663.445374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.445374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.445374 (E_RNA) where: Base-Base interactions energy: -1796.448 where: short stacking energy: -767.918 Base-Backbone interact. energy: 0.430 local terms energy: -867.426671 where: bonds (distance) C4'-P energy: -159.058 bonds (distance) P-C4' energy: -169.536 flat angles C4'-P-C4' energy: -193.758 flat angles P-C4'-P energy: -123.923 tors. eta vs tors. theta energy: -221.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2562.222835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.222835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.222835 (E_RNA) where: Base-Base interactions energy: -1697.340 where: short stacking energy: -778.391 Base-Backbone interact. energy: -1.691 local terms energy: -863.191865 where: bonds (distance) C4'-P energy: -161.527 bonds (distance) P-C4' energy: -180.213 flat angles C4'-P-C4' energy: -174.342 flat angles P-C4'-P energy: -121.405 tors. eta vs tors. theta energy: -225.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2398.114185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.114185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.114185 (E_RNA) where: Base-Base interactions energy: -1598.472 where: short stacking energy: -731.433 Base-Backbone interact. energy: -1.414 local terms energy: -798.227412 where: bonds (distance) C4'-P energy: -172.900 bonds (distance) P-C4' energy: -152.123 flat angles C4'-P-C4' energy: -163.433 flat angles P-C4'-P energy: -109.337 tors. eta vs tors. theta energy: -200.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2145.163336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.163336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.163336 (E_RNA) where: Base-Base interactions energy: -1414.770 where: short stacking energy: -678.521 Base-Backbone interact. energy: -3.196 local terms energy: -727.197270 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -150.474 flat angles C4'-P-C4' energy: -173.841 flat angles P-C4'-P energy: -91.279 tors. eta vs tors. theta energy: -162.462 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: 299 Temperature: 1.250000 Total energy: -1674.167700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.167700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.167700 (E_RNA) where: Base-Base interactions energy: -1043.847 where: short stacking energy: -507.111 Base-Backbone interact. energy: -4.749 local terms energy: -625.571875 where: bonds (distance) C4'-P energy: -134.529 bonds (distance) P-C4' energy: -146.923 flat angles C4'-P-C4' energy: -146.834 flat angles P-C4'-P energy: -99.234 tors. eta vs tors. theta energy: -98.052 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: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1108.370560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.370560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.370560 (E_RNA) where: Base-Base interactions energy: -588.118 where: short stacking energy: -305.230 Base-Backbone interact. energy: 0.499 local terms energy: -520.751201 where: bonds (distance) C4'-P energy: -145.205 bonds (distance) P-C4' energy: -138.133 flat angles C4'-P-C4' energy: -135.106 flat angles P-C4'-P energy: -92.798 tors. eta vs tors. theta energy: -9.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -684.941635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.941635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.941635 (E_RNA) where: Base-Base interactions energy: -236.052 where: short stacking energy: -161.032 Base-Backbone interact. energy: -1.099 local terms energy: -447.790519 where: bonds (distance) C4'-P energy: -137.024 bonds (distance) P-C4' energy: -157.905 flat angles C4'-P-C4' energy: -134.300 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: 49.287 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: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3111.378055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.378055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.378055 (E_RNA) where: Base-Base interactions energy: -2122.522 where: short stacking energy: -959.619 Base-Backbone interact. energy: -0.297 local terms energy: -988.558534 where: bonds (distance) C4'-P energy: -178.235 bonds (distance) P-C4' energy: -184.004 flat angles C4'-P-C4' energy: -210.799 flat angles P-C4'-P energy: -135.134 tors. eta vs tors. theta energy: -280.387 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: 300 Temperature: 0.950000 Total energy: -2977.544148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.544148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.544148 (E_RNA) where: Base-Base interactions energy: -2024.892 where: short stacking energy: -930.072 Base-Backbone interact. energy: -5.104 local terms energy: -947.548313 where: bonds (distance) C4'-P energy: -169.445 bonds (distance) P-C4' energy: -182.127 flat angles C4'-P-C4' energy: -199.566 flat angles P-C4'-P energy: -128.475 tors. eta vs tors. theta energy: -267.935 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: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2870.397741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.397741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.397741 (E_RNA) where: Base-Base interactions energy: -1922.945 where: short stacking energy: -874.830 Base-Backbone interact. energy: -0.412 local terms energy: -947.041199 where: bonds (distance) C4'-P energy: -158.272 bonds (distance) P-C4' energy: -186.553 flat angles C4'-P-C4' energy: -212.583 flat angles P-C4'-P energy: -143.871 tors. eta vs tors. theta energy: -245.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2694.913790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.913790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.913790 (E_RNA) where: Base-Base interactions energy: -1825.188 where: short stacking energy: -792.674 Base-Backbone interact. energy: -0.055 local terms energy: -869.670919 where: bonds (distance) C4'-P energy: -172.839 bonds (distance) P-C4' energy: -181.983 flat angles C4'-P-C4' energy: -176.828 flat angles P-C4'-P energy: -123.493 tors. eta vs tors. theta energy: -214.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2557.126451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.126451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.126451 (E_RNA) where: Base-Base interactions energy: -1710.879 where: short stacking energy: -766.328 Base-Backbone interact. energy: -1.815 local terms energy: -844.432702 where: bonds (distance) C4'-P energy: -171.561 bonds (distance) P-C4' energy: -160.390 flat angles C4'-P-C4' energy: -185.646 flat angles P-C4'-P energy: -112.581 tors. eta vs tors. theta energy: -214.255 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2400.022316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.022316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.022316 (E_RNA) where: Base-Base interactions energy: -1558.120 where: short stacking energy: -753.758 Base-Backbone interact. energy: -2.500 local terms energy: -839.402827 where: bonds (distance) C4'-P energy: -160.498 bonds (distance) P-C4' energy: -152.355 flat angles C4'-P-C4' energy: -188.572 flat angles P-C4'-P energy: -108.888 tors. eta vs tors. theta energy: -229.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2095.389904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.389904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.389904 (E_RNA) where: Base-Base interactions energy: -1395.051 where: short stacking energy: -632.994 Base-Backbone interact. energy: -3.634 local terms energy: -696.704285 where: bonds (distance) C4'-P energy: -149.129 bonds (distance) P-C4' energy: -161.312 flat angles C4'-P-C4' energy: -157.339 flat angles P-C4'-P energy: -88.678 tors. eta vs tors. theta energy: -140.246 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: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1701.253255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.253255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.253255 (E_RNA) where: Base-Base interactions energy: -1018.944 where: short stacking energy: -473.099 Base-Backbone interact. energy: -1.174 local terms energy: -681.135614 where: bonds (distance) C4'-P energy: -159.627 bonds (distance) P-C4' energy: -162.914 flat angles C4'-P-C4' energy: -167.626 flat angles P-C4'-P energy: -97.893 tors. eta vs tors. theta energy: -93.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1124.029431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.029431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.029431 (E_RNA) where: Base-Base interactions energy: -630.409 where: short stacking energy: -324.270 Base-Backbone interact. energy: -0.051 local terms energy: -493.569268 where: bonds (distance) C4'-P energy: -139.029 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -139.191 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -13.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -709.481428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.481428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.481428 (E_RNA) where: Base-Base interactions energy: -318.481 where: short stacking energy: -241.667 Base-Backbone interact. energy: 8.632 local terms energy: -399.632344 where: bonds (distance) C4'-P energy: -129.939 bonds (distance) P-C4' energy: -145.792 flat angles C4'-P-C4' energy: -96.958 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: 28.834 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: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3087.314223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.314223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.314223 (E_RNA) where: Base-Base interactions energy: -2089.993 where: short stacking energy: -954.600 Base-Backbone interact. energy: -3.173 local terms energy: -994.147735 where: bonds (distance) C4'-P energy: -177.667 bonds (distance) P-C4' energy: -183.520 flat angles C4'-P-C4' energy: -216.643 flat angles P-C4'-P energy: -142.430 tors. eta vs tors. theta energy: -273.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2967.037595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.037595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.037595 (E_RNA) where: Base-Base interactions energy: -1993.953 where: short stacking energy: -907.145 Base-Backbone interact. energy: -1.788 local terms energy: -971.296802 where: bonds (distance) C4'-P energy: -184.517 bonds (distance) P-C4' energy: -170.158 flat angles C4'-P-C4' energy: -213.803 flat angles P-C4'-P energy: -139.448 tors. eta vs tors. theta energy: -263.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2872.548671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.548671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.548671 (E_RNA) where: Base-Base interactions energy: -1951.163 where: short stacking energy: -908.640 Base-Backbone interact. energy: 4.002 local terms energy: -925.387252 where: bonds (distance) C4'-P energy: -152.483 bonds (distance) P-C4' energy: -174.953 flat angles C4'-P-C4' energy: -192.839 flat angles P-C4'-P energy: -145.982 tors. eta vs tors. theta energy: -259.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2668.168034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.168034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.168034 (E_RNA) where: Base-Base interactions energy: -1790.131 where: short stacking energy: -775.471 Base-Backbone interact. energy: -0.584 local terms energy: -877.452190 where: bonds (distance) C4'-P energy: -159.183 bonds (distance) P-C4' energy: -175.827 flat angles C4'-P-C4' energy: -200.751 flat angles P-C4'-P energy: -129.145 tors. eta vs tors. theta energy: -212.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2498.947327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.947327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.947327 (E_RNA) where: Base-Base interactions energy: -1640.257 where: short stacking energy: -797.083 Base-Backbone interact. energy: -3.342 local terms energy: -855.348772 where: bonds (distance) C4'-P energy: -156.832 bonds (distance) P-C4' energy: -161.976 flat angles C4'-P-C4' energy: -191.825 flat angles P-C4'-P energy: -104.732 tors. eta vs tors. theta energy: -239.983 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: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2330.896751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.896751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.896751 (E_RNA) where: Base-Base interactions energy: -1529.319 where: short stacking energy: -705.918 Base-Backbone interact. energy: 7.635 local terms energy: -809.212499 where: bonds (distance) C4'-P energy: -153.041 bonds (distance) P-C4' energy: -151.655 flat angles C4'-P-C4' energy: -181.324 flat angles P-C4'-P energy: -121.403 tors. eta vs tors. theta energy: -201.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2089.904276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.904276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.904276 (E_RNA) where: Base-Base interactions energy: -1371.770 where: short stacking energy: -597.138 Base-Backbone interact. energy: -0.750 local terms energy: -717.383988 where: bonds (distance) C4'-P energy: -141.974 bonds (distance) P-C4' energy: -146.761 flat angles C4'-P-C4' energy: -169.728 flat angles P-C4'-P energy: -113.100 tors. eta vs tors. theta energy: -145.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1683.454374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.454374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.454374 (E_RNA) where: Base-Base interactions energy: -1014.406 where: short stacking energy: -515.011 Base-Backbone interact. energy: -0.505 local terms energy: -668.544246 where: bonds (distance) C4'-P energy: -157.719 bonds (distance) P-C4' energy: -154.557 flat angles C4'-P-C4' energy: -155.294 flat angles P-C4'-P energy: -85.896 tors. eta vs tors. theta energy: -115.079 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: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1197.512532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.512532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.512532 (E_RNA) where: Base-Base interactions energy: -653.730 where: short stacking energy: -337.739 Base-Backbone interact. energy: -2.190 local terms energy: -541.592432 where: bonds (distance) C4'-P energy: -121.731 bonds (distance) P-C4' energy: -155.159 flat angles C4'-P-C4' energy: -160.472 flat angles P-C4'-P energy: -88.052 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -687.086862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.086862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.086862 (E_RNA) where: Base-Base interactions energy: -255.237 where: short stacking energy: -205.784 Base-Backbone interact. energy: 0.294 local terms energy: -432.143303 where: bonds (distance) C4'-P energy: -117.447 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -134.024 flat angles P-C4'-P energy: -82.649 tors. eta vs tors. theta energy: 38.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3115.708455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.708455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.708455 (E_RNA) where: Base-Base interactions energy: -2126.528 where: short stacking energy: -967.665 Base-Backbone interact. energy: -5.618 local terms energy: -983.562128 where: bonds (distance) C4'-P energy: -189.090 bonds (distance) P-C4' energy: -171.159 flat angles C4'-P-C4' energy: -210.594 flat angles P-C4'-P energy: -137.692 tors. eta vs tors. theta energy: -275.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2997.452444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.452444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.452444 (E_RNA) where: Base-Base interactions energy: -2033.272 where: short stacking energy: -903.170 Base-Backbone interact. energy: -5.841 local terms energy: -958.339550 where: bonds (distance) C4'-P energy: -181.302 bonds (distance) P-C4' energy: -172.570 flat angles C4'-P-C4' energy: -200.667 flat angles P-C4'-P energy: -134.603 tors. eta vs tors. theta energy: -269.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2879.801781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.801781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.801781 (E_RNA) where: Base-Base interactions energy: -1936.899 where: short stacking energy: -871.380 Base-Backbone interact. energy: -0.309 local terms energy: -942.594404 where: bonds (distance) C4'-P energy: -180.075 bonds (distance) P-C4' energy: -189.781 flat angles C4'-P-C4' energy: -185.203 flat angles P-C4'-P energy: -125.802 tors. eta vs tors. theta energy: -261.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2679.742408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.742408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.742408 (E_RNA) where: Base-Base interactions energy: -1818.919 where: short stacking energy: -781.744 Base-Backbone interact. energy: -8.923 local terms energy: -851.901226 where: bonds (distance) C4'-P energy: -152.495 bonds (distance) P-C4' energy: -177.865 flat angles C4'-P-C4' energy: -186.298 flat angles P-C4'-P energy: -124.077 tors. eta vs tors. theta energy: -211.167 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: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2480.374451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.374451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.374451 (E_RNA) where: Base-Base interactions energy: -1659.059 where: short stacking energy: -744.444 Base-Backbone interact. energy: 5.033 local terms energy: -826.349092 where: bonds (distance) C4'-P energy: -148.369 bonds (distance) P-C4' energy: -163.700 flat angles C4'-P-C4' energy: -175.759 flat angles P-C4'-P energy: -132.628 tors. eta vs tors. theta energy: -205.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2306.611863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.611863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.611863 (E_RNA) where: Base-Base interactions energy: -1473.977 where: short stacking energy: -696.156 Base-Backbone interact. energy: -4.785 local terms energy: -827.849877 where: bonds (distance) C4'-P energy: -142.698 bonds (distance) P-C4' energy: -176.881 flat angles C4'-P-C4' energy: -185.981 flat angles P-C4'-P energy: -124.354 tors. eta vs tors. theta energy: -197.937 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: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2118.144453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.144453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.144453 (E_RNA) where: Base-Base interactions energy: -1375.920 where: short stacking energy: -640.566 Base-Backbone interact. energy: -4.782 local terms energy: -737.441871 where: bonds (distance) C4'-P energy: -140.006 bonds (distance) P-C4' energy: -134.643 flat angles C4'-P-C4' energy: -175.605 flat angles P-C4'-P energy: -126.443 tors. eta vs tors. theta energy: -160.744 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: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1741.489254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.489254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.489254 (E_RNA) where: Base-Base interactions energy: -1079.794 where: short stacking energy: -502.359 Base-Backbone interact. energy: 0.691 local terms energy: -662.386831 where: bonds (distance) C4'-P energy: -150.571 bonds (distance) P-C4' energy: -153.502 flat angles C4'-P-C4' energy: -148.595 flat angles P-C4'-P energy: -102.633 tors. eta vs tors. theta energy: -107.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1206.133048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.133048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.133048 (E_RNA) where: Base-Base interactions energy: -656.772 where: short stacking energy: -352.054 Base-Backbone interact. energy: 5.733 local terms energy: -555.093349 where: bonds (distance) C4'-P energy: -152.824 bonds (distance) P-C4' energy: -175.761 flat angles C4'-P-C4' energy: -122.339 flat angles P-C4'-P energy: -65.629 tors. eta vs tors. theta energy: -38.540 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: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -697.455484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.455484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.455484 (E_RNA) where: Base-Base interactions energy: -243.327 where: short stacking energy: -197.345 Base-Backbone interact. energy: 2.580 local terms energy: -456.708772 where: bonds (distance) C4'-P energy: -140.348 bonds (distance) P-C4' energy: -151.102 flat angles C4'-P-C4' energy: -126.426 flat angles P-C4'-P energy: -63.949 tors. eta vs tors. theta energy: 25.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3114.790885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.790885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.790885 (E_RNA) where: Base-Base interactions energy: -2137.504 where: short stacking energy: -953.396 Base-Backbone interact. energy: -3.671 local terms energy: -973.616153 where: bonds (distance) C4'-P energy: -171.150 bonds (distance) P-C4' energy: -169.122 flat angles C4'-P-C4' energy: -211.270 flat angles P-C4'-P energy: -150.481 tors. eta vs tors. theta energy: -271.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -3004.373715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.373715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.373715 (E_RNA) where: Base-Base interactions energy: -2027.634 where: short stacking energy: -906.068 Base-Backbone interact. energy: -4.508 local terms energy: -972.231916 where: bonds (distance) C4'-P energy: -183.487 bonds (distance) P-C4' energy: -189.691 flat angles C4'-P-C4' energy: -204.726 flat angles P-C4'-P energy: -126.243 tors. eta vs tors. theta energy: -268.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2874.077381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.077381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.077381 (E_RNA) where: Base-Base interactions energy: -1924.817 where: short stacking energy: -894.624 Base-Backbone interact. energy: -3.304 local terms energy: -945.956242 where: bonds (distance) C4'-P energy: -169.671 bonds (distance) P-C4' energy: -184.102 flat angles C4'-P-C4' energy: -196.725 flat angles P-C4'-P energy: -143.109 tors. eta vs tors. theta energy: -252.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2676.123454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.123454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.123454 (E_RNA) where: Base-Base interactions energy: -1831.253 where: short stacking energy: -757.027 Base-Backbone interact. energy: -4.130 local terms energy: -840.741058 where: bonds (distance) C4'-P energy: -170.659 bonds (distance) P-C4' energy: -174.950 flat angles C4'-P-C4' energy: -189.406 flat angles P-C4'-P energy: -109.120 tors. eta vs tors. theta energy: -196.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2496.458092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.458092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.458092 (E_RNA) where: Base-Base interactions energy: -1664.451 where: short stacking energy: -762.262 Base-Backbone interact. energy: -1.746 local terms energy: -830.261515 where: bonds (distance) C4'-P energy: -157.665 bonds (distance) P-C4' energy: -173.975 flat angles C4'-P-C4' energy: -181.686 flat angles P-C4'-P energy: -108.701 tors. eta vs tors. theta energy: -208.234 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: 303 Temperature: 1.150000 Total energy: -2233.354732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.354732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.354732 (E_RNA) where: Base-Base interactions energy: -1444.301 where: short stacking energy: -659.092 Base-Backbone interact. energy: 2.689 local terms energy: -791.743003 where: bonds (distance) C4'-P energy: -156.950 bonds (distance) P-C4' energy: -149.225 flat angles C4'-P-C4' energy: -172.500 flat angles P-C4'-P energy: -124.586 tors. eta vs tors. theta energy: -188.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2157.156143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.156143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.156143 (E_RNA) where: Base-Base interactions energy: -1406.630 where: short stacking energy: -648.235 Base-Backbone interact. energy: -3.962 local terms energy: -746.564408 where: bonds (distance) C4'-P energy: -152.089 bonds (distance) P-C4' energy: -165.081 flat angles C4'-P-C4' energy: -156.742 flat angles P-C4'-P energy: -102.623 tors. eta vs tors. theta energy: -170.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1641.197578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.197578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.197578 (E_RNA) where: Base-Base interactions energy: -1013.980 where: short stacking energy: -460.663 Base-Backbone interact. energy: -3.765 local terms energy: -623.453116 where: bonds (distance) C4'-P energy: -148.746 bonds (distance) P-C4' energy: -142.704 flat angles C4'-P-C4' energy: -161.707 flat angles P-C4'-P energy: -100.142 tors. eta vs tors. theta energy: -70.155 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: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1222.382232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.382232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.382232 (E_RNA) where: Base-Base interactions energy: -699.815 where: short stacking energy: -310.814 Base-Backbone interact. energy: -4.462 local terms energy: -518.105235 where: bonds (distance) C4'-P energy: -136.707 bonds (distance) P-C4' energy: -140.265 flat angles C4'-P-C4' energy: -151.528 flat angles P-C4'-P energy: -84.701 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -714.917409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.917409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.917409 (E_RNA) where: Base-Base interactions energy: -277.212 where: short stacking energy: -214.014 Base-Backbone interact. energy: 2.297 local terms energy: -440.001822 where: bonds (distance) C4'-P energy: -120.991 bonds (distance) P-C4' energy: -164.175 flat angles C4'-P-C4' energy: -112.636 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: 24.544 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: 304 Temperature: 0.900000 Total energy: -3092.633688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.633688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.633688 (E_RNA) where: Base-Base interactions energy: -2080.258 where: short stacking energy: -950.914 Base-Backbone interact. energy: 0.234 local terms energy: -1012.609581 where: bonds (distance) C4'-P energy: -180.390 bonds (distance) P-C4' energy: -176.984 flat angles C4'-P-C4' energy: -221.272 flat angles P-C4'-P energy: -150.000 tors. eta vs tors. theta energy: -283.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2995.988915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.988915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.988915 (E_RNA) where: Base-Base interactions energy: -2030.884 where: short stacking energy: -904.196 Base-Backbone interact. energy: -3.373 local terms energy: -961.732261 where: bonds (distance) C4'-P energy: -185.659 bonds (distance) P-C4' energy: -177.871 flat angles C4'-P-C4' energy: -192.843 flat angles P-C4'-P energy: -128.974 tors. eta vs tors. theta energy: -276.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2840.223557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.223557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.223557 (E_RNA) where: Base-Base interactions energy: -1915.969 where: short stacking energy: -864.950 Base-Backbone interact. energy: -3.278 local terms energy: -920.976596 where: bonds (distance) C4'-P energy: -160.035 bonds (distance) P-C4' energy: -172.879 flat angles C4'-P-C4' energy: -199.442 flat angles P-C4'-P energy: -141.121 tors. eta vs tors. theta energy: -247.500 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: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2706.037117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.037117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.037117 (E_RNA) where: Base-Base interactions energy: -1863.888 where: short stacking energy: -810.110 Base-Backbone interact. energy: -4.261 local terms energy: -837.888481 where: bonds (distance) C4'-P energy: -161.071 bonds (distance) P-C4' energy: -154.502 flat angles C4'-P-C4' energy: -183.009 flat angles P-C4'-P energy: -130.064 tors. eta vs tors. theta energy: -209.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2572.664357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.664357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.664357 (E_RNA) where: Base-Base interactions energy: -1668.687 where: short stacking energy: -788.772 Base-Backbone interact. energy: -0.886 local terms energy: -903.091230 where: bonds (distance) C4'-P energy: -174.169 bonds (distance) P-C4' energy: -185.077 flat angles C4'-P-C4' energy: -190.961 flat angles P-C4'-P energy: -115.740 tors. eta vs tors. theta energy: -237.144 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2264.730632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.730632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.730632 (E_RNA) where: Base-Base interactions energy: -1496.344 where: short stacking energy: -680.418 Base-Backbone interact. energy: -0.706 local terms energy: -767.681227 where: bonds (distance) C4'-P energy: -154.678 bonds (distance) P-C4' energy: -141.611 flat angles C4'-P-C4' energy: -185.794 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -173.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2184.911006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.911006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.911006 (E_RNA) where: Base-Base interactions energy: -1462.640 where: short stacking energy: -677.561 Base-Backbone interact. energy: 8.800 local terms energy: -731.071348 where: bonds (distance) C4'-P energy: -154.810 bonds (distance) P-C4' energy: -143.458 flat angles C4'-P-C4' energy: -156.837 flat angles P-C4'-P energy: -89.683 tors. eta vs tors. theta energy: -186.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1647.326503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.326503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.326503 (E_RNA) where: Base-Base interactions energy: -1021.478 where: short stacking energy: -481.754 Base-Backbone interact. energy: -1.499 local terms energy: -624.349635 where: bonds (distance) C4'-P energy: -134.201 bonds (distance) P-C4' energy: -166.124 flat angles C4'-P-C4' energy: -136.981 flat angles P-C4'-P energy: -87.564 tors. eta vs tors. theta energy: -99.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1172.870452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.870452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.870452 (E_RNA) where: Base-Base interactions energy: -628.616 where: short stacking energy: -351.096 Base-Backbone interact. energy: 1.764 local terms energy: -546.018581 where: bonds (distance) C4'-P energy: -145.935 bonds (distance) P-C4' energy: -152.471 flat angles C4'-P-C4' energy: -149.509 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: -27.767 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: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -690.172801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.172801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.172801 (E_RNA) where: Base-Base interactions energy: -238.426 where: short stacking energy: -180.106 Base-Backbone interact. energy: 0.697 local terms energy: -452.444164 where: bonds (distance) C4'-P energy: -147.756 bonds (distance) P-C4' energy: -141.983 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -75.881 tors. eta vs tors. theta energy: 34.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3102.320197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.320197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.320197 (E_RNA) where: Base-Base interactions energy: -2100.630 where: short stacking energy: -945.848 Base-Backbone interact. energy: -2.174 local terms energy: -999.515383 where: bonds (distance) C4'-P energy: -184.166 bonds (distance) P-C4' energy: -183.713 flat angles C4'-P-C4' energy: -210.903 flat angles P-C4'-P energy: -150.609 tors. eta vs tors. theta energy: -270.125 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: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2982.484891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.484891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.484891 (E_RNA) where: Base-Base interactions energy: -2023.588 where: short stacking energy: -913.033 Base-Backbone interact. energy: -0.327 local terms energy: -958.569846 where: bonds (distance) C4'-P energy: -189.509 bonds (distance) P-C4' energy: -188.697 flat angles C4'-P-C4' energy: -197.842 flat angles P-C4'-P energy: -129.520 tors. eta vs tors. theta energy: -253.002 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: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2855.880726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.880726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.880726 (E_RNA) where: Base-Base interactions energy: -1946.739 where: short stacking energy: -899.131 Base-Backbone interact. energy: -2.682 local terms energy: -906.459615 where: bonds (distance) C4'-P energy: -168.162 bonds (distance) P-C4' energy: -167.566 flat angles C4'-P-C4' energy: -196.835 flat angles P-C4'-P energy: -128.216 tors. eta vs tors. theta energy: -245.680 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: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2711.623670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.623670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.623670 (E_RNA) where: Base-Base interactions energy: -1859.038 where: short stacking energy: -819.818 Base-Backbone interact. energy: -3.881 local terms energy: -848.704054 where: bonds (distance) C4'-P energy: -155.214 bonds (distance) P-C4' energy: -156.797 flat angles C4'-P-C4' energy: -183.857 flat angles P-C4'-P energy: -132.285 tors. eta vs tors. theta energy: -220.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2551.314033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.314033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.314033 (E_RNA) where: Base-Base interactions energy: -1707.932 where: short stacking energy: -781.181 Base-Backbone interact. energy: -0.953 local terms energy: -842.428951 where: bonds (distance) C4'-P energy: -145.647 bonds (distance) P-C4' energy: -167.066 flat angles C4'-P-C4' energy: -188.932 flat angles P-C4'-P energy: -124.119 tors. eta vs tors. theta energy: -216.665 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: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2284.910926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.910926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.910926 (E_RNA) where: Base-Base interactions energy: -1503.339 where: short stacking energy: -714.272 Base-Backbone interact. energy: -0.268 local terms energy: -781.304215 where: bonds (distance) C4'-P energy: -140.605 bonds (distance) P-C4' energy: -160.122 flat angles C4'-P-C4' energy: -165.750 flat angles P-C4'-P energy: -119.756 tors. eta vs tors. theta energy: -195.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2042.210221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.210221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.210221 (E_RNA) where: Base-Base interactions energy: -1330.737 where: short stacking energy: -629.481 Base-Backbone interact. energy: 8.913 local terms energy: -720.386109 where: bonds (distance) C4'-P energy: -140.848 bonds (distance) P-C4' energy: -157.705 flat angles C4'-P-C4' energy: -164.979 flat angles P-C4'-P energy: -102.393 tors. eta vs tors. theta energy: -154.461 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: 305 Temperature: 1.250000 Total energy: -1531.305169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.305169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.305169 (E_RNA) where: Base-Base interactions energy: -920.555 where: short stacking energy: -455.910 Base-Backbone interact. energy: -3.675 local terms energy: -607.075256 where: bonds (distance) C4'-P energy: -139.991 bonds (distance) P-C4' energy: -152.471 flat angles C4'-P-C4' energy: -140.643 flat angles P-C4'-P energy: -96.950 tors. eta vs tors. theta energy: -77.020 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: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1172.015097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.015097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.015097 (E_RNA) where: Base-Base interactions energy: -632.577 where: short stacking energy: -336.392 Base-Backbone interact. energy: 6.322 local terms energy: -545.759869 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -158.046 flat angles C4'-P-C4' energy: -140.595 flat angles P-C4'-P energy: -74.814 tors. eta vs tors. theta energy: -35.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -718.697088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.697088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.697088 (E_RNA) where: Base-Base interactions energy: -253.847 where: short stacking energy: -201.872 Base-Backbone interact. energy: 11.796 local terms energy: -476.646472 where: bonds (distance) C4'-P energy: -146.311 bonds (distance) P-C4' energy: -173.288 flat angles C4'-P-C4' energy: -116.386 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: 29.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3087.493587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.493587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.493587 (E_RNA) where: Base-Base interactions energy: -2108.849 where: short stacking energy: -957.770 Base-Backbone interact. energy: -5.778 local terms energy: -972.866871 where: bonds (distance) C4'-P energy: -177.454 bonds (distance) P-C4' energy: -172.587 flat angles C4'-P-C4' energy: -213.250 flat angles P-C4'-P energy: -137.445 tors. eta vs tors. theta energy: -272.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2962.210997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.210997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.210997 (E_RNA) where: Base-Base interactions energy: -2009.797 where: short stacking energy: -926.870 Base-Backbone interact. energy: -2.221 local terms energy: -950.192679 where: bonds (distance) C4'-P energy: -176.384 bonds (distance) P-C4' energy: -183.622 flat angles C4'-P-C4' energy: -193.733 flat angles P-C4'-P energy: -123.478 tors. eta vs tors. theta energy: -272.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2876.103406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.103406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.103406 (E_RNA) where: Base-Base interactions energy: -1939.463 where: short stacking energy: -876.022 Base-Backbone interact. energy: -3.785 local terms energy: -932.855271 where: bonds (distance) C4'-P energy: -171.329 bonds (distance) P-C4' energy: -179.340 flat angles C4'-P-C4' energy: -189.516 flat angles P-C4'-P energy: -133.207 tors. eta vs tors. theta energy: -259.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2697.854822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.854822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.854822 (E_RNA) where: Base-Base interactions energy: -1845.919 where: short stacking energy: -803.529 Base-Backbone interact. energy: -3.848 local terms energy: -848.088085 where: bonds (distance) C4'-P energy: -158.437 bonds (distance) P-C4' energy: -170.737 flat angles C4'-P-C4' energy: -193.216 flat angles P-C4'-P energy: -110.019 tors. eta vs tors. theta energy: -215.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2511.911476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.911476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.911476 (E_RNA) where: Base-Base interactions energy: -1692.776 where: short stacking energy: -798.499 Base-Backbone interact. energy: 7.251 local terms energy: -826.386106 where: bonds (distance) C4'-P energy: -156.282 bonds (distance) P-C4' energy: -156.090 flat angles C4'-P-C4' energy: -182.424 flat angles P-C4'-P energy: -114.475 tors. eta vs tors. theta energy: -217.114 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: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2325.703163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.703163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.703163 (E_RNA) where: Base-Base interactions energy: -1512.330 where: short stacking energy: -708.542 Base-Backbone interact. energy: -3.114 local terms energy: -810.259900 where: bonds (distance) C4'-P energy: -168.925 bonds (distance) P-C4' energy: -163.460 flat angles C4'-P-C4' energy: -173.314 flat angles P-C4'-P energy: -107.684 tors. eta vs tors. theta energy: -196.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2012.106037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.106037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.106037 (E_RNA) where: Base-Base interactions energy: -1284.286 where: short stacking energy: -606.735 Base-Backbone interact. energy: 0.309 local terms energy: -728.129082 where: bonds (distance) C4'-P energy: -144.372 bonds (distance) P-C4' energy: -157.589 flat angles C4'-P-C4' energy: -176.915 flat angles P-C4'-P energy: -107.159 tors. eta vs tors. theta energy: -142.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1529.350991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.350991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.350991 (E_RNA) where: Base-Base interactions energy: -912.599 where: short stacking energy: -462.845 Base-Backbone interact. energy: -1.065 local terms energy: -615.686643 where: bonds (distance) C4'-P energy: -147.844 bonds (distance) P-C4' energy: -136.967 flat angles C4'-P-C4' energy: -150.251 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -104.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1093.076866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.076866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.076866 (E_RNA) where: Base-Base interactions energy: -549.931 where: short stacking energy: -295.295 Base-Backbone interact. energy: -1.093 local terms energy: -542.052535 where: bonds (distance) C4'-P energy: -151.020 bonds (distance) P-C4' energy: -152.171 flat angles C4'-P-C4' energy: -136.905 flat angles P-C4'-P energy: -88.132 tors. eta vs tors. theta energy: -13.824 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: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -670.341653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.341653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.341653 (E_RNA) where: Base-Base interactions energy: -258.677 where: short stacking energy: -189.785 Base-Backbone interact. energy: 4.187 local terms energy: -415.852054 where: bonds (distance) C4'-P energy: -124.813 bonds (distance) P-C4' energy: -136.022 flat angles C4'-P-C4' energy: -124.018 flat angles P-C4'-P energy: -62.496 tors. eta vs tors. theta energy: 31.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3132.636848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.636848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.636848 (E_RNA) where: Base-Base interactions energy: -2125.919 where: short stacking energy: -965.969 Base-Backbone interact. energy: -4.303 local terms energy: -1002.414988 where: bonds (distance) C4'-P energy: -175.162 bonds (distance) P-C4' energy: -188.491 flat angles C4'-P-C4' energy: -208.092 flat angles P-C4'-P energy: -143.800 tors. eta vs tors. theta energy: -286.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2976.317207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.317207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.317207 (E_RNA) where: Base-Base interactions energy: -2027.198 where: short stacking energy: -917.639 Base-Backbone interact. energy: -1.800 local terms energy: -947.319156 where: bonds (distance) C4'-P energy: -171.216 bonds (distance) P-C4' energy: -165.263 flat angles C4'-P-C4' energy: -211.902 flat angles P-C4'-P energy: -145.969 tors. eta vs tors. theta energy: -252.969 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: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2916.198803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.198803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.198803 (E_RNA) where: Base-Base interactions energy: -2026.785 where: short stacking energy: -923.355 Base-Backbone interact. energy: -2.744 local terms energy: -886.669576 where: bonds (distance) C4'-P energy: -163.022 bonds (distance) P-C4' energy: -149.777 flat angles C4'-P-C4' energy: -188.896 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -270.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2695.924160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.924160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.924160 (E_RNA) where: Base-Base interactions energy: -1831.937 where: short stacking energy: -780.740 Base-Backbone interact. energy: -3.328 local terms energy: -860.658842 where: bonds (distance) C4'-P energy: -175.750 bonds (distance) P-C4' energy: -186.650 flat angles C4'-P-C4' energy: -178.061 flat angles P-C4'-P energy: -126.014 tors. eta vs tors. theta energy: -194.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2436.270247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.270247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.270247 (E_RNA) where: Base-Base interactions energy: -1625.508 where: short stacking energy: -711.609 Base-Backbone interact. energy: 0.525 local terms energy: -811.286576 where: bonds (distance) C4'-P energy: -167.069 bonds (distance) P-C4' energy: -180.336 flat angles C4'-P-C4' energy: -163.526 flat angles P-C4'-P energy: -111.199 tors. eta vs tors. theta energy: -189.156 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: 307 Temperature: 1.150000 Total energy: -2308.674836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.674836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.674836 (E_RNA) where: Base-Base interactions energy: -1503.169 where: short stacking energy: -722.357 Base-Backbone interact. energy: -4.139 local terms energy: -801.367610 where: bonds (distance) C4'-P energy: -173.408 bonds (distance) P-C4' energy: -162.949 flat angles C4'-P-C4' energy: -162.749 flat angles P-C4'-P energy: -108.209 tors. eta vs tors. theta energy: -194.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2001.344931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.344931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.344931 (E_RNA) where: Base-Base interactions energy: -1292.069 where: short stacking energy: -603.260 Base-Backbone interact. energy: -3.649 local terms energy: -705.626958 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -153.686 flat angles C4'-P-C4' energy: -156.619 flat angles P-C4'-P energy: -103.289 tors. eta vs tors. theta energy: -161.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1544.005019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.005019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.005019 (E_RNA) where: Base-Base interactions energy: -925.032 where: short stacking energy: -446.694 Base-Backbone interact. energy: -0.580 local terms energy: -618.392761 where: bonds (distance) C4'-P energy: -148.785 bonds (distance) P-C4' energy: -176.315 flat angles C4'-P-C4' energy: -140.470 flat angles P-C4'-P energy: -102.977 tors. eta vs tors. theta energy: -49.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1121.504407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.504407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.504407 (E_RNA) where: Base-Base interactions energy: -639.902 where: short stacking energy: -307.578 Base-Backbone interact. energy: -2.197 local terms energy: -479.405552 where: bonds (distance) C4'-P energy: -135.363 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -126.347 flat angles P-C4'-P energy: -60.741 tors. eta vs tors. theta energy: 1.290 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: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -687.426292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.426292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.426292 (E_RNA) where: Base-Base interactions energy: -256.591 where: short stacking energy: -204.039 Base-Backbone interact. energy: 2.132 local terms energy: -432.967251 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -147.706 flat angles C4'-P-C4' energy: -139.947 flat angles P-C4'-P energy: -61.144 tors. eta vs tors. theta energy: 33.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3127.786963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.786963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.786963 (E_RNA) where: Base-Base interactions energy: -2118.925 where: short stacking energy: -956.597 Base-Backbone interact. energy: -6.104 local terms energy: -1002.758484 where: bonds (distance) C4'-P energy: -185.225 bonds (distance) P-C4' energy: -177.502 flat angles C4'-P-C4' energy: -215.894 flat angles P-C4'-P energy: -140.869 tors. eta vs tors. theta energy: -283.268 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: 308 Temperature: 0.950000 Total energy: -2961.136245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.136245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.136245 (E_RNA) where: Base-Base interactions energy: -1990.759 where: short stacking energy: -912.552 Base-Backbone interact. energy: 5.212 local terms energy: -975.589384 where: bonds (distance) C4'-P energy: -181.444 bonds (distance) P-C4' energy: -171.417 flat angles C4'-P-C4' energy: -210.018 flat angles P-C4'-P energy: -134.669 tors. eta vs tors. theta energy: -278.041 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: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2829.993130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.993130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.993130 (E_RNA) where: Base-Base interactions energy: -1915.993 where: short stacking energy: -875.529 Base-Backbone interact. energy: -4.915 local terms energy: -909.085901 where: bonds (distance) C4'-P energy: -148.051 bonds (distance) P-C4' energy: -180.697 flat angles C4'-P-C4' energy: -195.001 flat angles P-C4'-P energy: -128.769 tors. eta vs tors. theta energy: -256.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2669.807707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.807707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.807707 (E_RNA) where: Base-Base interactions energy: -1814.428 where: short stacking energy: -785.136 Base-Backbone interact. energy: -0.314 local terms energy: -855.065528 where: bonds (distance) C4'-P energy: -169.787 bonds (distance) P-C4' energy: -169.861 flat angles C4'-P-C4' energy: -186.540 flat angles P-C4'-P energy: -121.680 tors. eta vs tors. theta energy: -207.197 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: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2435.179640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.179640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.179640 (E_RNA) where: Base-Base interactions energy: -1609.390 where: short stacking energy: -711.734 Base-Backbone interact. energy: -0.901 local terms energy: -824.888843 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -163.208 flat angles C4'-P-C4' energy: -177.916 flat angles P-C4'-P energy: -140.819 tors. eta vs tors. theta energy: -194.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2318.021730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.021730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.021730 (E_RNA) where: Base-Base interactions energy: -1506.999 where: short stacking energy: -714.173 Base-Backbone interact. energy: -1.650 local terms energy: -809.372769 where: bonds (distance) C4'-P energy: -174.222 bonds (distance) P-C4' energy: -144.352 flat angles C4'-P-C4' energy: -172.888 flat angles P-C4'-P energy: -127.223 tors. eta vs tors. theta energy: -190.687 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: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1982.963143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.963143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.963143 (E_RNA) where: Base-Base interactions energy: -1249.110 where: short stacking energy: -585.143 Base-Backbone interact. energy: -2.523 local terms energy: -731.329990 where: bonds (distance) C4'-P energy: -165.201 bonds (distance) P-C4' energy: -142.179 flat angles C4'-P-C4' energy: -174.567 flat angles P-C4'-P energy: -104.010 tors. eta vs tors. theta energy: -145.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1564.388614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.388614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.388614 (E_RNA) where: Base-Base interactions energy: -960.723 where: short stacking energy: -457.962 Base-Backbone interact. energy: 5.490 local terms energy: -609.155573 where: bonds (distance) C4'-P energy: -135.085 bonds (distance) P-C4' energy: -149.076 flat angles C4'-P-C4' energy: -167.988 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: -74.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1137.544081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.544081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.544081 (E_RNA) where: Base-Base interactions energy: -616.781 where: short stacking energy: -302.011 Base-Backbone interact. energy: 3.405 local terms energy: -524.167222 where: bonds (distance) C4'-P energy: -149.767 bonds (distance) P-C4' energy: -163.896 flat angles C4'-P-C4' energy: -135.951 flat angles P-C4'-P energy: -59.236 tors. eta vs tors. theta energy: -15.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -665.677342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.677342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.677342 (E_RNA) where: Base-Base interactions energy: -222.492 where: short stacking energy: -193.197 Base-Backbone interact. energy: 3.051 local terms energy: -446.236650 where: bonds (distance) C4'-P energy: -131.951 bonds (distance) P-C4' energy: -160.951 flat angles C4'-P-C4' energy: -146.324 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: 46.351 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: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3090.708260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.708260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.708260 (E_RNA) where: Base-Base interactions energy: -2098.710 where: short stacking energy: -900.079 Base-Backbone interact. energy: -5.512 local terms energy: -986.486323 where: bonds (distance) C4'-P energy: -185.866 bonds (distance) P-C4' energy: -187.904 flat angles C4'-P-C4' energy: -218.462 flat angles P-C4'-P energy: -131.041 tors. eta vs tors. theta energy: -263.214 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2966.918969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.918969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.918969 (E_RNA) where: Base-Base interactions energy: -1993.218 where: short stacking energy: -911.139 Base-Backbone interact. energy: -1.987 local terms energy: -971.714725 where: bonds (distance) C4'-P energy: -166.094 bonds (distance) P-C4' energy: -179.271 flat angles C4'-P-C4' energy: -193.141 flat angles P-C4'-P energy: -152.223 tors. eta vs tors. theta energy: -280.985 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: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2860.809223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.809223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.809223 (E_RNA) where: Base-Base interactions energy: -1924.661 where: short stacking energy: -867.582 Base-Backbone interact. energy: -4.702 local terms energy: -931.446090 where: bonds (distance) C4'-P energy: -179.112 bonds (distance) P-C4' energy: -168.534 flat angles C4'-P-C4' energy: -203.347 flat angles P-C4'-P energy: -136.158 tors. eta vs tors. theta energy: -244.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2677.411433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.411433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.411433 (E_RNA) where: Base-Base interactions energy: -1822.160 where: short stacking energy: -786.486 Base-Backbone interact. energy: -3.302 local terms energy: -851.950222 where: bonds (distance) C4'-P energy: -159.074 bonds (distance) P-C4' energy: -169.777 flat angles C4'-P-C4' energy: -187.158 flat angles P-C4'-P energy: -122.955 tors. eta vs tors. theta energy: -212.986 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2475.273870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.273870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.273870 (E_RNA) where: Base-Base interactions energy: -1627.933 where: short stacking energy: -746.107 Base-Backbone interact. energy: 2.157 local terms energy: -849.497833 where: bonds (distance) C4'-P energy: -159.262 bonds (distance) P-C4' energy: -180.722 flat angles C4'-P-C4' energy: -174.128 flat angles P-C4'-P energy: -125.761 tors. eta vs tors. theta energy: -209.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2310.807717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.807717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.807717 (E_RNA) where: Base-Base interactions energy: -1522.592 where: short stacking energy: -717.495 Base-Backbone interact. energy: -4.589 local terms energy: -783.626484 where: bonds (distance) C4'-P energy: -141.152 bonds (distance) P-C4' energy: -163.167 flat angles C4'-P-C4' energy: -166.639 flat angles P-C4'-P energy: -109.291 tors. eta vs tors. theta energy: -203.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1896.644819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.644819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.644819 (E_RNA) where: Base-Base interactions energy: -1184.845 where: short stacking energy: -552.461 Base-Backbone interact. energy: -2.453 local terms energy: -709.346522 where: bonds (distance) C4'-P energy: -163.665 bonds (distance) P-C4' energy: -157.000 flat angles C4'-P-C4' energy: -160.658 flat angles P-C4'-P energy: -111.845 tors. eta vs tors. theta energy: -116.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1494.046118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.046118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.046118 (E_RNA) where: Base-Base interactions energy: -903.653 where: short stacking energy: -455.942 Base-Backbone interact. energy: -2.228 local terms energy: -588.165116 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -145.882 flat angles C4'-P-C4' energy: -144.783 flat angles P-C4'-P energy: -85.533 tors. eta vs tors. theta energy: -57.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1127.423288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.423288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.423288 (E_RNA) where: Base-Base interactions energy: -609.517 where: short stacking energy: -319.687 Base-Backbone interact. energy: -1.818 local terms energy: -516.087887 where: bonds (distance) C4'-P energy: -143.038 bonds (distance) P-C4' energy: -139.907 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -82.212 tors. eta vs tors. theta energy: -16.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -690.430384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.430384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.430384 (E_RNA) where: Base-Base interactions energy: -230.338 where: short stacking energy: -188.786 Base-Backbone interact. energy: -3.424 local terms energy: -456.668541 where: bonds (distance) C4'-P energy: -162.341 bonds (distance) P-C4' energy: -149.523 flat angles C4'-P-C4' energy: -127.872 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: 38.645 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: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3115.019570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.019570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.019570 (E_RNA) where: Base-Base interactions energy: -2110.859 where: short stacking energy: -948.633 Base-Backbone interact. energy: -2.046 local terms energy: -1002.114133 where: bonds (distance) C4'-P energy: -184.697 bonds (distance) P-C4' energy: -182.596 flat angles C4'-P-C4' energy: -209.239 flat angles P-C4'-P energy: -144.303 tors. eta vs tors. theta energy: -281.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2986.137505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.137505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.137505 (E_RNA) where: Base-Base interactions energy: -2000.254 where: short stacking energy: -935.828 Base-Backbone interact. energy: -1.193 local terms energy: -984.690055 where: bonds (distance) C4'-P energy: -182.095 bonds (distance) P-C4' energy: -181.542 flat angles C4'-P-C4' energy: -199.128 flat angles P-C4'-P energy: -140.889 tors. eta vs tors. theta energy: -281.036 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: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2863.082936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.082936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.082936 (E_RNA) where: Base-Base interactions energy: -1883.310 where: short stacking energy: -872.894 Base-Backbone interact. energy: -4.692 local terms energy: -975.080490 where: bonds (distance) C4'-P energy: -181.300 bonds (distance) P-C4' energy: -177.517 flat angles C4'-P-C4' energy: -206.299 flat angles P-C4'-P energy: -131.300 tors. eta vs tors. theta energy: -278.664 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: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2653.826362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.826362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.826362 (E_RNA) where: Base-Base interactions energy: -1820.859 where: short stacking energy: -785.786 Base-Backbone interact. energy: -5.763 local terms energy: -827.203817 where: bonds (distance) C4'-P energy: -166.257 bonds (distance) P-C4' energy: -165.337 flat angles C4'-P-C4' energy: -183.088 flat angles P-C4'-P energy: -106.245 tors. eta vs tors. theta energy: -206.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2469.007134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.007134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.007134 (E_RNA) where: Base-Base interactions energy: -1653.776 where: short stacking energy: -741.867 Base-Backbone interact. energy: 0.651 local terms energy: -815.882198 where: bonds (distance) C4'-P energy: -158.419 bonds (distance) P-C4' energy: -159.495 flat angles C4'-P-C4' energy: -169.135 flat angles P-C4'-P energy: -121.793 tors. eta vs tors. theta energy: -207.040 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: 310 Temperature: 1.150000 Total energy: -2278.127837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.127837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.127837 (E_RNA) where: Base-Base interactions energy: -1472.316 where: short stacking energy: -685.927 Base-Backbone interact. energy: -1.825 local terms energy: -803.986547 where: bonds (distance) C4'-P energy: -160.509 bonds (distance) P-C4' energy: -182.123 flat angles C4'-P-C4' energy: -172.827 flat angles P-C4'-P energy: -103.395 tors. eta vs tors. theta energy: -185.133 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: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1948.112479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.112479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.112479 (E_RNA) where: Base-Base interactions energy: -1246.403 where: short stacking energy: -617.137 Base-Backbone interact. energy: -4.622 local terms energy: -697.087153 where: bonds (distance) C4'-P energy: -152.496 bonds (distance) P-C4' energy: -172.163 flat angles C4'-P-C4' energy: -143.749 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -140.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1509.121366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.121366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.121366 (E_RNA) where: Base-Base interactions energy: -885.310 where: short stacking energy: -421.470 Base-Backbone interact. energy: -4.648 local terms energy: -619.163513 where: bonds (distance) C4'-P energy: -154.748 bonds (distance) P-C4' energy: -147.523 flat angles C4'-P-C4' energy: -149.957 flat angles P-C4'-P energy: -103.751 tors. eta vs tors. theta energy: -63.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1119.127435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.127435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.127435 (E_RNA) where: Base-Base interactions energy: -578.709 where: short stacking energy: -290.537 Base-Backbone interact. energy: 1.572 local terms energy: -541.990719 where: bonds (distance) C4'-P energy: -142.033 bonds (distance) P-C4' energy: -162.581 flat angles C4'-P-C4' energy: -140.917 flat angles P-C4'-P energy: -76.904 tors. eta vs tors. theta energy: -19.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -730.767406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.767406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.767406 (E_RNA) where: Base-Base interactions energy: -265.189 where: short stacking energy: -239.958 Base-Backbone interact. energy: 0.606 local terms energy: -466.184801 where: bonds (distance) C4'-P energy: -151.690 bonds (distance) P-C4' energy: -145.295 flat angles C4'-P-C4' energy: -121.203 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: 16.379 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: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3101.194956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.194956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.194956 (E_RNA) where: Base-Base interactions energy: -2105.206 where: short stacking energy: -958.471 Base-Backbone interact. energy: -2.865 local terms energy: -993.124058 where: bonds (distance) C4'-P energy: -193.637 bonds (distance) P-C4' energy: -176.400 flat angles C4'-P-C4' energy: -198.223 flat angles P-C4'-P energy: -132.357 tors. eta vs tors. theta energy: -292.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2962.163851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.163851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.163851 (E_RNA) where: Base-Base interactions energy: -1995.639 where: short stacking energy: -935.829 Base-Backbone interact. energy: -3.440 local terms energy: -963.084574 where: bonds (distance) C4'-P energy: -182.336 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -214.375 flat angles P-C4'-P energy: -152.966 tors. eta vs tors. theta energy: -267.451 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2847.535327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.535327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.535327 (E_RNA) where: Base-Base interactions energy: -1930.299 where: short stacking energy: -888.132 Base-Backbone interact. energy: -1.223 local terms energy: -916.013346 where: bonds (distance) C4'-P energy: -158.632 bonds (distance) P-C4' energy: -165.754 flat angles C4'-P-C4' energy: -188.796 flat angles P-C4'-P energy: -126.482 tors. eta vs tors. theta energy: -276.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2693.968199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.968199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.968199 (E_RNA) where: Base-Base interactions energy: -1844.278 where: short stacking energy: -798.394 Base-Backbone interact. energy: -0.649 local terms energy: -849.040710 where: bonds (distance) C4'-P energy: -161.745 bonds (distance) P-C4' energy: -158.647 flat angles C4'-P-C4' energy: -190.803 flat angles P-C4'-P energy: -118.898 tors. eta vs tors. theta energy: -218.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2471.065070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.065070 (E_RNA) where: Base-Base interactions energy: -1630.295 where: short stacking energy: -748.627 Base-Backbone interact. energy: 0.895 local terms energy: -841.665476 where: bonds (distance) C4'-P energy: -155.293 bonds (distance) P-C4' energy: -179.245 flat angles C4'-P-C4' energy: -180.542 flat angles P-C4'-P energy: -119.006 tors. eta vs tors. theta energy: -207.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2320.760041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.760041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.760041 (E_RNA) where: Base-Base interactions energy: -1520.231 where: short stacking energy: -720.119 Base-Backbone interact. energy: -1.560 local terms energy: -798.969067 where: bonds (distance) C4'-P energy: -155.996 bonds (distance) P-C4' energy: -165.315 flat angles C4'-P-C4' energy: -179.273 flat angles P-C4'-P energy: -110.974 tors. eta vs tors. theta energy: -187.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1945.692001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.692001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.692001 (E_RNA) where: Base-Base interactions energy: -1235.634 where: short stacking energy: -579.994 Base-Backbone interact. energy: -0.764 local terms energy: -709.294427 where: bonds (distance) C4'-P energy: -148.498 bonds (distance) P-C4' energy: -142.866 flat angles C4'-P-C4' energy: -176.571 flat angles P-C4'-P energy: -112.991 tors. eta vs tors. theta energy: -128.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1557.668287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.668287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.668287 (E_RNA) where: Base-Base interactions energy: -908.116 where: short stacking energy: -467.718 Base-Backbone interact. energy: -1.453 local terms energy: -648.099834 where: bonds (distance) C4'-P energy: -156.111 bonds (distance) P-C4' energy: -154.250 flat angles C4'-P-C4' energy: -148.535 flat angles P-C4'-P energy: -101.848 tors. eta vs tors. theta energy: -87.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1093.136768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.136768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.136768 (E_RNA) where: Base-Base interactions energy: -587.689 where: short stacking energy: -310.016 Base-Backbone interact. energy: 1.696 local terms energy: -507.144133 where: bonds (distance) C4'-P energy: -151.424 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -130.413 flat angles P-C4'-P energy: -75.347 tors. eta vs tors. theta energy: -9.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -693.529412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.529412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.529412 (E_RNA) where: Base-Base interactions energy: -233.448 where: short stacking energy: -188.823 Base-Backbone interact. energy: 0.415 local terms energy: -460.496171 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -141.514 flat angles C4'-P-C4' energy: -137.402 flat angles P-C4'-P energy: -76.453 tors. eta vs tors. theta energy: 27.160 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: 312 Temperature: 0.900000 Total energy: -3107.646531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.646531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.646531 (E_RNA) where: Base-Base interactions energy: -2133.275 where: short stacking energy: -974.888 Base-Backbone interact. energy: -6.877 local terms energy: -967.495003 where: bonds (distance) C4'-P energy: -172.571 bonds (distance) P-C4' energy: -188.229 flat angles C4'-P-C4' energy: -207.019 flat angles P-C4'-P energy: -121.016 tors. eta vs tors. theta energy: -278.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2931.752638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.752638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.752638 (E_RNA) where: Base-Base interactions energy: -1962.288 where: short stacking energy: -884.248 Base-Backbone interact. energy: 0.739 local terms energy: -970.203298 where: bonds (distance) C4'-P energy: -169.246 bonds (distance) P-C4' energy: -189.935 flat angles C4'-P-C4' energy: -205.786 flat angles P-C4'-P energy: -154.215 tors. eta vs tors. theta energy: -251.022 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: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2828.025056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.025056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.025056 (E_RNA) where: Base-Base interactions energy: -1915.510 where: short stacking energy: -865.379 Base-Backbone interact. energy: -3.923 local terms energy: -908.591571 where: bonds (distance) C4'-P energy: -173.610 bonds (distance) P-C4' energy: -147.294 flat angles C4'-P-C4' energy: -201.608 flat angles P-C4'-P energy: -119.237 tors. eta vs tors. theta energy: -266.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2710.475713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.475713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.475713 (E_RNA) where: Base-Base interactions energy: -1851.677 where: short stacking energy: -810.081 Base-Backbone interact. energy: -4.394 local terms energy: -854.404919 where: bonds (distance) C4'-P energy: -158.608 bonds (distance) P-C4' energy: -163.025 flat angles C4'-P-C4' energy: -185.602 flat angles P-C4'-P energy: -121.180 tors. eta vs tors. theta energy: -225.990 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: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2431.041872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.041872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.041872 (E_RNA) where: Base-Base interactions energy: -1597.026 where: short stacking energy: -717.186 Base-Backbone interact. energy: 2.607 local terms energy: -836.623158 where: bonds (distance) C4'-P energy: -168.290 bonds (distance) P-C4' energy: -170.485 flat angles C4'-P-C4' energy: -203.090 flat angles P-C4'-P energy: -99.088 tors. eta vs tors. theta energy: -195.670 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: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2313.738250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.738250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.738250 (E_RNA) where: Base-Base interactions energy: -1509.994 where: short stacking energy: -679.637 Base-Backbone interact. energy: 0.708 local terms energy: -804.452715 where: bonds (distance) C4'-P energy: -166.369 bonds (distance) P-C4' energy: -170.643 flat angles C4'-P-C4' energy: -183.310 flat angles P-C4'-P energy: -115.840 tors. eta vs tors. theta energy: -168.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1932.767206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.767206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.767206 (E_RNA) where: Base-Base interactions energy: -1218.066 where: short stacking energy: -548.762 Base-Backbone interact. energy: -4.452 local terms energy: -710.249486 where: bonds (distance) C4'-P energy: -166.235 bonds (distance) P-C4' energy: -156.973 flat angles C4'-P-C4' energy: -165.876 flat angles P-C4'-P energy: -104.136 tors. eta vs tors. theta energy: -117.029 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: 312 Temperature: 1.250000 Total energy: -1531.055191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.055191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.055191 (E_RNA) where: Base-Base interactions energy: -868.215 where: short stacking energy: -459.737 Base-Backbone interact. energy: 4.089 local terms energy: -666.928977 where: bonds (distance) C4'-P energy: -161.512 bonds (distance) P-C4' energy: -171.076 flat angles C4'-P-C4' energy: -161.364 flat angles P-C4'-P energy: -97.999 tors. eta vs tors. theta energy: -74.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1100.969958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.969958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.969958 (E_RNA) where: Base-Base interactions energy: -589.696 where: short stacking energy: -319.626 Base-Backbone interact. energy: 0.773 local terms energy: -512.047159 where: bonds (distance) C4'-P energy: -128.185 bonds (distance) P-C4' energy: -138.713 flat angles C4'-P-C4' energy: -145.254 flat angles P-C4'-P energy: -92.749 tors. eta vs tors. theta energy: -7.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -668.580760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.580760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.580760 (E_RNA) where: Base-Base interactions energy: -208.439 where: short stacking energy: -187.694 Base-Backbone interact. energy: -2.078 local terms energy: -458.063965 where: bonds (distance) C4'-P energy: -145.456 bonds (distance) P-C4' energy: -147.209 flat angles C4'-P-C4' energy: -120.415 flat angles P-C4'-P energy: -83.632 tors. eta vs tors. theta energy: 38.648 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: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3102.891736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.891736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.891736 (E_RNA) where: Base-Base interactions energy: -2117.393 where: short stacking energy: -961.551 Base-Backbone interact. energy: -4.457 local terms energy: -981.041792 where: bonds (distance) C4'-P energy: -179.234 bonds (distance) P-C4' energy: -177.090 flat angles C4'-P-C4' energy: -210.479 flat angles P-C4'-P energy: -140.220 tors. eta vs tors. theta energy: -274.018 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: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2961.470098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.470098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.470098 (E_RNA) where: Base-Base interactions energy: -2013.938 where: short stacking energy: -932.334 Base-Backbone interact. energy: 0.680 local terms energy: -948.211611 where: bonds (distance) C4'-P energy: -171.206 bonds (distance) P-C4' energy: -187.200 flat angles C4'-P-C4' energy: -192.360 flat angles P-C4'-P energy: -126.535 tors. eta vs tors. theta energy: -270.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2850.749058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.749058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.749058 (E_RNA) where: Base-Base interactions energy: -1880.272 where: short stacking energy: -880.000 Base-Backbone interact. energy: -3.099 local terms energy: -967.377772 where: bonds (distance) C4'-P energy: -174.113 bonds (distance) P-C4' energy: -205.862 flat angles C4'-P-C4' energy: -206.172 flat angles P-C4'-P energy: -120.326 tors. eta vs tors. theta energy: -260.906 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2645.849836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.849836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.849836 (E_RNA) where: Base-Base interactions energy: -1789.115 where: short stacking energy: -763.331 Base-Backbone interact. energy: -4.784 local terms energy: -851.950682 where: bonds (distance) C4'-P energy: -164.009 bonds (distance) P-C4' energy: -183.213 flat angles C4'-P-C4' energy: -173.529 flat angles P-C4'-P energy: -120.121 tors. eta vs tors. theta energy: -211.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2409.471241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.471241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.471241 (E_RNA) where: Base-Base interactions energy: -1608.005 where: short stacking energy: -739.768 Base-Backbone interact. energy: -2.082 local terms energy: -799.384666 where: bonds (distance) C4'-P energy: -127.866 bonds (distance) P-C4' energy: -168.398 flat angles C4'-P-C4' energy: -181.075 flat angles P-C4'-P energy: -110.741 tors. eta vs tors. theta energy: -211.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2337.473627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.473627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.473627 (E_RNA) where: Base-Base interactions energy: -1521.010 where: short stacking energy: -688.106 Base-Backbone interact. energy: -2.002 local terms energy: -814.461595 where: bonds (distance) C4'-P energy: -183.864 bonds (distance) P-C4' energy: -159.329 flat angles C4'-P-C4' energy: -182.366 flat angles P-C4'-P energy: -112.606 tors. eta vs tors. theta energy: -176.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1922.738423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.738423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.738423 (E_RNA) where: Base-Base interactions energy: -1250.975 where: short stacking energy: -553.915 Base-Backbone interact. energy: -2.217 local terms energy: -669.547238 where: bonds (distance) C4'-P energy: -136.082 bonds (distance) P-C4' energy: -162.466 flat angles C4'-P-C4' energy: -157.660 flat angles P-C4'-P energy: -96.783 tors. eta vs tors. theta energy: -116.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1496.991506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.991506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.991506 (E_RNA) where: Base-Base interactions energy: -861.092 where: short stacking energy: -401.566 Base-Backbone interact. energy: -3.510 local terms energy: -632.390307 where: bonds (distance) C4'-P energy: -152.338 bonds (distance) P-C4' energy: -164.471 flat angles C4'-P-C4' energy: -142.279 flat angles P-C4'-P energy: -88.197 tors. eta vs tors. theta energy: -85.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1089.680315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.680315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.680315 (E_RNA) where: Base-Base interactions energy: -582.431 where: short stacking energy: -310.382 Base-Backbone interact. energy: 3.935 local terms energy: -511.184078 where: bonds (distance) C4'-P energy: -156.123 bonds (distance) P-C4' energy: -126.276 flat angles C4'-P-C4' energy: -129.863 flat angles P-C4'-P energy: -99.534 tors. eta vs tors. theta energy: 0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -716.016421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.016421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.016421 (E_RNA) where: Base-Base interactions energy: -239.574 where: short stacking energy: -207.497 Base-Backbone interact. energy: 1.699 local terms energy: -478.141745 where: bonds (distance) C4'-P energy: -114.669 bonds (distance) P-C4' energy: -162.877 flat angles C4'-P-C4' energy: -149.548 flat angles P-C4'-P energy: -77.727 tors. eta vs tors. theta energy: 26.680 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: 314 Temperature: 0.900000 Total energy: -3135.389744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.389744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.389744 (E_RNA) where: Base-Base interactions energy: -2127.395 where: short stacking energy: -1007.886 Base-Backbone interact. energy: -5.629 local terms energy: -1002.365828 where: bonds (distance) C4'-P energy: -172.561 bonds (distance) P-C4' energy: -193.026 flat angles C4'-P-C4' energy: -208.703 flat angles P-C4'-P energy: -136.524 tors. eta vs tors. theta energy: -291.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2943.787178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.787178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.787178 (E_RNA) where: Base-Base interactions energy: -1995.974 where: short stacking energy: -913.012 Base-Backbone interact. energy: -0.333 local terms energy: -947.479237 where: bonds (distance) C4'-P energy: -163.039 bonds (distance) P-C4' energy: -186.498 flat angles C4'-P-C4' energy: -207.801 flat angles P-C4'-P energy: -133.683 tors. eta vs tors. theta energy: -256.458 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: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2824.663064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.663064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.663064 (E_RNA) where: Base-Base interactions energy: -1909.763 where: short stacking energy: -874.295 Base-Backbone interact. energy: -5.663 local terms energy: -909.237263 where: bonds (distance) C4'-P energy: -155.213 bonds (distance) P-C4' energy: -172.308 flat angles C4'-P-C4' energy: -199.241 flat angles P-C4'-P energy: -139.008 tors. eta vs tors. theta energy: -243.466 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: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2693.107973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.107973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.107973 (E_RNA) where: Base-Base interactions energy: -1836.168 where: short stacking energy: -798.135 Base-Backbone interact. energy: -4.498 local terms energy: -852.441407 where: bonds (distance) C4'-P energy: -148.008 bonds (distance) P-C4' energy: -168.866 flat angles C4'-P-C4' energy: -192.504 flat angles P-C4'-P energy: -122.002 tors. eta vs tors. theta energy: -221.062 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: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2461.426917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.426917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.426917 (E_RNA) where: Base-Base interactions energy: -1640.658 where: short stacking energy: -760.682 Base-Backbone interact. energy: 1.990 local terms energy: -822.758405 where: bonds (distance) C4'-P energy: -165.985 bonds (distance) P-C4' energy: -157.888 flat angles C4'-P-C4' energy: -166.563 flat angles P-C4'-P energy: -121.276 tors. eta vs tors. theta energy: -211.047 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: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2260.880718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.880718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.880718 (E_RNA) where: Base-Base interactions energy: -1484.616 where: short stacking energy: -659.838 Base-Backbone interact. energy: -0.891 local terms energy: -775.373728 where: bonds (distance) C4'-P energy: -139.276 bonds (distance) P-C4' energy: -167.775 flat angles C4'-P-C4' energy: -180.270 flat angles P-C4'-P energy: -114.694 tors. eta vs tors. theta energy: -173.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1984.797955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.797955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.797955 (E_RNA) where: Base-Base interactions energy: -1239.762 where: short stacking energy: -547.338 Base-Backbone interact. energy: -2.125 local terms energy: -742.911124 where: bonds (distance) C4'-P energy: -162.611 bonds (distance) P-C4' energy: -170.818 flat angles C4'-P-C4' energy: -166.677 flat angles P-C4'-P energy: -88.968 tors. eta vs tors. theta energy: -153.837 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: 314 Temperature: 1.250000 Total energy: -1482.163566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.163566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.163566 (E_RNA) where: Base-Base interactions energy: -877.390 where: short stacking energy: -441.541 Base-Backbone interact. energy: 6.764 local terms energy: -611.537668 where: bonds (distance) C4'-P energy: -184.019 bonds (distance) P-C4' energy: -146.860 flat angles C4'-P-C4' energy: -131.677 flat angles P-C4'-P energy: -63.173 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: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1095.920157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.920157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.920157 (E_RNA) where: Base-Base interactions energy: -536.019 where: short stacking energy: -287.228 Base-Backbone interact. energy: -0.621 local terms energy: -559.280087 where: bonds (distance) C4'-P energy: -159.914 bonds (distance) P-C4' energy: -174.528 flat angles C4'-P-C4' energy: -125.706 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -11.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -663.681739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.681739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.681739 (E_RNA) where: Base-Base interactions energy: -236.176 where: short stacking energy: -188.437 Base-Backbone interact. energy: -1.188 local terms energy: -426.318429 where: bonds (distance) C4'-P energy: -141.864 bonds (distance) P-C4' energy: -143.041 flat angles C4'-P-C4' energy: -117.009 flat angles P-C4'-P energy: -81.909 tors. eta vs tors. theta energy: 57.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3126.501795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.501795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.501795 (E_RNA) where: Base-Base interactions energy: -2123.194 where: short stacking energy: -979.308 Base-Backbone interact. energy: -4.826 local terms energy: -998.482452 where: bonds (distance) C4'-P energy: -173.829 bonds (distance) P-C4' energy: -175.742 flat angles C4'-P-C4' energy: -220.190 flat angles P-C4'-P energy: -140.180 tors. eta vs tors. theta energy: -288.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2963.231942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.231942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.231942 (E_RNA) where: Base-Base interactions energy: -2007.074 where: short stacking energy: -942.285 Base-Backbone interact. energy: -3.253 local terms energy: -952.905548 where: bonds (distance) C4'-P energy: -170.651 bonds (distance) P-C4' energy: -178.987 flat angles C4'-P-C4' energy: -207.000 flat angles P-C4'-P energy: -135.013 tors. eta vs tors. theta energy: -261.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2855.620083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.620083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.620083 (E_RNA) where: Base-Base interactions energy: -1897.017 where: short stacking energy: -898.549 Base-Backbone interact. energy: -3.147 local terms energy: -955.456136 where: bonds (distance) C4'-P energy: -155.980 bonds (distance) P-C4' energy: -187.418 flat angles C4'-P-C4' energy: -202.410 flat angles P-C4'-P energy: -138.162 tors. eta vs tors. theta energy: -271.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2699.442479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.442479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.442479 (E_RNA) where: Base-Base interactions energy: -1812.996 where: short stacking energy: -796.407 Base-Backbone interact. energy: -4.191 local terms energy: -882.255231 where: bonds (distance) C4'-P energy: -172.431 bonds (distance) P-C4' energy: -167.917 flat angles C4'-P-C4' energy: -199.216 flat angles P-C4'-P energy: -118.774 tors. eta vs tors. theta energy: -223.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2435.118432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.118432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.118432 (E_RNA) where: Base-Base interactions energy: -1616.357 where: short stacking energy: -763.961 Base-Backbone interact. energy: -1.845 local terms energy: -816.916113 where: bonds (distance) C4'-P energy: -174.555 bonds (distance) P-C4' energy: -158.152 flat angles C4'-P-C4' energy: -186.003 flat angles P-C4'-P energy: -99.180 tors. eta vs tors. theta energy: -199.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2247.541199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.541199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.541199 (E_RNA) where: Base-Base interactions energy: -1447.489 where: short stacking energy: -708.507 Base-Backbone interact. energy: 3.055 local terms energy: -803.107078 where: bonds (distance) C4'-P energy: -160.180 bonds (distance) P-C4' energy: -148.532 flat angles C4'-P-C4' energy: -197.520 flat angles P-C4'-P energy: -93.222 tors. eta vs tors. theta energy: -203.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1974.385042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.385042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.385042 (E_RNA) where: Base-Base interactions energy: -1255.726 where: short stacking energy: -563.948 Base-Backbone interact. energy: -1.084 local terms energy: -717.575488 where: bonds (distance) C4'-P energy: -155.354 bonds (distance) P-C4' energy: -145.531 flat angles C4'-P-C4' energy: -172.655 flat angles P-C4'-P energy: -106.219 tors. eta vs tors. theta energy: -137.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1533.491576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.491576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.491576 (E_RNA) where: Base-Base interactions energy: -898.000 where: short stacking energy: -438.686 Base-Backbone interact. energy: -0.809 local terms energy: -634.682422 where: bonds (distance) C4'-P energy: -149.272 bonds (distance) P-C4' energy: -155.823 flat angles C4'-P-C4' energy: -163.804 flat angles P-C4'-P energy: -108.435 tors. eta vs tors. theta energy: -57.348 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: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1167.335472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.335472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.335472 (E_RNA) where: Base-Base interactions energy: -622.555 where: short stacking energy: -322.716 Base-Backbone interact. energy: 0.586 local terms energy: -545.367315 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -170.157 flat angles C4'-P-C4' energy: -132.763 flat angles P-C4'-P energy: -81.046 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: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -704.978520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.978520 (E_RNA) where: Base-Base interactions energy: -256.283 where: short stacking energy: -204.742 Base-Backbone interact. energy: -0.610 local terms energy: -448.086435 where: bonds (distance) C4'-P energy: -142.569 bonds (distance) P-C4' energy: -135.809 flat angles C4'-P-C4' energy: -125.783 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: 13.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3107.434250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.434250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.434250 (E_RNA) where: Base-Base interactions energy: -2111.008 where: short stacking energy: -968.441 Base-Backbone interact. energy: -6.340 local terms energy: -990.086277 where: bonds (distance) C4'-P energy: -171.682 bonds (distance) P-C4' energy: -169.995 flat angles C4'-P-C4' energy: -216.495 flat angles P-C4'-P energy: -157.104 tors. eta vs tors. theta energy: -274.810 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: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2986.406949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.406949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.406949 (E_RNA) where: Base-Base interactions energy: -2015.275 where: short stacking energy: -917.859 Base-Backbone interact. energy: 0.488 local terms energy: -971.620062 where: bonds (distance) C4'-P energy: -186.018 bonds (distance) P-C4' energy: -176.945 flat angles C4'-P-C4' energy: -205.164 flat angles P-C4'-P energy: -133.408 tors. eta vs tors. theta energy: -270.085 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: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2844.056881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.056881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.056881 (E_RNA) where: Base-Base interactions energy: -1925.194 where: short stacking energy: -853.502 Base-Backbone interact. energy: -1.738 local terms energy: -917.124909 where: bonds (distance) C4'-P energy: -167.108 bonds (distance) P-C4' energy: -183.845 flat angles C4'-P-C4' energy: -201.431 flat angles P-C4'-P energy: -112.841 tors. eta vs tors. theta energy: -251.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2716.520881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.520881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.520881 (E_RNA) where: Base-Base interactions energy: -1832.136 where: short stacking energy: -807.701 Base-Backbone interact. energy: -2.673 local terms energy: -881.711874 where: bonds (distance) C4'-P energy: -176.258 bonds (distance) P-C4' energy: -168.673 flat angles C4'-P-C4' energy: -198.344 flat angles P-C4'-P energy: -118.725 tors. eta vs tors. theta energy: -219.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2444.348200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.348200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.348200 (E_RNA) where: Base-Base interactions energy: -1616.615 where: short stacking energy: -741.900 Base-Backbone interact. energy: 1.711 local terms energy: -829.443470 where: bonds (distance) C4'-P energy: -158.361 bonds (distance) P-C4' energy: -163.969 flat angles C4'-P-C4' energy: -182.736 flat angles P-C4'-P energy: -106.980 tors. eta vs tors. theta energy: -217.397 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: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2280.116799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.116799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.116799 (E_RNA) where: Base-Base interactions energy: -1476.653 where: short stacking energy: -672.719 Base-Backbone interact. energy: -4.665 local terms energy: -798.797840 where: bonds (distance) C4'-P energy: -175.706 bonds (distance) P-C4' energy: -168.396 flat angles C4'-P-C4' energy: -161.973 flat angles P-C4'-P energy: -112.527 tors. eta vs tors. theta energy: -180.196 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: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2077.815789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.815789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.815789 (E_RNA) where: Base-Base interactions energy: -1399.862 where: short stacking energy: -638.296 Base-Backbone interact. energy: 2.872 local terms energy: -680.825789 where: bonds (distance) C4'-P energy: -122.878 bonds (distance) P-C4' energy: -129.038 flat angles C4'-P-C4' energy: -170.702 flat angles P-C4'-P energy: -102.331 tors. eta vs tors. theta energy: -155.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1556.552589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.552589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.552589 (E_RNA) where: Base-Base interactions energy: -911.966 where: short stacking energy: -439.037 Base-Backbone interact. energy: -0.692 local terms energy: -643.894401 where: bonds (distance) C4'-P energy: -163.777 bonds (distance) P-C4' energy: -143.819 flat angles C4'-P-C4' energy: -146.071 flat angles P-C4'-P energy: -124.053 tors. eta vs tors. theta energy: -66.175 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: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1109.979691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.979691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.979691 (E_RNA) where: Base-Base interactions energy: -597.047 where: short stacking energy: -321.953 Base-Backbone interact. energy: -2.671 local terms energy: -510.261667 where: bonds (distance) C4'-P energy: -145.252 bonds (distance) P-C4' energy: -161.791 flat angles C4'-P-C4' energy: -122.607 flat angles P-C4'-P energy: -62.041 tors. eta vs tors. theta energy: -18.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -683.836714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.836714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.836714 (E_RNA) where: Base-Base interactions energy: -265.562 where: short stacking energy: -211.826 Base-Backbone interact. energy: 5.481 local terms energy: -423.756186 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -147.517 flat angles C4'-P-C4' energy: -91.805 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: 27.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3101.436588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.436588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.436588 (E_RNA) where: Base-Base interactions energy: -2118.437 where: short stacking energy: -948.883 Base-Backbone interact. energy: -1.870 local terms energy: -981.129560 where: bonds (distance) C4'-P energy: -188.645 bonds (distance) P-C4' energy: -167.742 flat angles C4'-P-C4' energy: -198.142 flat angles P-C4'-P energy: -151.401 tors. eta vs tors. theta energy: -275.199 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: 317 Temperature: 0.950000 Total energy: -2927.433363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.433363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.433363 (E_RNA) where: Base-Base interactions energy: -1944.439 where: short stacking energy: -911.860 Base-Backbone interact. energy: -5.282 local terms energy: -977.713205 where: bonds (distance) C4'-P energy: -185.258 bonds (distance) P-C4' energy: -193.455 flat angles C4'-P-C4' energy: -191.126 flat angles P-C4'-P energy: -138.163 tors. eta vs tors. theta energy: -269.710 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: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2824.819813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.819813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.819813 (E_RNA) where: Base-Base interactions energy: -1902.956 where: short stacking energy: -857.295 Base-Backbone interact. energy: -6.319 local terms energy: -915.544477 where: bonds (distance) C4'-P energy: -169.915 bonds (distance) P-C4' energy: -170.318 flat angles C4'-P-C4' energy: -193.306 flat angles P-C4'-P energy: -136.968 tors. eta vs tors. theta energy: -245.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2693.000299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.000299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.000299 (E_RNA) where: Base-Base interactions energy: -1814.277 where: short stacking energy: -780.433 Base-Backbone interact. energy: -1.372 local terms energy: -877.350623 where: bonds (distance) C4'-P energy: -156.048 bonds (distance) P-C4' energy: -177.303 flat angles C4'-P-C4' energy: -186.548 flat angles P-C4'-P energy: -134.061 tors. eta vs tors. theta energy: -223.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2399.262354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.262354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.262354 (E_RNA) where: Base-Base interactions energy: -1523.446 where: short stacking energy: -689.197 Base-Backbone interact. energy: -1.231 local terms energy: -874.585199 where: bonds (distance) C4'-P energy: -184.710 bonds (distance) P-C4' energy: -172.585 flat angles C4'-P-C4' energy: -190.606 flat angles P-C4'-P energy: -133.536 tors. eta vs tors. theta energy: -193.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2282.032335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.032335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.032335 (E_RNA) where: Base-Base interactions energy: -1492.639 where: short stacking energy: -707.189 Base-Backbone interact. energy: -2.504 local terms energy: -786.889486 where: bonds (distance) C4'-P energy: -156.785 bonds (distance) P-C4' energy: -159.541 flat angles C4'-P-C4' energy: -184.465 flat angles P-C4'-P energy: -98.614 tors. eta vs tors. theta energy: -187.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1972.912540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.912540 (E_RNA) where: Base-Base interactions energy: -1254.898 where: short stacking energy: -568.404 Base-Backbone interact. energy: -3.234 local terms energy: -714.780545 where: bonds (distance) C4'-P energy: -156.191 bonds (distance) P-C4' energy: -143.663 flat angles C4'-P-C4' energy: -166.791 flat angles P-C4'-P energy: -95.806 tors. eta vs tors. theta energy: -152.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1585.102448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.102448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.102448 (E_RNA) where: Base-Base interactions energy: -933.032 where: short stacking energy: -492.186 Base-Backbone interact. energy: -1.260 local terms energy: -650.810153 where: bonds (distance) C4'-P energy: -172.458 bonds (distance) P-C4' energy: -143.659 flat angles C4'-P-C4' energy: -151.650 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -84.658 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: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1128.834100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.834100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.834100 (E_RNA) where: Base-Base interactions energy: -589.974 where: short stacking energy: -345.075 Base-Backbone interact. energy: 6.919 local terms energy: -545.779337 where: bonds (distance) C4'-P energy: -155.238 bonds (distance) P-C4' energy: -146.598 flat angles C4'-P-C4' energy: -130.820 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -36.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -705.735078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.735078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.735078 (E_RNA) where: Base-Base interactions energy: -271.556 where: short stacking energy: -214.865 Base-Backbone interact. energy: -3.425 local terms energy: -430.753968 where: bonds (distance) C4'-P energy: -124.064 bonds (distance) P-C4' energy: -147.123 flat angles C4'-P-C4' energy: -122.551 flat angles P-C4'-P energy: -61.553 tors. eta vs tors. theta energy: 24.538 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: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3137.225543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.225543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.225543 (E_RNA) where: Base-Base interactions energy: -2125.973 where: short stacking energy: -971.036 Base-Backbone interact. energy: -4.156 local terms energy: -1007.096259 where: bonds (distance) C4'-P energy: -172.763 bonds (distance) P-C4' energy: -185.207 flat angles C4'-P-C4' energy: -210.892 flat angles P-C4'-P energy: -156.668 tors. eta vs tors. theta energy: -281.566 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: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2971.995487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.995487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.995487 (E_RNA) where: Base-Base interactions energy: -1996.325 where: short stacking energy: -932.854 Base-Backbone interact. energy: -2.281 local terms energy: -973.389414 where: bonds (distance) C4'-P energy: -183.704 bonds (distance) P-C4' energy: -176.615 flat angles C4'-P-C4' energy: -209.471 flat angles P-C4'-P energy: -133.706 tors. eta vs tors. theta energy: -269.894 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: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2914.113985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.113985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.113985 (E_RNA) where: Base-Base interactions energy: -1980.003 where: short stacking energy: -891.913 Base-Backbone interact. energy: -4.236 local terms energy: -929.874603 where: bonds (distance) C4'-P energy: -170.918 bonds (distance) P-C4' energy: -179.662 flat angles C4'-P-C4' energy: -199.401 flat angles P-C4'-P energy: -118.619 tors. eta vs tors. theta energy: -261.275 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: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2713.364681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.364681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.364681 (E_RNA) where: Base-Base interactions energy: -1841.221 where: short stacking energy: -826.214 Base-Backbone interact. energy: -0.204 local terms energy: -871.940385 where: bonds (distance) C4'-P energy: -152.394 bonds (distance) P-C4' energy: -167.100 flat angles C4'-P-C4' energy: -184.523 flat angles P-C4'-P energy: -126.842 tors. eta vs tors. theta energy: -241.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2408.718994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.718994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.718994 (E_RNA) where: Base-Base interactions energy: -1587.860 where: short stacking energy: -715.556 Base-Backbone interact. energy: -0.316 local terms energy: -820.543089 where: bonds (distance) C4'-P energy: -161.411 bonds (distance) P-C4' energy: -177.382 flat angles C4'-P-C4' energy: -170.780 flat angles P-C4'-P energy: -122.535 tors. eta vs tors. theta energy: -188.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2311.621982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.621982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.621982 (E_RNA) where: Base-Base interactions energy: -1531.162 where: short stacking energy: -682.817 Base-Backbone interact. energy: -0.564 local terms energy: -779.895437 where: bonds (distance) C4'-P energy: -147.649 bonds (distance) P-C4' energy: -152.587 flat angles C4'-P-C4' energy: -174.250 flat angles P-C4'-P energy: -116.666 tors. eta vs tors. theta energy: -188.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1987.910496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.910496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.910496 (E_RNA) where: Base-Base interactions energy: -1239.256 where: short stacking energy: -601.017 Base-Backbone interact. energy: -3.431 local terms energy: -745.223399 where: bonds (distance) C4'-P energy: -159.913 bonds (distance) P-C4' energy: -155.980 flat angles C4'-P-C4' energy: -171.094 flat angles P-C4'-P energy: -95.800 tors. eta vs tors. theta energy: -162.437 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: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1550.271235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.271235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.271235 (E_RNA) where: Base-Base interactions energy: -924.684 where: short stacking energy: -475.119 Base-Backbone interact. energy: -0.569 local terms energy: -625.018658 where: bonds (distance) C4'-P energy: -152.784 bonds (distance) P-C4' energy: -138.475 flat angles C4'-P-C4' energy: -154.961 flat angles P-C4'-P energy: -79.188 tors. eta vs tors. theta energy: -99.610 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: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1150.342611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.342611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.342611 (E_RNA) where: Base-Base interactions energy: -612.342 where: short stacking energy: -324.282 Base-Backbone interact. energy: 5.587 local terms energy: -543.587799 where: bonds (distance) C4'-P energy: -126.384 bonds (distance) P-C4' energy: -152.093 flat angles C4'-P-C4' energy: -144.736 flat angles P-C4'-P energy: -87.394 tors. eta vs tors. theta energy: -32.981 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: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -709.399296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.399296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.399296 (E_RNA) where: Base-Base interactions energy: -249.946 where: short stacking energy: -228.219 Base-Backbone interact. energy: 10.337 local terms energy: -469.790910 where: bonds (distance) C4'-P energy: -149.958 bonds (distance) P-C4' energy: -158.368 flat angles C4'-P-C4' energy: -124.461 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: 30.753 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: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3109.758976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.758976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.758976 (E_RNA) where: Base-Base interactions energy: -2085.951 where: short stacking energy: -942.202 Base-Backbone interact. energy: -1.971 local terms energy: -1021.836930 where: bonds (distance) C4'-P energy: -186.693 bonds (distance) P-C4' energy: -194.792 flat angles C4'-P-C4' energy: -210.300 flat angles P-C4'-P energy: -147.140 tors. eta vs tors. theta energy: -282.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2973.581757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.581757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.581757 (E_RNA) where: Base-Base interactions energy: -2011.391 where: short stacking energy: -905.564 Base-Backbone interact. energy: -2.025 local terms energy: -960.165011 where: bonds (distance) C4'-P energy: -176.376 bonds (distance) P-C4' energy: -182.540 flat angles C4'-P-C4' energy: -209.341 flat angles P-C4'-P energy: -122.449 tors. eta vs tors. theta energy: -269.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2853.285790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.285790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.285790 (E_RNA) where: Base-Base interactions energy: -1945.942 where: short stacking energy: -901.784 Base-Backbone interact. energy: 0.363 local terms energy: -907.707412 where: bonds (distance) C4'-P energy: -168.384 bonds (distance) P-C4' energy: -150.741 flat angles C4'-P-C4' energy: -186.224 flat angles P-C4'-P energy: -135.051 tors. eta vs tors. theta energy: -267.307 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: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2722.754644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.754644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.754644 (E_RNA) where: Base-Base interactions energy: -1832.904 where: short stacking energy: -818.310 Base-Backbone interact. energy: -1.932 local terms energy: -887.918654 where: bonds (distance) C4'-P energy: -159.847 bonds (distance) P-C4' energy: -172.808 flat angles C4'-P-C4' energy: -187.885 flat angles P-C4'-P energy: -128.016 tors. eta vs tors. theta energy: -239.364 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: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2417.876281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.876281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.876281 (E_RNA) where: Base-Base interactions energy: -1595.484 where: short stacking energy: -724.094 Base-Backbone interact. energy: -3.793 local terms energy: -818.599024 where: bonds (distance) C4'-P energy: -170.372 bonds (distance) P-C4' energy: -156.792 flat angles C4'-P-C4' energy: -182.994 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -198.920 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: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2283.260843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.260843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.260843 (E_RNA) where: Base-Base interactions energy: -1462.264 where: short stacking energy: -685.559 Base-Backbone interact. energy: -3.236 local terms energy: -817.761423 where: bonds (distance) C4'-P energy: -174.909 bonds (distance) P-C4' energy: -184.117 flat angles C4'-P-C4' energy: -178.805 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -185.611 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: 319 Temperature: 1.200000 Total energy: -2038.683552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.683552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.683552 (E_RNA) where: Base-Base interactions energy: -1325.319 where: short stacking energy: -643.361 Base-Backbone interact. energy: 6.695 local terms energy: -720.060256 where: bonds (distance) C4'-P energy: -142.466 bonds (distance) P-C4' energy: -154.202 flat angles C4'-P-C4' energy: -161.064 flat angles P-C4'-P energy: -98.632 tors. eta vs tors. theta energy: -163.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1481.560577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.560577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.560577 (E_RNA) where: Base-Base interactions energy: -883.340 where: short stacking energy: -448.629 Base-Backbone interact. energy: 7.754 local terms energy: -605.974382 where: bonds (distance) C4'-P energy: -155.882 bonds (distance) P-C4' energy: -151.862 flat angles C4'-P-C4' energy: -146.534 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -73.085 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1138.513320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.513320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.513320 (E_RNA) where: Base-Base interactions energy: -614.894 where: short stacking energy: -343.454 Base-Backbone interact. energy: 1.624 local terms energy: -525.243476 where: bonds (distance) C4'-P energy: -136.238 bonds (distance) P-C4' energy: -150.462 flat angles C4'-P-C4' energy: -144.720 flat angles P-C4'-P energy: -70.022 tors. eta vs tors. theta energy: -23.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -659.237034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.237034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.237034 (E_RNA) where: Base-Base interactions energy: -218.872 where: short stacking energy: -190.412 Base-Backbone interact. energy: 3.294 local terms energy: -443.659120 where: bonds (distance) C4'-P energy: -153.282 bonds (distance) P-C4' energy: -168.324 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: 55.134 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: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3120.554091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.554091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.554091 (E_RNA) where: Base-Base interactions energy: -2134.735 where: short stacking energy: -975.656 Base-Backbone interact. energy: -0.838 local terms energy: -984.981806 where: bonds (distance) C4'-P energy: -164.225 bonds (distance) P-C4' energy: -188.143 flat angles C4'-P-C4' energy: -211.026 flat angles P-C4'-P energy: -137.379 tors. eta vs tors. theta energy: -284.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2960.114018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.114018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.114018 (E_RNA) where: Base-Base interactions energy: -2021.231 where: short stacking energy: -912.733 Base-Backbone interact. energy: 0.583 local terms energy: -939.466266 where: bonds (distance) C4'-P energy: -168.020 bonds (distance) P-C4' energy: -181.939 flat angles C4'-P-C4' energy: -202.336 flat angles P-C4'-P energy: -139.036 tors. eta vs tors. theta energy: -248.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2851.369229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.369229 (E_RNA) where: Base-Base interactions energy: -1919.348 where: short stacking energy: -884.077 Base-Backbone interact. energy: -4.075 local terms energy: -927.946790 where: bonds (distance) C4'-P energy: -171.893 bonds (distance) P-C4' energy: -182.916 flat angles C4'-P-C4' energy: -197.100 flat angles P-C4'-P energy: -124.096 tors. eta vs tors. theta energy: -251.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2705.939827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.939827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.939827 (E_RNA) where: Base-Base interactions energy: -1859.146 where: short stacking energy: -825.746 Base-Backbone interact. energy: -5.088 local terms energy: -841.705562 where: bonds (distance) C4'-P energy: -144.180 bonds (distance) P-C4' energy: -157.461 flat angles C4'-P-C4' energy: -183.122 flat angles P-C4'-P energy: -132.089 tors. eta vs tors. theta energy: -224.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2439.400915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.400915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.400915 (E_RNA) where: Base-Base interactions energy: -1630.098 where: short stacking energy: -746.130 Base-Backbone interact. energy: -0.423 local terms energy: -808.879830 where: bonds (distance) C4'-P energy: -144.956 bonds (distance) P-C4' energy: -155.207 flat angles C4'-P-C4' energy: -179.794 flat angles P-C4'-P energy: -115.834 tors. eta vs tors. theta energy: -213.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2241.806102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.806102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.806102 (E_RNA) where: Base-Base interactions energy: -1480.838 where: short stacking energy: -646.853 Base-Backbone interact. energy: -2.496 local terms energy: -758.472613 where: bonds (distance) C4'-P energy: -152.183 bonds (distance) P-C4' energy: -149.679 flat angles C4'-P-C4' energy: -163.172 flat angles P-C4'-P energy: -127.801 tors. eta vs tors. theta energy: -165.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1898.372522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.372522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.372522 (E_RNA) where: Base-Base interactions energy: -1212.110 where: short stacking energy: -547.124 Base-Backbone interact. energy: 0.985 local terms energy: -687.248317 where: bonds (distance) C4'-P energy: -151.901 bonds (distance) P-C4' energy: -152.238 flat angles C4'-P-C4' energy: -165.480 flat angles P-C4'-P energy: -101.440 tors. eta vs tors. theta energy: -116.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1489.918466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.918466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.918466 (E_RNA) where: Base-Base interactions energy: -865.868 where: short stacking energy: -453.539 Base-Backbone interact. energy: 2.708 local terms energy: -626.758382 where: bonds (distance) C4'-P energy: -154.824 bonds (distance) P-C4' energy: -162.053 flat angles C4'-P-C4' energy: -151.572 flat angles P-C4'-P energy: -72.629 tors. eta vs tors. theta energy: -85.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1168.839736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.839736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.839736 (E_RNA) where: Base-Base interactions energy: -622.735 where: short stacking energy: -359.667 Base-Backbone interact. energy: -0.650 local terms energy: -545.454985 where: bonds (distance) C4'-P energy: -127.532 bonds (distance) P-C4' energy: -162.471 flat angles C4'-P-C4' energy: -145.339 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -31.012 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: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -675.638520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.638520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.638520 (E_RNA) where: Base-Base interactions energy: -215.351 where: short stacking energy: -195.821 Base-Backbone interact. energy: 8.081 local terms energy: -468.368007 where: bonds (distance) C4'-P energy: -158.371 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -105.342 flat angles P-C4'-P energy: -82.723 tors. eta vs tors. theta energy: 12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3131.147384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.147384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.147384 (E_RNA) where: Base-Base interactions energy: -2120.373 where: short stacking energy: -967.261 Base-Backbone interact. energy: -1.350 local terms energy: -1009.425049 where: bonds (distance) C4'-P energy: -197.840 bonds (distance) P-C4' energy: -180.197 flat angles C4'-P-C4' energy: -210.979 flat angles P-C4'-P energy: -136.966 tors. eta vs tors. theta energy: -283.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2977.356019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.356019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.356019 (E_RNA) where: Base-Base interactions energy: -2001.477 where: short stacking energy: -898.765 Base-Backbone interact. energy: -6.185 local terms energy: -969.693968 where: bonds (distance) C4'-P energy: -168.678 bonds (distance) P-C4' energy: -179.856 flat angles C4'-P-C4' energy: -211.320 flat angles P-C4'-P energy: -141.651 tors. eta vs tors. theta energy: -268.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2863.232479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.232479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.232479 (E_RNA) where: Base-Base interactions energy: -1926.305 where: short stacking energy: -866.091 Base-Backbone interact. energy: 0.366 local terms energy: -937.293886 where: bonds (distance) C4'-P energy: -155.017 bonds (distance) P-C4' energy: -184.943 flat angles C4'-P-C4' energy: -203.370 flat angles P-C4'-P energy: -136.930 tors. eta vs tors. theta energy: -257.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2715.887032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.887032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.887032 (E_RNA) where: Base-Base interactions energy: -1859.578 where: short stacking energy: -837.087 Base-Backbone interact. energy: 1.762 local terms energy: -858.071398 where: bonds (distance) C4'-P energy: -155.143 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -195.769 flat angles P-C4'-P energy: -128.537 tors. eta vs tors. theta energy: -226.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2390.515342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.515342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.515342 (E_RNA) where: Base-Base interactions energy: -1595.402 where: short stacking energy: -705.396 Base-Backbone interact. energy: -4.435 local terms energy: -790.678203 where: bonds (distance) C4'-P energy: -160.119 bonds (distance) P-C4' energy: -151.343 flat angles C4'-P-C4' energy: -186.537 flat angles P-C4'-P energy: -101.114 tors. eta vs tors. theta energy: -191.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2229.397200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.397200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.397200 (E_RNA) where: Base-Base interactions energy: -1447.296 where: short stacking energy: -680.379 Base-Backbone interact. energy: -3.052 local terms energy: -779.049047 where: bonds (distance) C4'-P energy: -155.439 bonds (distance) P-C4' energy: -169.881 flat angles C4'-P-C4' energy: -175.850 flat angles P-C4'-P energy: -105.611 tors. eta vs tors. theta energy: -172.269 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1856.827046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.827046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.827046 (E_RNA) where: Base-Base interactions energy: -1193.133 where: short stacking energy: -538.014 Base-Backbone interact. energy: 0.359 local terms energy: -664.052416 where: bonds (distance) C4'-P energy: -157.950 bonds (distance) P-C4' energy: -150.500 flat angles C4'-P-C4' energy: -153.881 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -96.982 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: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1421.290951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.290951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.290951 (E_RNA) where: Base-Base interactions energy: -818.841 where: short stacking energy: -454.036 Base-Backbone interact. energy: 4.956 local terms energy: -607.405603 where: bonds (distance) C4'-P energy: -149.008 bonds (distance) P-C4' energy: -152.932 flat angles C4'-P-C4' energy: -151.033 flat angles P-C4'-P energy: -76.280 tors. eta vs tors. theta energy: -78.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1135.227642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.227642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.227642 (E_RNA) where: Base-Base interactions energy: -622.029 where: short stacking energy: -334.902 Base-Backbone interact. energy: 1.354 local terms energy: -514.552574 where: bonds (distance) C4'-P energy: -137.274 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -121.085 flat angles P-C4'-P energy: -87.219 tors. eta vs tors. theta energy: -13.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -692.027594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.027594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.027594 (E_RNA) where: Base-Base interactions energy: -248.013 where: short stacking energy: -222.055 Base-Backbone interact. energy: 6.723 local terms energy: -450.737382 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -141.426 flat angles C4'-P-C4' energy: -129.795 flat angles P-C4'-P energy: -79.578 tors. eta vs tors. theta energy: 21.328 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: 322 Temperature: 0.900000 Total energy: -3158.300231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.300231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.300231 (E_RNA) where: Base-Base interactions energy: -2146.132 where: short stacking energy: -977.270 Base-Backbone interact. energy: -2.725 local terms energy: -1009.442901 where: bonds (distance) C4'-P energy: -182.530 bonds (distance) P-C4' energy: -173.462 flat angles C4'-P-C4' energy: -215.781 flat angles P-C4'-P energy: -146.388 tors. eta vs tors. theta energy: -291.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2976.889254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.889254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.889254 (E_RNA) where: Base-Base interactions energy: -1988.196 where: short stacking energy: -898.964 Base-Backbone interact. energy: -6.041 local terms energy: -982.652136 where: bonds (distance) C4'-P energy: -185.004 bonds (distance) P-C4' energy: -189.704 flat angles C4'-P-C4' energy: -216.289 flat angles P-C4'-P energy: -131.728 tors. eta vs tors. theta energy: -259.927 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: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2868.345490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.345490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.345490 (E_RNA) where: Base-Base interactions energy: -1937.598 where: short stacking energy: -858.533 Base-Backbone interact. energy: 0.138 local terms energy: -930.885570 where: bonds (distance) C4'-P energy: -166.955 bonds (distance) P-C4' energy: -175.069 flat angles C4'-P-C4' energy: -208.457 flat angles P-C4'-P energy: -137.492 tors. eta vs tors. theta energy: -242.912 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: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2716.657428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.657428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.657428 (E_RNA) where: Base-Base interactions energy: -1851.593 where: short stacking energy: -810.141 Base-Backbone interact. energy: -5.566 local terms energy: -859.497864 where: bonds (distance) C4'-P energy: -168.892 bonds (distance) P-C4' energy: -162.785 flat angles C4'-P-C4' energy: -193.792 flat angles P-C4'-P energy: -111.517 tors. eta vs tors. theta energy: -222.511 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: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2508.028060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.028060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.028060 (E_RNA) where: Base-Base interactions energy: -1659.872 where: short stacking energy: -760.280 Base-Backbone interact. energy: -1.241 local terms energy: -846.915145 where: bonds (distance) C4'-P energy: -172.992 bonds (distance) P-C4' energy: -174.038 flat angles C4'-P-C4' energy: -161.747 flat angles P-C4'-P energy: -113.794 tors. eta vs tors. theta energy: -224.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2215.626499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.626499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.626499 (E_RNA) where: Base-Base interactions energy: -1465.243 where: short stacking energy: -676.238 Base-Backbone interact. energy: -4.086 local terms energy: -746.297043 where: bonds (distance) C4'-P energy: -143.185 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -184.595 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -168.630 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: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1887.481910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.481910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.481910 (E_RNA) where: Base-Base interactions energy: -1182.222 where: short stacking energy: -554.305 Base-Backbone interact. energy: 1.663 local terms energy: -706.922886 where: bonds (distance) C4'-P energy: -161.093 bonds (distance) P-C4' energy: -170.309 flat angles C4'-P-C4' energy: -165.249 flat angles P-C4'-P energy: -101.163 tors. eta vs tors. theta energy: -109.108 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: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1490.135900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.135900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.135900 (E_RNA) where: Base-Base interactions energy: -879.406 where: short stacking energy: -458.910 Base-Backbone interact. energy: -1.694 local terms energy: -609.035900 where: bonds (distance) C4'-P energy: -134.025 bonds (distance) P-C4' energy: -128.142 flat angles C4'-P-C4' energy: -164.756 flat angles P-C4'-P energy: -97.845 tors. eta vs tors. theta energy: -84.268 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: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1122.299901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.299901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.299901 (E_RNA) where: Base-Base interactions energy: -574.405 where: short stacking energy: -299.722 Base-Backbone interact. energy: 2.208 local terms energy: -550.102922 where: bonds (distance) C4'-P energy: -154.470 bonds (distance) P-C4' energy: -159.729 flat angles C4'-P-C4' energy: -151.501 flat angles P-C4'-P energy: -79.321 tors. eta vs tors. theta energy: -5.082 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: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -677.375815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.375815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.375815 (E_RNA) where: Base-Base interactions energy: -228.804 where: short stacking energy: -196.775 Base-Backbone interact. energy: 2.896 local terms energy: -451.468196 where: bonds (distance) C4'-P energy: -135.162 bonds (distance) P-C4' energy: -167.531 flat angles C4'-P-C4' energy: -95.754 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: 33.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3122.822067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.822067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.822067 (E_RNA) where: Base-Base interactions energy: -2145.915 where: short stacking energy: -956.926 Base-Backbone interact. energy: 2.241 local terms energy: -979.148212 where: bonds (distance) C4'-P energy: -164.837 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -202.647 flat angles P-C4'-P energy: -159.416 tors. eta vs tors. theta energy: -282.997 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: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2946.669654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.669654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.669654 (E_RNA) where: Base-Base interactions energy: -1984.026 where: short stacking energy: -899.817 Base-Backbone interact. energy: -5.455 local terms energy: -957.188462 where: bonds (distance) C4'-P energy: -175.290 bonds (distance) P-C4' energy: -186.452 flat angles C4'-P-C4' energy: -206.922 flat angles P-C4'-P energy: -137.172 tors. eta vs tors. theta energy: -251.353 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: 323 Temperature: 1.000000 Total energy: -2852.585540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.585540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.585540 (E_RNA) where: Base-Base interactions energy: -1915.746 where: short stacking energy: -891.130 Base-Backbone interact. energy: -1.612 local terms energy: -935.227265 where: bonds (distance) C4'-P energy: -162.984 bonds (distance) P-C4' energy: -186.899 flat angles C4'-P-C4' energy: -199.527 flat angles P-C4'-P energy: -127.466 tors. eta vs tors. theta energy: -258.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2720.446994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.446994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.446994 (E_RNA) where: Base-Base interactions energy: -1881.984 where: short stacking energy: -804.550 Base-Backbone interact. energy: -3.915 local terms energy: -834.548811 where: bonds (distance) C4'-P energy: -171.456 bonds (distance) P-C4' energy: -160.029 flat angles C4'-P-C4' energy: -188.311 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -211.456 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: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2540.449667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.449667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.449667 (E_RNA) where: Base-Base interactions energy: -1715.327 where: short stacking energy: -787.935 Base-Backbone interact. energy: -4.231 local terms energy: -820.892224 where: bonds (distance) C4'-P energy: -146.296 bonds (distance) P-C4' energy: -161.964 flat angles C4'-P-C4' energy: -183.952 flat angles P-C4'-P energy: -119.391 tors. eta vs tors. theta energy: -209.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2201.465619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.465619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.465619 (E_RNA) where: Base-Base interactions energy: -1471.797 where: short stacking energy: -642.843 Base-Backbone interact. energy: -0.454 local terms energy: -729.214895 where: bonds (distance) C4'-P energy: -144.937 bonds (distance) P-C4' energy: -161.146 flat angles C4'-P-C4' energy: -153.531 flat angles P-C4'-P energy: -104.508 tors. eta vs tors. theta energy: -165.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1937.553858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.553858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.553858 (E_RNA) where: Base-Base interactions energy: -1242.785 where: short stacking energy: -568.620 Base-Backbone interact. energy: 2.522 local terms energy: -697.291384 where: bonds (distance) C4'-P energy: -140.402 bonds (distance) P-C4' energy: -178.526 flat angles C4'-P-C4' energy: -141.396 flat angles P-C4'-P energy: -102.354 tors. eta vs tors. theta energy: -134.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1479.819902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.819902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.819902 (E_RNA) where: Base-Base interactions energy: -842.539 where: short stacking energy: -428.720 Base-Backbone interact. energy: -0.902 local terms energy: -636.378449 where: bonds (distance) C4'-P energy: -155.910 bonds (distance) P-C4' energy: -169.976 flat angles C4'-P-C4' energy: -153.721 flat angles P-C4'-P energy: -80.453 tors. eta vs tors. theta energy: -76.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1101.354305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.354305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.354305 (E_RNA) where: Base-Base interactions energy: -562.109 where: short stacking energy: -304.922 Base-Backbone interact. energy: -1.474 local terms energy: -537.771145 where: bonds (distance) C4'-P energy: -139.980 bonds (distance) P-C4' energy: -150.858 flat angles C4'-P-C4' energy: -125.071 flat angles P-C4'-P energy: -97.363 tors. eta vs tors. theta energy: -24.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -703.205211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.205211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.205211 (E_RNA) where: Base-Base interactions energy: -237.246 where: short stacking energy: -202.913 Base-Backbone interact. energy: -2.406 local terms energy: -463.552735 where: bonds (distance) C4'-P energy: -147.410 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -112.862 flat angles P-C4'-P energy: -86.407 tors. eta vs tors. theta energy: 38.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3100.912680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.912680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.912680 (E_RNA) where: Base-Base interactions energy: -2089.019 where: short stacking energy: -928.691 Base-Backbone interact. energy: -2.874 local terms energy: -1009.020053 where: bonds (distance) C4'-P energy: -187.944 bonds (distance) P-C4' energy: -181.260 flat angles C4'-P-C4' energy: -210.391 flat angles P-C4'-P energy: -143.779 tors. eta vs tors. theta energy: -285.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2918.224500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.224500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.224500 (E_RNA) where: Base-Base interactions energy: -1964.303 where: short stacking energy: -867.977 Base-Backbone interact. energy: -2.342 local terms energy: -951.579661 where: bonds (distance) C4'-P energy: -176.251 bonds (distance) P-C4' energy: -155.736 flat angles C4'-P-C4' energy: -213.497 flat angles P-C4'-P energy: -141.264 tors. eta vs tors. theta energy: -264.832 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: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2875.858661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.858661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.858661 (E_RNA) where: Base-Base interactions energy: -1925.868 where: short stacking energy: -877.016 Base-Backbone interact. energy: -2.373 local terms energy: -947.618007 where: bonds (distance) C4'-P energy: -178.559 bonds (distance) P-C4' energy: -184.606 flat angles C4'-P-C4' energy: -191.118 flat angles P-C4'-P energy: -129.582 tors. eta vs tors. theta energy: -263.754 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: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2703.310088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.310088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.310088 (E_RNA) where: Base-Base interactions energy: -1859.981 where: short stacking energy: -779.330 Base-Backbone interact. energy: -1.787 local terms energy: -841.541831 where: bonds (distance) C4'-P energy: -158.002 bonds (distance) P-C4' energy: -173.562 flat angles C4'-P-C4' energy: -185.348 flat angles P-C4'-P energy: -122.006 tors. eta vs tors. theta energy: -202.623 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: 5, replica: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2546.839177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.839177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.839177 (E_RNA) where: Base-Base interactions energy: -1685.501 where: short stacking energy: -795.330 Base-Backbone interact. energy: -0.981 local terms energy: -860.357132 where: bonds (distance) C4'-P energy: -166.299 bonds (distance) P-C4' energy: -169.995 flat angles C4'-P-C4' energy: -192.382 flat angles P-C4'-P energy: -112.368 tors. eta vs tors. theta energy: -219.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2188.460746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.460746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.460746 (E_RNA) where: Base-Base interactions energy: -1406.317 where: short stacking energy: -649.037 Base-Backbone interact. energy: -0.038 local terms energy: -782.105936 where: bonds (distance) C4'-P energy: -158.556 bonds (distance) P-C4' energy: -171.687 flat angles C4'-P-C4' energy: -173.852 flat angles P-C4'-P energy: -102.777 tors. eta vs tors. theta energy: -175.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2034.318784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.318784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.318784 (E_RNA) where: Base-Base interactions energy: -1342.504 where: short stacking energy: -603.300 Base-Backbone interact. energy: -0.443 local terms energy: -691.371673 where: bonds (distance) C4'-P energy: -143.538 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -153.349 flat angles P-C4'-P energy: -104.803 tors. eta vs tors. theta energy: -150.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1445.886456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.886456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.886456 (E_RNA) where: Base-Base interactions energy: -850.862 where: short stacking energy: -415.097 Base-Backbone interact. energy: 12.119 local terms energy: -607.143316 where: bonds (distance) C4'-P energy: -127.584 bonds (distance) P-C4' energy: -171.132 flat angles C4'-P-C4' energy: -148.478 flat angles P-C4'-P energy: -101.341 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: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1061.783032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.783032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.783032 (E_RNA) where: Base-Base interactions energy: -565.227 where: short stacking energy: -316.580 Base-Backbone interact. energy: 3.701 local terms energy: -500.256597 where: bonds (distance) C4'-P energy: -148.196 bonds (distance) P-C4' energy: -131.700 flat angles C4'-P-C4' energy: -141.888 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -7.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -719.097613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.097613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.097613 (E_RNA) where: Base-Base interactions energy: -271.050 where: short stacking energy: -215.347 Base-Backbone interact. energy: 9.030 local terms energy: -457.077214 where: bonds (distance) C4'-P energy: -158.357 bonds (distance) P-C4' energy: -159.952 flat angles C4'-P-C4' energy: -102.201 flat angles P-C4'-P energy: -48.587 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: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3118.714953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.714953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.714953 (E_RNA) where: Base-Base interactions energy: -2102.476 where: short stacking energy: -966.291 Base-Backbone interact. energy: 0.728 local terms energy: -1016.967348 where: bonds (distance) C4'-P energy: -174.894 bonds (distance) P-C4' energy: -187.796 flat angles C4'-P-C4' energy: -210.333 flat angles P-C4'-P energy: -152.900 tors. eta vs tors. theta energy: -291.045 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2992.244213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.244213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.244213 (E_RNA) where: Base-Base interactions energy: -1999.069 where: short stacking energy: -934.911 Base-Backbone interact. energy: -6.101 local terms energy: -987.073683 where: bonds (distance) C4'-P energy: -182.935 bonds (distance) P-C4' energy: -184.883 flat angles C4'-P-C4' energy: -207.079 flat angles P-C4'-P energy: -139.769 tors. eta vs tors. theta energy: -272.408 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: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2874.834551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.834551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.834551 (E_RNA) where: Base-Base interactions energy: -1926.134 where: short stacking energy: -886.417 Base-Backbone interact. energy: -1.140 local terms energy: -947.560485 where: bonds (distance) C4'-P energy: -156.390 bonds (distance) P-C4' energy: -183.431 flat angles C4'-P-C4' energy: -208.743 flat angles P-C4'-P energy: -141.182 tors. eta vs tors. theta energy: -257.815 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: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2691.954647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.954647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.954647 (E_RNA) where: Base-Base interactions energy: -1825.113 where: short stacking energy: -815.402 Base-Backbone interact. energy: 2.135 local terms energy: -868.976416 where: bonds (distance) C4'-P energy: -158.490 bonds (distance) P-C4' energy: -177.467 flat angles C4'-P-C4' energy: -180.116 flat angles P-C4'-P energy: -127.875 tors. eta vs tors. theta energy: -225.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2531.941753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.941753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.941753 (E_RNA) where: Base-Base interactions energy: -1663.849 where: short stacking energy: -795.311 Base-Backbone interact. energy: -2.079 local terms energy: -866.013748 where: bonds (distance) C4'-P energy: -158.479 bonds (distance) P-C4' energy: -178.888 flat angles C4'-P-C4' energy: -176.128 flat angles P-C4'-P energy: -117.446 tors. eta vs tors. theta energy: -235.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2192.940505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.940505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.940505 (E_RNA) where: Base-Base interactions energy: -1389.299 where: short stacking energy: -628.022 Base-Backbone interact. energy: -2.760 local terms energy: -800.881444 where: bonds (distance) C4'-P energy: -159.988 bonds (distance) P-C4' energy: -173.693 flat angles C4'-P-C4' energy: -189.695 flat angles P-C4'-P energy: -115.596 tors. eta vs tors. theta energy: -161.909 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: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1985.858542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.858542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.858542 (E_RNA) where: Base-Base interactions energy: -1264.512 where: short stacking energy: -594.502 Base-Backbone interact. energy: 1.469 local terms energy: -722.815140 where: bonds (distance) C4'-P energy: -165.817 bonds (distance) P-C4' energy: -152.857 flat angles C4'-P-C4' energy: -157.311 flat angles P-C4'-P energy: -96.332 tors. eta vs tors. theta energy: -150.499 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: 325 Temperature: 1.250000 Total energy: -1390.054207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.054207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.054207 (E_RNA) where: Base-Base interactions energy: -793.353 where: short stacking energy: -418.687 Base-Backbone interact. energy: -2.325 local terms energy: -594.375775 where: bonds (distance) C4'-P energy: -159.896 bonds (distance) P-C4' energy: -159.692 flat angles C4'-P-C4' energy: -131.862 flat angles P-C4'-P energy: -78.181 tors. eta vs tors. theta energy: -64.745 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: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1028.957508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.957508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.957508 (E_RNA) where: Base-Base interactions energy: -522.531 where: short stacking energy: -297.965 Base-Backbone interact. energy: -1.619 local terms energy: -504.806924 where: bonds (distance) C4'-P energy: -146.095 bonds (distance) P-C4' energy: -152.959 flat angles C4'-P-C4' energy: -148.362 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -10.868 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: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -715.796923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.796923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.796923 (E_RNA) where: Base-Base interactions energy: -292.713 where: short stacking energy: -199.445 Base-Backbone interact. energy: 6.836 local terms energy: -429.920161 where: bonds (distance) C4'-P energy: -120.613 bonds (distance) P-C4' energy: -152.460 flat angles C4'-P-C4' energy: -118.125 flat angles P-C4'-P energy: -78.308 tors. eta vs tors. theta energy: 39.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3107.324872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.324872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.324872 (E_RNA) where: Base-Base interactions energy: -2111.494 where: short stacking energy: -948.374 Base-Backbone interact. energy: -3.438 local terms energy: -992.393312 where: bonds (distance) C4'-P energy: -186.924 bonds (distance) P-C4' energy: -178.183 flat angles C4'-P-C4' energy: -209.622 flat angles P-C4'-P energy: -150.143 tors. eta vs tors. theta energy: -267.521 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: 326 Temperature: 0.950000 Total energy: -2939.002046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.002046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.002046 (E_RNA) where: Base-Base interactions energy: -1967.489 where: short stacking energy: -919.895 Base-Backbone interact. energy: -2.760 local terms energy: -968.753383 where: bonds (distance) C4'-P energy: -175.246 bonds (distance) P-C4' energy: -175.728 flat angles C4'-P-C4' energy: -216.244 flat angles P-C4'-P energy: -143.251 tors. eta vs tors. theta energy: -258.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2834.440089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.440089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.440089 (E_RNA) where: Base-Base interactions energy: -1897.205 where: short stacking energy: -858.021 Base-Backbone interact. energy: -2.502 local terms energy: -934.733012 where: bonds (distance) C4'-P energy: -175.480 bonds (distance) P-C4' energy: -190.081 flat angles C4'-P-C4' energy: -185.940 flat angles P-C4'-P energy: -130.791 tors. eta vs tors. theta energy: -252.440 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: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2669.390735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.390735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.390735 (E_RNA) where: Base-Base interactions energy: -1802.285 where: short stacking energy: -774.506 Base-Backbone interact. energy: 3.902 local terms energy: -871.007877 where: bonds (distance) C4'-P energy: -185.332 bonds (distance) P-C4' energy: -164.575 flat angles C4'-P-C4' energy: -195.123 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -217.391 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: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2595.614904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.614904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.614904 (E_RNA) where: Base-Base interactions energy: -1733.602 where: short stacking energy: -797.009 Base-Backbone interact. energy: -1.124 local terms energy: -860.888953 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -166.906 flat angles C4'-P-C4' energy: -189.775 flat angles P-C4'-P energy: -133.910 tors. eta vs tors. theta energy: -225.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2239.921154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.921154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.921154 (E_RNA) where: Base-Base interactions energy: -1477.045 where: short stacking energy: -681.667 Base-Backbone interact. energy: 4.999 local terms energy: -767.876032 where: bonds (distance) C4'-P energy: -120.624 bonds (distance) P-C4' energy: -184.821 flat angles C4'-P-C4' energy: -167.951 flat angles P-C4'-P energy: -111.640 tors. eta vs tors. theta energy: -182.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2011.240736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.240736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.240736 (E_RNA) where: Base-Base interactions energy: -1304.289 where: short stacking energy: -579.631 Base-Backbone interact. energy: 0.206 local terms energy: -707.158113 where: bonds (distance) C4'-P energy: -153.846 bonds (distance) P-C4' energy: -148.198 flat angles C4'-P-C4' energy: -171.535 flat angles P-C4'-P energy: -101.029 tors. eta vs tors. theta energy: -132.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1428.071962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.071962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.071962 (E_RNA) where: Base-Base interactions energy: -859.165 where: short stacking energy: -438.278 Base-Backbone interact. energy: -1.255 local terms energy: -567.651867 where: bonds (distance) C4'-P energy: -144.912 bonds (distance) P-C4' energy: -140.941 flat angles C4'-P-C4' energy: -148.535 flat angles P-C4'-P energy: -59.724 tors. eta vs tors. theta energy: -73.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1070.705383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.705383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.705383 (E_RNA) where: Base-Base interactions energy: -530.499 where: short stacking energy: -291.748 Base-Backbone interact. energy: 2.549 local terms energy: -542.755554 where: bonds (distance) C4'-P energy: -145.702 bonds (distance) P-C4' energy: -141.526 flat angles C4'-P-C4' energy: -135.465 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -21.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -789.966000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.966000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.966000 (E_RNA) where: Base-Base interactions energy: -312.511 where: short stacking energy: -206.508 Base-Backbone interact. energy: -3.262 local terms energy: -474.192387 where: bonds (distance) C4'-P energy: -157.622 bonds (distance) P-C4' energy: -159.181 flat angles C4'-P-C4' energy: -135.952 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: 18.726 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: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3108.681304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.681304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.681304 (E_RNA) where: Base-Base interactions energy: -2121.344 where: short stacking energy: -947.175 Base-Backbone interact. energy: -3.850 local terms energy: -983.487075 where: bonds (distance) C4'-P energy: -175.924 bonds (distance) P-C4' energy: -183.105 flat angles C4'-P-C4' energy: -216.686 flat angles P-C4'-P energy: -134.939 tors. eta vs tors. theta energy: -272.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2965.225098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.225098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.225098 (E_RNA) where: Base-Base interactions energy: -2001.620 where: short stacking energy: -920.916 Base-Backbone interact. energy: -1.126 local terms energy: -962.479105 where: bonds (distance) C4'-P energy: -182.689 bonds (distance) P-C4' energy: -177.861 flat angles C4'-P-C4' energy: -201.614 flat angles P-C4'-P energy: -131.051 tors. eta vs tors. theta energy: -269.263 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: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2862.034201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.034201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.034201 (E_RNA) where: Base-Base interactions energy: -1912.827 where: short stacking energy: -867.180 Base-Backbone interact. energy: -0.914 local terms energy: -948.293305 where: bonds (distance) C4'-P energy: -168.552 bonds (distance) P-C4' energy: -186.543 flat angles C4'-P-C4' energy: -201.773 flat angles P-C4'-P energy: -150.076 tors. eta vs tors. theta energy: -241.349 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: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2710.986858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.986858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.986858 (E_RNA) where: Base-Base interactions energy: -1829.841 where: short stacking energy: -813.033 Base-Backbone interact. energy: -0.407 local terms energy: -880.738608 where: bonds (distance) C4'-P energy: -174.774 bonds (distance) P-C4' energy: -162.439 flat angles C4'-P-C4' energy: -185.208 flat angles P-C4'-P energy: -134.628 tors. eta vs tors. theta energy: -223.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2588.995511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.995511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.995511 (E_RNA) where: Base-Base interactions energy: -1709.142 where: short stacking energy: -796.314 Base-Backbone interact. energy: 2.000 local terms energy: -881.853437 where: bonds (distance) C4'-P energy: -161.066 bonds (distance) P-C4' energy: -170.771 flat angles C4'-P-C4' energy: -190.655 flat angles P-C4'-P energy: -123.714 tors. eta vs tors. theta energy: -235.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2217.503019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.503019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.503019 (E_RNA) where: Base-Base interactions energy: -1431.491 where: short stacking energy: -690.800 Base-Backbone interact. energy: 1.228 local terms energy: -787.239779 where: bonds (distance) C4'-P energy: -155.133 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -185.845 flat angles P-C4'-P energy: -114.942 tors. eta vs tors. theta energy: -194.731 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: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2055.780167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.780167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.780167 (E_RNA) where: Base-Base interactions energy: -1318.101 where: short stacking energy: -601.645 Base-Backbone interact. energy: -3.146 local terms energy: -734.533394 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -160.898 flat angles C4'-P-C4' energy: -170.182 flat angles P-C4'-P energy: -118.847 tors. eta vs tors. theta energy: -147.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1380.967259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.967259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.967259 (E_RNA) where: Base-Base interactions energy: -793.613 where: short stacking energy: -423.343 Base-Backbone interact. energy: 4.369 local terms energy: -591.723260 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -157.962 flat angles C4'-P-C4' energy: -142.117 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -70.714 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: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1165.420355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.420355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.420355 (E_RNA) where: Base-Base interactions energy: -627.548 where: short stacking energy: -301.769 Base-Backbone interact. energy: 2.669 local terms energy: -540.540618 where: bonds (distance) C4'-P energy: -163.071 bonds (distance) P-C4' energy: -152.779 flat angles C4'-P-C4' energy: -132.083 flat angles P-C4'-P energy: -86.993 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -742.998733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.998733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.998733 (E_RNA) where: Base-Base interactions energy: -326.445 where: short stacking energy: -236.425 Base-Backbone interact. energy: -1.143 local terms energy: -415.410680 where: bonds (distance) C4'-P energy: -106.234 bonds (distance) P-C4' energy: -140.898 flat angles C4'-P-C4' energy: -136.360 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: 22.330 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: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3139.884517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.884517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.884517 (E_RNA) where: Base-Base interactions energy: -2123.328 where: short stacking energy: -963.919 Base-Backbone interact. energy: -5.455 local terms energy: -1011.101518 where: bonds (distance) C4'-P energy: -179.319 bonds (distance) P-C4' energy: -185.402 flat angles C4'-P-C4' energy: -208.579 flat angles P-C4'-P energy: -154.537 tors. eta vs tors. theta energy: -283.265 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: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2921.679237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.679237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.679237 (E_RNA) where: Base-Base interactions energy: -1964.671 where: short stacking energy: -885.298 Base-Backbone interact. energy: -0.837 local terms energy: -956.170631 where: bonds (distance) C4'-P energy: -176.410 bonds (distance) P-C4' energy: -183.688 flat angles C4'-P-C4' energy: -207.344 flat angles P-C4'-P energy: -116.876 tors. eta vs tors. theta energy: -271.852 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: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2742.795769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.795769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.795769 (E_RNA) where: Base-Base interactions energy: -1841.056 where: short stacking energy: -851.164 Base-Backbone interact. energy: -0.593 local terms energy: -901.146584 where: bonds (distance) C4'-P energy: -164.822 bonds (distance) P-C4' energy: -161.749 flat angles C4'-P-C4' energy: -199.027 flat angles P-C4'-P energy: -145.235 tors. eta vs tors. theta energy: -230.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2723.447261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.447261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.447261 (E_RNA) where: Base-Base interactions energy: -1868.301 where: short stacking energy: -831.477 Base-Backbone interact. energy: -3.101 local terms energy: -852.045146 where: bonds (distance) C4'-P energy: -174.560 bonds (distance) P-C4' energy: -150.112 flat angles C4'-P-C4' energy: -181.996 flat angles P-C4'-P energy: -114.660 tors. eta vs tors. theta energy: -230.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2562.100367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.100367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.100367 (E_RNA) where: Base-Base interactions energy: -1714.083 where: short stacking energy: -784.713 Base-Backbone interact. energy: -3.886 local terms energy: -844.130898 where: bonds (distance) C4'-P energy: -149.455 bonds (distance) P-C4' energy: -174.910 flat angles C4'-P-C4' energy: -164.671 flat angles P-C4'-P energy: -124.043 tors. eta vs tors. theta energy: -231.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2261.920902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.920902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.920902 (E_RNA) where: Base-Base interactions energy: -1446.370 where: short stacking energy: -679.315 Base-Backbone interact. energy: -2.766 local terms energy: -812.784828 where: bonds (distance) C4'-P energy: -165.757 bonds (distance) P-C4' energy: -147.830 flat angles C4'-P-C4' energy: -190.643 flat angles P-C4'-P energy: -111.571 tors. eta vs tors. theta energy: -196.984 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2050.812794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.812794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.812794 (E_RNA) where: Base-Base interactions energy: -1298.803 where: short stacking energy: -592.358 Base-Backbone interact. energy: 2.809 local terms energy: -754.818652 where: bonds (distance) C4'-P energy: -158.833 bonds (distance) P-C4' energy: -163.034 flat angles C4'-P-C4' energy: -185.763 flat angles P-C4'-P energy: -97.153 tors. eta vs tors. theta energy: -150.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1425.239718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.239718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.239718 (E_RNA) where: Base-Base interactions energy: -804.143 where: short stacking energy: -429.742 Base-Backbone interact. energy: -0.078 local terms energy: -621.018221 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -151.928 flat angles C4'-P-C4' energy: -170.837 flat angles P-C4'-P energy: -86.430 tors. eta vs tors. theta energy: -68.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1181.302406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.302406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.302406 (E_RNA) where: Base-Base interactions energy: -658.655 where: short stacking energy: -358.683 Base-Backbone interact. energy: -4.035 local terms energy: -518.612556 where: bonds (distance) C4'-P energy: -138.375 bonds (distance) P-C4' energy: -143.206 flat angles C4'-P-C4' energy: -119.027 flat angles P-C4'-P energy: -80.301 tors. eta vs tors. theta energy: -37.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -852.704207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.704207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.704207 (E_RNA) where: Base-Base interactions energy: -391.629 where: short stacking energy: -234.588 Base-Backbone interact. energy: -1.186 local terms energy: -459.889082 where: bonds (distance) C4'-P energy: -139.171 bonds (distance) P-C4' energy: -164.421 flat angles C4'-P-C4' energy: -116.409 flat angles P-C4'-P energy: -60.807 tors. eta vs tors. theta energy: 20.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3136.905312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.905312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.905312 (E_RNA) where: Base-Base interactions energy: -2115.021 where: short stacking energy: -937.963 Base-Backbone interact. energy: 1.126 local terms energy: -1023.009938 where: bonds (distance) C4'-P energy: -188.972 bonds (distance) P-C4' energy: -198.948 flat angles C4'-P-C4' energy: -222.372 flat angles P-C4'-P energy: -136.380 tors. eta vs tors. theta energy: -276.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2958.516124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.516124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.516124 (E_RNA) where: Base-Base interactions energy: -1980.523 where: short stacking energy: -927.253 Base-Backbone interact. energy: -6.548 local terms energy: -971.445001 where: bonds (distance) C4'-P energy: -173.728 bonds (distance) P-C4' energy: -192.761 flat angles C4'-P-C4' energy: -210.958 flat angles P-C4'-P energy: -127.948 tors. eta vs tors. theta energy: -266.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2806.630381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.630381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.630381 (E_RNA) where: Base-Base interactions energy: -1885.026 where: short stacking energy: -861.893 Base-Backbone interact. energy: -1.151 local terms energy: -920.453624 where: bonds (distance) C4'-P energy: -168.114 bonds (distance) P-C4' energy: -175.499 flat angles C4'-P-C4' energy: -207.291 flat angles P-C4'-P energy: -132.116 tors. eta vs tors. theta energy: -237.434 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: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2694.787579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.787579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.787579 (E_RNA) where: Base-Base interactions energy: -1812.104 where: short stacking energy: -785.350 Base-Backbone interact. energy: 0.616 local terms energy: -883.299538 where: bonds (distance) C4'-P energy: -174.119 bonds (distance) P-C4' energy: -177.408 flat angles C4'-P-C4' energy: -184.110 flat angles P-C4'-P energy: -115.203 tors. eta vs tors. theta energy: -232.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2553.851295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.851295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.851295 (E_RNA) where: Base-Base interactions energy: -1712.916 where: short stacking energy: -785.364 Base-Backbone interact. energy: -3.950 local terms energy: -836.985291 where: bonds (distance) C4'-P energy: -141.954 bonds (distance) P-C4' energy: -172.703 flat angles C4'-P-C4' energy: -171.486 flat angles P-C4'-P energy: -120.962 tors. eta vs tors. theta energy: -229.880 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: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2219.829728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.829728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.829728 (E_RNA) where: Base-Base interactions energy: -1427.969 where: short stacking energy: -656.377 Base-Backbone interact. energy: -0.305 local terms energy: -791.555210 where: bonds (distance) C4'-P energy: -158.792 bonds (distance) P-C4' energy: -156.418 flat angles C4'-P-C4' energy: -165.627 flat angles P-C4'-P energy: -122.146 tors. eta vs tors. theta energy: -188.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2018.524746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.524746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.524746 (E_RNA) where: Base-Base interactions energy: -1323.176 where: short stacking energy: -604.348 Base-Backbone interact. energy: -1.358 local terms energy: -693.991004 where: bonds (distance) C4'-P energy: -145.592 bonds (distance) P-C4' energy: -136.892 flat angles C4'-P-C4' energy: -164.956 flat angles P-C4'-P energy: -109.740 tors. eta vs tors. theta energy: -136.810 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: 329 Temperature: 1.250000 Total energy: -1441.604316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.604316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.604316 (E_RNA) where: Base-Base interactions energy: -826.251 where: short stacking energy: -428.357 Base-Backbone interact. energy: 6.275 local terms energy: -621.627921 where: bonds (distance) C4'-P energy: -135.529 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -138.536 flat angles P-C4'-P energy: -98.548 tors. eta vs tors. theta energy: -85.792 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: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1208.085112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.085112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.085112 (E_RNA) where: Base-Base interactions energy: -675.298 where: short stacking energy: -355.534 Base-Backbone interact. energy: 0.791 local terms energy: -533.578152 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -156.948 flat angles C4'-P-C4' energy: -143.698 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -36.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -827.808627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.808627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.808627 (E_RNA) where: Base-Base interactions energy: -367.046 where: short stacking energy: -237.345 Base-Backbone interact. energy: 5.367 local terms energy: -466.129678 where: bonds (distance) C4'-P energy: -157.027 bonds (distance) P-C4' energy: -128.171 flat angles C4'-P-C4' energy: -133.296 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: 23.975 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: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3126.407715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.407715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.407715 (E_RNA) where: Base-Base interactions energy: -2110.592 where: short stacking energy: -931.375 Base-Backbone interact. energy: -1.817 local terms energy: -1013.998193 where: bonds (distance) C4'-P energy: -182.861 bonds (distance) P-C4' energy: -206.644 flat angles C4'-P-C4' energy: -215.723 flat angles P-C4'-P energy: -129.671 tors. eta vs tors. theta energy: -279.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2970.713699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.713699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.713699 (E_RNA) where: Base-Base interactions energy: -2009.409 where: short stacking energy: -897.570 Base-Backbone interact. energy: -7.037 local terms energy: -954.267043 where: bonds (distance) C4'-P energy: -170.884 bonds (distance) P-C4' energy: -193.641 flat angles C4'-P-C4' energy: -192.774 flat angles P-C4'-P energy: -123.543 tors. eta vs tors. theta energy: -273.425 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: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2777.240702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.240702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.240702 (E_RNA) where: Base-Base interactions energy: -1852.869 where: short stacking energy: -895.622 Base-Backbone interact. energy: -3.996 local terms energy: -920.376486 where: bonds (distance) C4'-P energy: -171.006 bonds (distance) P-C4' energy: -161.890 flat angles C4'-P-C4' energy: -186.941 flat angles P-C4'-P energy: -144.040 tors. eta vs tors. theta energy: -256.500 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: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2652.362969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.362969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.362969 (E_RNA) where: Base-Base interactions energy: -1789.403 where: short stacking energy: -752.574 Base-Backbone interact. energy: -1.269 local terms energy: -861.690809 where: bonds (distance) C4'-P energy: -186.997 bonds (distance) P-C4' energy: -162.603 flat angles C4'-P-C4' energy: -191.267 flat angles P-C4'-P energy: -128.090 tors. eta vs tors. theta energy: -192.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2569.443965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.443965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.443965 (E_RNA) where: Base-Base interactions energy: -1715.583 where: short stacking energy: -827.392 Base-Backbone interact. energy: -1.336 local terms energy: -852.525691 where: bonds (distance) C4'-P energy: -151.135 bonds (distance) P-C4' energy: -166.377 flat angles C4'-P-C4' energy: -177.143 flat angles P-C4'-P energy: -128.412 tors. eta vs tors. theta energy: -229.458 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: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2179.481035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.481035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.481035 (E_RNA) where: Base-Base interactions energy: -1386.029 where: short stacking energy: -676.662 Base-Backbone interact. energy: -0.901 local terms energy: -792.550767 where: bonds (distance) C4'-P energy: -169.329 bonds (distance) P-C4' energy: -171.350 flat angles C4'-P-C4' energy: -170.036 flat angles P-C4'-P energy: -107.664 tors. eta vs tors. theta energy: -174.172 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: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1942.012300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.012300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.012300 (E_RNA) where: Base-Base interactions energy: -1265.472 where: short stacking energy: -575.015 Base-Backbone interact. energy: 0.249 local terms energy: -676.788537 where: bonds (distance) C4'-P energy: -129.578 bonds (distance) P-C4' energy: -162.111 flat angles C4'-P-C4' energy: -159.226 flat angles P-C4'-P energy: -101.354 tors. eta vs tors. theta energy: -124.519 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: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1490.034095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.034095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.034095 (E_RNA) where: Base-Base interactions energy: -866.120 where: short stacking energy: -442.078 Base-Backbone interact. energy: 9.262 local terms energy: -633.176367 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -161.973 flat angles C4'-P-C4' energy: -170.598 flat angles P-C4'-P energy: -87.527 tors. eta vs tors. theta energy: -66.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1174.177607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.177607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.177607 (E_RNA) where: Base-Base interactions energy: -663.416 where: short stacking energy: -370.550 Base-Backbone interact. energy: 7.294 local terms energy: -518.055863 where: bonds (distance) C4'-P energy: -128.257 bonds (distance) P-C4' energy: -131.587 flat angles C4'-P-C4' energy: -122.425 flat angles P-C4'-P energy: -107.296 tors. eta vs tors. theta energy: -28.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -808.867136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.867136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.867136 (E_RNA) where: Base-Base interactions energy: -347.567 where: short stacking energy: -206.342 Base-Backbone interact. energy: 0.489 local terms energy: -461.788397 where: bonds (distance) C4'-P energy: -160.346 bonds (distance) P-C4' energy: -161.513 flat angles C4'-P-C4' energy: -100.186 flat angles P-C4'-P energy: -83.612 tors. eta vs tors. theta energy: 43.868 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: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3130.084374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.084374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.084374 (E_RNA) where: Base-Base interactions energy: -2134.337 where: short stacking energy: -945.851 Base-Backbone interact. energy: -0.920 local terms energy: -994.826894 where: bonds (distance) C4'-P energy: -168.570 bonds (distance) P-C4' energy: -191.038 flat angles C4'-P-C4' energy: -222.171 flat angles P-C4'-P energy: -136.822 tors. eta vs tors. theta energy: -276.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2944.831294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.831294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.831294 (E_RNA) where: Base-Base interactions energy: -2022.874 where: short stacking energy: -905.291 Base-Backbone interact. energy: -2.922 local terms energy: -919.035725 where: bonds (distance) C4'-P energy: -156.600 bonds (distance) P-C4' energy: -181.191 flat angles C4'-P-C4' energy: -208.070 flat angles P-C4'-P energy: -122.757 tors. eta vs tors. theta energy: -250.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2853.942913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.942913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.942913 (E_RNA) where: Base-Base interactions energy: -1899.933 where: short stacking energy: -858.136 Base-Backbone interact. energy: -4.792 local terms energy: -949.217668 where: bonds (distance) C4'-P energy: -189.233 bonds (distance) P-C4' energy: -187.787 flat angles C4'-P-C4' energy: -203.577 flat angles P-C4'-P energy: -121.276 tors. eta vs tors. theta energy: -247.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2692.200408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.200408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.200408 (E_RNA) where: Base-Base interactions energy: -1844.475 where: short stacking energy: -795.716 Base-Backbone interact. energy: -4.010 local terms energy: -843.715370 where: bonds (distance) C4'-P energy: -154.933 bonds (distance) P-C4' energy: -152.812 flat angles C4'-P-C4' energy: -194.356 flat angles P-C4'-P energy: -121.820 tors. eta vs tors. theta energy: -219.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2587.230281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.230281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.230281 (E_RNA) where: Base-Base interactions energy: -1714.548 where: short stacking energy: -775.726 Base-Backbone interact. energy: 0.091 local terms energy: -872.773051 where: bonds (distance) C4'-P energy: -160.807 bonds (distance) P-C4' energy: -171.726 flat angles C4'-P-C4' energy: -195.514 flat angles P-C4'-P energy: -119.740 tors. eta vs tors. theta energy: -224.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2249.565465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.565465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.565465 (E_RNA) where: Base-Base interactions energy: -1498.295 where: short stacking energy: -662.095 Base-Backbone interact. energy: -3.085 local terms energy: -748.185955 where: bonds (distance) C4'-P energy: -131.389 bonds (distance) P-C4' energy: -166.713 flat angles C4'-P-C4' energy: -174.725 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -167.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1969.924495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.924495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.924495 (E_RNA) where: Base-Base interactions energy: -1277.083 where: short stacking energy: -576.015 Base-Backbone interact. energy: -2.322 local terms energy: -690.519315 where: bonds (distance) C4'-P energy: -147.224 bonds (distance) P-C4' energy: -173.769 flat angles C4'-P-C4' energy: -156.711 flat angles P-C4'-P energy: -101.504 tors. eta vs tors. theta energy: -111.311 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: 331 Temperature: 1.250000 Total energy: -1492.750404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.750404 (E_RNA) where: Base-Base interactions energy: -901.204 where: short stacking energy: -463.959 Base-Backbone interact. energy: 3.935 local terms energy: -595.481870 where: bonds (distance) C4'-P energy: -151.098 bonds (distance) P-C4' energy: -131.314 flat angles C4'-P-C4' energy: -139.857 flat angles P-C4'-P energy: -73.722 tors. eta vs tors. theta energy: -99.492 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: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1185.486627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.486627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.486627 (E_RNA) where: Base-Base interactions energy: -632.147 where: short stacking energy: -338.662 Base-Backbone interact. energy: 2.923 local terms energy: -556.263205 where: bonds (distance) C4'-P energy: -155.143 bonds (distance) P-C4' energy: -169.542 flat angles C4'-P-C4' energy: -131.276 flat angles P-C4'-P energy: -80.134 tors. eta vs tors. theta energy: -20.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -749.988754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.988754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.988754 (E_RNA) where: Base-Base interactions energy: -278.597 where: short stacking energy: -214.328 Base-Backbone interact. energy: 2.197 local terms energy: -473.588705 where: bonds (distance) C4'-P energy: -144.181 bonds (distance) P-C4' energy: -137.800 flat angles C4'-P-C4' energy: -145.983 flat angles P-C4'-P energy: -78.144 tors. eta vs tors. theta energy: 32.519 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: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3141.197101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.197101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.197101 (E_RNA) where: Base-Base interactions energy: -2130.140 where: short stacking energy: -968.150 Base-Backbone interact. energy: -6.229 local terms energy: -1004.827226 where: bonds (distance) C4'-P energy: -172.801 bonds (distance) P-C4' energy: -192.961 flat angles C4'-P-C4' energy: -214.828 flat angles P-C4'-P energy: -147.905 tors. eta vs tors. theta energy: -276.332 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: 332 Temperature: 0.950000 Total energy: -3028.906720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.906720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.906720 (E_RNA) where: Base-Base interactions energy: -2053.933 where: short stacking energy: -934.484 Base-Backbone interact. energy: 2.179 local terms energy: -977.153025 where: bonds (distance) C4'-P energy: -164.718 bonds (distance) P-C4' energy: -199.404 flat angles C4'-P-C4' energy: -212.908 flat angles P-C4'-P energy: -138.704 tors. eta vs tors. theta energy: -261.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2830.638377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.638377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.638377 (E_RNA) where: Base-Base interactions energy: -1908.529 where: short stacking energy: -868.404 Base-Backbone interact. energy: -2.245 local terms energy: -919.864188 where: bonds (distance) C4'-P energy: -178.955 bonds (distance) P-C4' energy: -168.893 flat angles C4'-P-C4' energy: -188.978 flat angles P-C4'-P energy: -131.248 tors. eta vs tors. theta energy: -251.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2628.126012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.126012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.126012 (E_RNA) where: Base-Base interactions energy: -1779.000 where: short stacking energy: -775.749 Base-Backbone interact. energy: -2.095 local terms energy: -847.030932 where: bonds (distance) C4'-P energy: -159.194 bonds (distance) P-C4' energy: -156.634 flat angles C4'-P-C4' energy: -192.918 flat angles P-C4'-P energy: -138.282 tors. eta vs tors. theta energy: -200.003 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: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2596.601811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.601811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.601811 (E_RNA) where: Base-Base interactions energy: -1756.250 where: short stacking energy: -850.898 Base-Backbone interact. energy: -1.059 local terms energy: -839.292608 where: bonds (distance) C4'-P energy: -118.555 bonds (distance) P-C4' energy: -175.301 flat angles C4'-P-C4' energy: -182.774 flat angles P-C4'-P energy: -118.278 tors. eta vs tors. theta energy: -244.383 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: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2190.492449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.492449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.492449 (E_RNA) where: Base-Base interactions energy: -1425.194 where: short stacking energy: -642.066 Base-Backbone interact. energy: 2.550 local terms energy: -767.848961 where: bonds (distance) C4'-P energy: -149.181 bonds (distance) P-C4' energy: -164.600 flat angles C4'-P-C4' energy: -181.611 flat angles P-C4'-P energy: -112.958 tors. eta vs tors. theta energy: -159.498 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: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2054.728726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.728726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.728726 (E_RNA) where: Base-Base interactions energy: -1304.206 where: short stacking energy: -595.692 Base-Backbone interact. energy: -2.028 local terms energy: -748.494394 where: bonds (distance) C4'-P energy: -164.173 bonds (distance) P-C4' energy: -177.090 flat angles C4'-P-C4' energy: -155.289 flat angles P-C4'-P energy: -112.795 tors. eta vs tors. theta energy: -139.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1716.397255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.397255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.397255 (E_RNA) where: Base-Base interactions energy: -1056.909 where: short stacking energy: -548.664 Base-Backbone interact. energy: -4.263 local terms energy: -655.225742 where: bonds (distance) C4'-P energy: -144.570 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -89.045 tors. eta vs tors. theta energy: -113.499 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: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1255.698505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.698505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.698505 (E_RNA) where: Base-Base interactions energy: -683.152 where: short stacking energy: -352.235 Base-Backbone interact. energy: 1.122 local terms energy: -573.668639 where: bonds (distance) C4'-P energy: -139.277 bonds (distance) P-C4' energy: -156.718 flat angles C4'-P-C4' energy: -140.379 flat angles P-C4'-P energy: -84.824 tors. eta vs tors. theta energy: -52.471 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: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -756.421292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.421292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.421292 (E_RNA) where: Base-Base interactions energy: -321.641 where: short stacking energy: -235.468 Base-Backbone interact. energy: 1.810 local terms energy: -436.590374 where: bonds (distance) C4'-P energy: -116.189 bonds (distance) P-C4' energy: -150.433 flat angles C4'-P-C4' energy: -126.763 flat angles P-C4'-P energy: -72.392 tors. eta vs tors. theta energy: 29.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3131.376152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.376152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.376152 (E_RNA) where: Base-Base interactions energy: -2144.050 where: short stacking energy: -943.819 Base-Backbone interact. energy: -6.608 local terms energy: -980.718398 where: bonds (distance) C4'-P energy: -173.804 bonds (distance) P-C4' energy: -192.331 flat angles C4'-P-C4' energy: -209.033 flat angles P-C4'-P energy: -132.178 tors. eta vs tors. theta energy: -273.373 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: 333 Temperature: 0.950000 Total energy: -2957.093582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.093582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.093582 (E_RNA) where: Base-Base interactions energy: -1980.112 where: short stacking energy: -908.505 Base-Backbone interact. energy: 0.088 local terms energy: -977.069644 where: bonds (distance) C4'-P energy: -187.772 bonds (distance) P-C4' energy: -180.956 flat angles C4'-P-C4' energy: -199.029 flat angles P-C4'-P energy: -146.770 tors. eta vs tors. theta energy: -262.543 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: 333 Temperature: 1.000000 Total energy: -2864.508033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.508033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.508033 (E_RNA) where: Base-Base interactions energy: -1949.446 where: short stacking energy: -862.880 Base-Backbone interact. energy: -3.264 local terms energy: -911.798035 where: bonds (distance) C4'-P energy: -169.149 bonds (distance) P-C4' energy: -160.283 flat angles C4'-P-C4' energy: -194.116 flat angles P-C4'-P energy: -133.375 tors. eta vs tors. theta energy: -254.875 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: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2636.922528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.922528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.922528 (E_RNA) where: Base-Base interactions energy: -1782.216 where: short stacking energy: -794.635 Base-Backbone interact. energy: 6.123 local terms energy: -860.829715 where: bonds (distance) C4'-P energy: -168.191 bonds (distance) P-C4' energy: -166.719 flat angles C4'-P-C4' energy: -185.417 flat angles P-C4'-P energy: -121.179 tors. eta vs tors. theta energy: -219.324 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: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2608.240751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.240751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.240751 (E_RNA) where: Base-Base interactions energy: -1743.238 where: short stacking energy: -796.649 Base-Backbone interact. energy: -2.843 local terms energy: -862.159377 where: bonds (distance) C4'-P energy: -140.061 bonds (distance) P-C4' energy: -178.379 flat angles C4'-P-C4' energy: -190.015 flat angles P-C4'-P energy: -111.812 tors. eta vs tors. theta energy: -241.892 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: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2188.342733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.342733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.342733 (E_RNA) where: Base-Base interactions energy: -1435.163 where: short stacking energy: -660.114 Base-Backbone interact. energy: -0.072 local terms energy: -753.107846 where: bonds (distance) C4'-P energy: -134.124 bonds (distance) P-C4' energy: -178.233 flat angles C4'-P-C4' energy: -175.120 flat angles P-C4'-P energy: -89.563 tors. eta vs tors. theta energy: -176.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2011.063693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.063693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.063693 (E_RNA) where: Base-Base interactions energy: -1300.537 where: short stacking energy: -588.007 Base-Backbone interact. energy: -2.688 local terms energy: -707.838469 where: bonds (distance) C4'-P energy: -162.333 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -153.466 flat angles P-C4'-P energy: -126.066 tors. eta vs tors. theta energy: -128.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1629.117189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.117189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.117189 (E_RNA) where: Base-Base interactions energy: -960.924 where: short stacking energy: -495.592 Base-Backbone interact. energy: -1.784 local terms energy: -666.409177 where: bonds (distance) C4'-P energy: -152.848 bonds (distance) P-C4' energy: -163.677 flat angles C4'-P-C4' energy: -167.575 flat angles P-C4'-P energy: -88.187 tors. eta vs tors. theta energy: -94.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1214.503881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.503881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.503881 (E_RNA) where: Base-Base interactions energy: -661.459 where: short stacking energy: -357.008 Base-Backbone interact. energy: -4.833 local terms energy: -548.211871 where: bonds (distance) C4'-P energy: -137.745 bonds (distance) P-C4' energy: -150.728 flat angles C4'-P-C4' energy: -144.128 flat angles P-C4'-P energy: -82.903 tors. eta vs tors. theta energy: -32.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -773.142601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.142601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.142601 (E_RNA) where: Base-Base interactions energy: -336.952 where: short stacking energy: -219.955 Base-Backbone interact. energy: 3.047 local terms energy: -439.237363 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -143.014 flat angles C4'-P-C4' energy: -121.591 flat angles P-C4'-P energy: -62.445 tors. eta vs tors. theta energy: 23.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3136.606529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.606529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.606529 (E_RNA) where: Base-Base interactions energy: -2102.678 where: short stacking energy: -937.539 Base-Backbone interact. energy: -2.776 local terms energy: -1031.152672 where: bonds (distance) C4'-P energy: -196.138 bonds (distance) P-C4' energy: -188.345 flat angles C4'-P-C4' energy: -216.431 flat angles P-C4'-P energy: -147.460 tors. eta vs tors. theta energy: -282.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2949.027870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.027870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.027870 (E_RNA) where: Base-Base interactions energy: -1984.969 where: short stacking energy: -923.077 Base-Backbone interact. energy: -4.698 local terms energy: -959.361109 where: bonds (distance) C4'-P energy: -175.735 bonds (distance) P-C4' energy: -168.581 flat angles C4'-P-C4' energy: -206.816 flat angles P-C4'-P energy: -145.416 tors. eta vs tors. theta energy: -262.813 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: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2886.784937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.784937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.784937 (E_RNA) where: Base-Base interactions energy: -1951.493 where: short stacking energy: -888.127 Base-Backbone interact. energy: -0.309 local terms energy: -934.982593 where: bonds (distance) C4'-P energy: -168.493 bonds (distance) P-C4' energy: -179.632 flat angles C4'-P-C4' energy: -189.862 flat angles P-C4'-P energy: -130.698 tors. eta vs tors. theta energy: -266.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2627.431281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.431281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.431281 (E_RNA) where: Base-Base interactions energy: -1788.211 where: short stacking energy: -791.560 Base-Backbone interact. energy: 9.396 local terms energy: -848.616412 where: bonds (distance) C4'-P energy: -161.395 bonds (distance) P-C4' energy: -166.638 flat angles C4'-P-C4' energy: -197.669 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -227.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2613.389978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.389978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.389978 (E_RNA) where: Base-Base interactions energy: -1709.141 where: short stacking energy: -780.835 Base-Backbone interact. energy: -3.481 local terms energy: -900.768820 where: bonds (distance) C4'-P energy: -165.962 bonds (distance) P-C4' energy: -177.858 flat angles C4'-P-C4' energy: -191.498 flat angles P-C4'-P energy: -127.774 tors. eta vs tors. theta energy: -237.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2284.363141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.363141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.363141 (E_RNA) where: Base-Base interactions energy: -1518.630 where: short stacking energy: -701.066 Base-Backbone interact. energy: 0.157 local terms energy: -765.890840 where: bonds (distance) C4'-P energy: -156.491 bonds (distance) P-C4' energy: -156.477 flat angles C4'-P-C4' energy: -177.779 flat angles P-C4'-P energy: -92.020 tors. eta vs tors. theta energy: -183.124 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: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2097.459529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.459529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.459529 (E_RNA) where: Base-Base interactions energy: -1359.076 where: short stacking energy: -604.688 Base-Backbone interact. energy: 0.287 local terms energy: -738.670942 where: bonds (distance) C4'-P energy: -151.895 bonds (distance) P-C4' energy: -176.969 flat angles C4'-P-C4' energy: -180.165 flat angles P-C4'-P energy: -84.875 tors. eta vs tors. theta energy: -144.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1609.977531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.977531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.977531 (E_RNA) where: Base-Base interactions energy: -992.058 where: short stacking energy: -451.197 Base-Backbone interact. energy: -1.788 local terms energy: -616.131304 where: bonds (distance) C4'-P energy: -143.637 bonds (distance) P-C4' energy: -149.018 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -88.639 tors. eta vs tors. theta energy: -69.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1227.759597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.759597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.759597 (E_RNA) where: Base-Base interactions energy: -707.329 where: short stacking energy: -366.487 Base-Backbone interact. energy: -1.354 local terms energy: -519.076400 where: bonds (distance) C4'-P energy: -141.445 bonds (distance) P-C4' energy: -150.557 flat angles C4'-P-C4' energy: -132.851 flat angles P-C4'-P energy: -84.364 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -785.752691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.752691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.752691 (E_RNA) where: Base-Base interactions energy: -306.758 where: short stacking energy: -198.810 Base-Backbone interact. energy: 5.370 local terms energy: -484.365311 where: bonds (distance) C4'-P energy: -130.652 bonds (distance) P-C4' energy: -153.116 flat angles C4'-P-C4' energy: -138.438 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: 11.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3148.439910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.439910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.439910 (E_RNA) where: Base-Base interactions energy: -2162.316 where: short stacking energy: -972.164 Base-Backbone interact. energy: -4.277 local terms energy: -981.847809 where: bonds (distance) C4'-P energy: -171.318 bonds (distance) P-C4' energy: -191.865 flat angles C4'-P-C4' energy: -200.828 flat angles P-C4'-P energy: -137.325 tors. eta vs tors. theta energy: -280.512 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: 2, replica: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2917.646488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.646488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.646488 (E_RNA) where: Base-Base interactions energy: -1963.255 where: short stacking energy: -910.935 Base-Backbone interact. energy: -7.178 local terms energy: -947.213089 where: bonds (distance) C4'-P energy: -164.848 bonds (distance) P-C4' energy: -175.147 flat angles C4'-P-C4' energy: -211.131 flat angles P-C4'-P energy: -132.320 tors. eta vs tors. theta energy: -263.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2922.358319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.358319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.358319 (E_RNA) where: Base-Base interactions energy: -1972.941 where: short stacking energy: -884.077 Base-Backbone interact. energy: -5.202 local terms energy: -944.215089 where: bonds (distance) C4'-P energy: -166.458 bonds (distance) P-C4' energy: -179.180 flat angles C4'-P-C4' energy: -199.927 flat angles P-C4'-P energy: -134.944 tors. eta vs tors. theta energy: -263.707 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: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2637.372893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.372893 (E_RNA) where: Base-Base interactions energy: -1781.679 where: short stacking energy: -787.059 Base-Backbone interact. energy: 3.277 local terms energy: -858.970668 where: bonds (distance) C4'-P energy: -172.487 bonds (distance) P-C4' energy: -176.618 flat angles C4'-P-C4' energy: -186.339 flat angles P-C4'-P energy: -121.036 tors. eta vs tors. theta energy: -202.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2614.201596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.201596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.201596 (E_RNA) where: Base-Base interactions energy: -1733.401 where: short stacking energy: -795.497 Base-Backbone interact. energy: -1.564 local terms energy: -879.236726 where: bonds (distance) C4'-P energy: -162.983 bonds (distance) P-C4' energy: -166.168 flat angles C4'-P-C4' energy: -184.715 flat angles P-C4'-P energy: -136.355 tors. eta vs tors. theta energy: -229.016 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: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2337.979619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.979619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.979619 (E_RNA) where: Base-Base interactions energy: -1541.639 where: short stacking energy: -729.953 Base-Backbone interact. energy: 3.405 local terms energy: -799.745747 where: bonds (distance) C4'-P energy: -151.234 bonds (distance) P-C4' energy: -164.684 flat angles C4'-P-C4' energy: -195.515 flat angles P-C4'-P energy: -103.104 tors. eta vs tors. theta energy: -185.209 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: 335 Temperature: 1.200000 Total energy: -2101.586128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.586128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.586128 (E_RNA) where: Base-Base interactions energy: -1364.019 where: short stacking energy: -628.392 Base-Backbone interact. energy: -1.052 local terms energy: -736.515562 where: bonds (distance) C4'-P energy: -148.137 bonds (distance) P-C4' energy: -146.007 flat angles C4'-P-C4' energy: -166.829 flat angles P-C4'-P energy: -106.419 tors. eta vs tors. theta energy: -169.124 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: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1549.625364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.625364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.625364 (E_RNA) where: Base-Base interactions energy: -911.978 where: short stacking energy: -460.450 Base-Backbone interact. energy: 1.198 local terms energy: -638.845150 where: bonds (distance) C4'-P energy: -147.292 bonds (distance) P-C4' energy: -156.785 flat angles C4'-P-C4' energy: -148.160 flat angles P-C4'-P energy: -94.304 tors. eta vs tors. theta energy: -92.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1236.320910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.320910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.320910 (E_RNA) where: Base-Base interactions energy: -708.312 where: short stacking energy: -329.069 Base-Backbone interact. energy: 7.628 local terms energy: -535.637214 where: bonds (distance) C4'-P energy: -134.001 bonds (distance) P-C4' energy: -156.572 flat angles C4'-P-C4' energy: -148.579 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -29.824 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: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -818.699856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.699856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.699856 (E_RNA) where: Base-Base interactions energy: -367.271 where: short stacking energy: -232.946 Base-Backbone interact. energy: 2.228 local terms energy: -453.656716 where: bonds (distance) C4'-P energy: -127.145 bonds (distance) P-C4' energy: -145.552 flat angles C4'-P-C4' energy: -145.821 flat angles P-C4'-P energy: -71.468 tors. eta vs tors. theta energy: 36.329 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: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3118.216017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.216017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.216017 (E_RNA) where: Base-Base interactions energy: -2133.003 where: short stacking energy: -985.354 Base-Backbone interact. energy: -5.233 local terms energy: -979.979133 where: bonds (distance) C4'-P energy: -164.016 bonds (distance) P-C4' energy: -169.562 flat angles C4'-P-C4' energy: -213.496 flat angles P-C4'-P energy: -152.237 tors. eta vs tors. theta energy: -280.668 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: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2929.941027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.941027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.941027 (E_RNA) where: Base-Base interactions energy: -1950.187 where: short stacking energy: -935.594 Base-Backbone interact. energy: -4.539 local terms energy: -975.215170 where: bonds (distance) C4'-P energy: -186.941 bonds (distance) P-C4' energy: -175.687 flat angles C4'-P-C4' energy: -198.375 flat angles P-C4'-P energy: -147.372 tors. eta vs tors. theta energy: -266.840 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: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2861.744935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.744935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.744935 (E_RNA) where: Base-Base interactions energy: -1920.512 where: short stacking energy: -886.938 Base-Backbone interact. energy: -2.396 local terms energy: -938.837023 where: bonds (distance) C4'-P energy: -149.565 bonds (distance) P-C4' energy: -174.050 flat angles C4'-P-C4' energy: -204.490 flat angles P-C4'-P energy: -142.187 tors. eta vs tors. theta energy: -268.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2691.280492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.280492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.280492 (E_RNA) where: Base-Base interactions energy: -1835.644 where: short stacking energy: -813.769 Base-Backbone interact. energy: -2.675 local terms energy: -852.960794 where: bonds (distance) C4'-P energy: -170.141 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -180.814 flat angles P-C4'-P energy: -123.297 tors. eta vs tors. theta energy: -223.634 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: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2557.314196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.314196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.314196 (E_RNA) where: Base-Base interactions energy: -1745.508 where: short stacking energy: -797.065 Base-Backbone interact. energy: -0.471 local terms energy: -811.335258 where: bonds (distance) C4'-P energy: -148.194 bonds (distance) P-C4' energy: -151.961 flat angles C4'-P-C4' energy: -187.593 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -226.281 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: 336 Temperature: 1.150000 Total energy: -2334.620018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.620018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.620018 (E_RNA) where: Base-Base interactions energy: -1541.943 where: short stacking energy: -718.186 Base-Backbone interact. energy: -3.340 local terms energy: -789.336498 where: bonds (distance) C4'-P energy: -160.363 bonds (distance) P-C4' energy: -155.105 flat angles C4'-P-C4' energy: -165.800 flat angles P-C4'-P energy: -115.769 tors. eta vs tors. theta energy: -192.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2149.761320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.761320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.761320 (E_RNA) where: Base-Base interactions energy: -1371.281 where: short stacking energy: -636.611 Base-Backbone interact. energy: -0.525 local terms energy: -777.956004 where: bonds (distance) C4'-P energy: -146.035 bonds (distance) P-C4' energy: -175.796 flat angles C4'-P-C4' energy: -156.591 flat angles P-C4'-P energy: -115.912 tors. eta vs tors. theta energy: -183.623 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: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1536.371982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.371982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.371982 (E_RNA) where: Base-Base interactions energy: -933.580 where: short stacking energy: -450.980 Base-Backbone interact. energy: -0.940 local terms energy: -601.852177 where: bonds (distance) C4'-P energy: -169.101 bonds (distance) P-C4' energy: -149.566 flat angles C4'-P-C4' energy: -132.317 flat angles P-C4'-P energy: -58.534 tors. eta vs tors. theta energy: -92.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1313.507408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.507408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.507408 (E_RNA) where: Base-Base interactions energy: -732.857 where: short stacking energy: -355.004 Base-Backbone interact. energy: 2.380 local terms energy: -583.030950 where: bonds (distance) C4'-P energy: -153.658 bonds (distance) P-C4' energy: -144.530 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -95.249 tors. eta vs tors. theta energy: -38.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -835.404522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.404522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.404522 (E_RNA) where: Base-Base interactions energy: -392.814 where: short stacking energy: -238.135 Base-Backbone interact. energy: 3.699 local terms energy: -446.289668 where: bonds (distance) C4'-P energy: -145.090 bonds (distance) P-C4' energy: -124.283 flat angles C4'-P-C4' energy: -105.754 flat angles P-C4'-P energy: -89.168 tors. eta vs tors. theta energy: 18.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3128.450170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.450170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.450170 (E_RNA) where: Base-Base interactions energy: -2119.132 where: short stacking energy: -978.862 Base-Backbone interact. energy: -2.965 local terms energy: -1006.352686 where: bonds (distance) C4'-P energy: -172.336 bonds (distance) P-C4' energy: -195.378 flat angles C4'-P-C4' energy: -217.881 flat angles P-C4'-P energy: -136.405 tors. eta vs tors. theta energy: -284.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2975.859804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.859804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.859804 (E_RNA) where: Base-Base interactions energy: -2015.777 where: short stacking energy: -902.227 Base-Backbone interact. energy: -0.070 local terms energy: -960.013436 where: bonds (distance) C4'-P energy: -180.455 bonds (distance) P-C4' energy: -184.964 flat angles C4'-P-C4' energy: -203.839 flat angles P-C4'-P energy: -116.924 tors. eta vs tors. theta energy: -273.833 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: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2864.674227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.674227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.674227 (E_RNA) where: Base-Base interactions energy: -1934.953 where: short stacking energy: -860.531 Base-Backbone interact. energy: -1.618 local terms energy: -928.103029 where: bonds (distance) C4'-P energy: -183.687 bonds (distance) P-C4' energy: -159.988 flat angles C4'-P-C4' energy: -192.565 flat angles P-C4'-P energy: -131.449 tors. eta vs tors. theta energy: -260.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2645.530466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.530466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.530466 (E_RNA) where: Base-Base interactions energy: -1779.211 where: short stacking energy: -754.181 Base-Backbone interact. energy: -5.777 local terms energy: -860.542381 where: bonds (distance) C4'-P energy: -181.396 bonds (distance) P-C4' energy: -168.830 flat angles C4'-P-C4' energy: -182.583 flat angles P-C4'-P energy: -115.549 tors. eta vs tors. theta energy: -212.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2541.989747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.989747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.989747 (E_RNA) where: Base-Base interactions energy: -1654.746 where: short stacking energy: -774.762 Base-Backbone interact. energy: 0.147 local terms energy: -887.390432 where: bonds (distance) C4'-P energy: -163.854 bonds (distance) P-C4' energy: -161.785 flat angles C4'-P-C4' energy: -184.208 flat angles P-C4'-P energy: -139.735 tors. eta vs tors. theta energy: -237.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2320.575353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.575353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.575353 (E_RNA) where: Base-Base interactions energy: -1509.308 where: short stacking energy: -711.739 Base-Backbone interact. energy: -1.664 local terms energy: -809.603281 where: bonds (distance) C4'-P energy: -157.988 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -180.342 flat angles P-C4'-P energy: -117.836 tors. eta vs tors. theta energy: -209.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2086.827846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.827846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.827846 (E_RNA) where: Base-Base interactions energy: -1358.149 where: short stacking energy: -639.331 Base-Backbone interact. energy: -3.161 local terms energy: -725.517047 where: bonds (distance) C4'-P energy: -161.979 bonds (distance) P-C4' energy: -161.571 flat angles C4'-P-C4' energy: -157.006 flat angles P-C4'-P energy: -90.793 tors. eta vs tors. theta energy: -154.168 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: 337 Temperature: 1.250000 Total energy: -1504.455051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.455051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.455051 (E_RNA) where: Base-Base interactions energy: -881.808 where: short stacking energy: -435.946 Base-Backbone interact. energy: -2.158 local terms energy: -620.489790 where: bonds (distance) C4'-P energy: -140.776 bonds (distance) P-C4' energy: -140.727 flat angles C4'-P-C4' energy: -160.163 flat angles P-C4'-P energy: -102.543 tors. eta vs tors. theta energy: -76.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1302.362020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.362020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.362020 (E_RNA) where: Base-Base interactions energy: -761.362 where: short stacking energy: -380.241 Base-Backbone interact. energy: -0.758 local terms energy: -540.242081 where: bonds (distance) C4'-P energy: -153.288 bonds (distance) P-C4' energy: -130.041 flat angles C4'-P-C4' energy: -144.092 flat angles P-C4'-P energy: -71.277 tors. eta vs tors. theta energy: -41.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -839.959990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.959990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.959990 (E_RNA) where: Base-Base interactions energy: -348.071 where: short stacking energy: -201.640 Base-Backbone interact. energy: 0.933 local terms energy: -492.822006 where: bonds (distance) C4'-P energy: -156.329 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -129.941 flat angles P-C4'-P energy: -56.824 tors. eta vs tors. theta energy: 12.109 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: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3146.199464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.199464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.199464 (E_RNA) where: Base-Base interactions energy: -2142.103 where: short stacking energy: -1003.384 Base-Backbone interact. energy: -2.451 local terms energy: -1001.645565 where: bonds (distance) C4'-P energy: -169.765 bonds (distance) P-C4' energy: -181.649 flat angles C4'-P-C4' energy: -211.099 flat angles P-C4'-P energy: -149.013 tors. eta vs tors. theta energy: -290.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2947.129560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.129560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.129560 (E_RNA) where: Base-Base interactions energy: -2003.643 where: short stacking energy: -886.092 Base-Backbone interact. energy: -4.138 local terms energy: -939.348107 where: bonds (distance) C4'-P energy: -160.993 bonds (distance) P-C4' energy: -190.055 flat angles C4'-P-C4' energy: -194.836 flat angles P-C4'-P energy: -138.412 tors. eta vs tors. theta energy: -255.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2859.703904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.703904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.703904 (E_RNA) where: Base-Base interactions energy: -1914.583 where: short stacking energy: -894.386 Base-Backbone interact. energy: -1.348 local terms energy: -943.772200 where: bonds (distance) C4'-P energy: -165.646 bonds (distance) P-C4' energy: -186.190 flat angles C4'-P-C4' energy: -201.377 flat angles P-C4'-P energy: -124.618 tors. eta vs tors. theta energy: -265.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2653.309465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.309465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.309465 (E_RNA) where: Base-Base interactions energy: -1772.824 where: short stacking energy: -778.163 Base-Backbone interact. energy: -0.803 local terms energy: -879.682166 where: bonds (distance) C4'-P energy: -171.853 bonds (distance) P-C4' energy: -180.969 flat angles C4'-P-C4' energy: -178.407 flat angles P-C4'-P energy: -133.167 tors. eta vs tors. theta energy: -215.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2529.639401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.639401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.639401 (E_RNA) where: Base-Base interactions energy: -1680.128 where: short stacking energy: -771.058 Base-Backbone interact. energy: -5.229 local terms energy: -844.282046 where: bonds (distance) C4'-P energy: -166.453 bonds (distance) P-C4' energy: -158.381 flat angles C4'-P-C4' energy: -185.305 flat angles P-C4'-P energy: -114.665 tors. eta vs tors. theta energy: -219.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2358.647076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.647076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.647076 (E_RNA) where: Base-Base interactions energy: -1552.931 where: short stacking energy: -751.911 Base-Backbone interact. energy: -2.945 local terms energy: -802.771567 where: bonds (distance) C4'-P energy: -156.391 bonds (distance) P-C4' energy: -157.917 flat angles C4'-P-C4' energy: -184.698 flat angles P-C4'-P energy: -95.921 tors. eta vs tors. theta energy: -207.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2083.869916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.869916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.869916 (E_RNA) where: Base-Base interactions energy: -1365.075 where: short stacking energy: -606.020 Base-Backbone interact. energy: -3.075 local terms energy: -715.720256 where: bonds (distance) C4'-P energy: -163.882 bonds (distance) P-C4' energy: -147.706 flat angles C4'-P-C4' energy: -176.675 flat angles P-C4'-P energy: -84.623 tors. eta vs tors. theta energy: -142.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1484.280174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.280174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.280174 (E_RNA) where: Base-Base interactions energy: -906.117 where: short stacking energy: -417.027 Base-Backbone interact. energy: 7.249 local terms energy: -585.412097 where: bonds (distance) C4'-P energy: -126.806 bonds (distance) P-C4' energy: -171.470 flat angles C4'-P-C4' energy: -154.356 flat angles P-C4'-P energy: -73.013 tors. eta vs tors. theta energy: -59.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1238.315901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.315901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.315901 (E_RNA) where: Base-Base interactions energy: -724.891 where: short stacking energy: -348.089 Base-Backbone interact. energy: -5.595 local terms energy: -507.829757 where: bonds (distance) C4'-P energy: -120.527 bonds (distance) P-C4' energy: -168.535 flat angles C4'-P-C4' energy: -130.473 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: -33.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -790.089227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.089227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.089227 (E_RNA) where: Base-Base interactions energy: -299.103 where: short stacking energy: -215.456 Base-Backbone interact. energy: -0.989 local terms energy: -489.996826 where: bonds (distance) C4'-P energy: -160.251 bonds (distance) P-C4' energy: -164.202 flat angles C4'-P-C4' energy: -126.098 flat angles P-C4'-P energy: -44.358 tors. eta vs tors. theta energy: 4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3134.910929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.910929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.910929 (E_RNA) where: Base-Base interactions energy: -2118.941 where: short stacking energy: -949.160 Base-Backbone interact. energy: -5.023 local terms energy: -1010.946482 where: bonds (distance) C4'-P energy: -188.753 bonds (distance) P-C4' energy: -187.996 flat angles C4'-P-C4' energy: -210.898 flat angles P-C4'-P energy: -147.347 tors. eta vs tors. theta energy: -275.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2978.321098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.321098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.321098 (E_RNA) where: Base-Base interactions energy: -2025.285 where: short stacking energy: -880.578 Base-Backbone interact. energy: -3.070 local terms energy: -949.966073 where: bonds (distance) C4'-P energy: -183.506 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -208.706 flat angles P-C4'-P energy: -117.193 tors. eta vs tors. theta energy: -263.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2883.004470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.004470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.004470 (E_RNA) where: Base-Base interactions energy: -1914.326 where: short stacking energy: -878.136 Base-Backbone interact. energy: -2.410 local terms energy: -966.268890 where: bonds (distance) C4'-P energy: -183.963 bonds (distance) P-C4' energy: -177.065 flat angles C4'-P-C4' energy: -212.898 flat angles P-C4'-P energy: -136.774 tors. eta vs tors. theta energy: -255.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2621.731617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.731617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.731617 (E_RNA) where: Base-Base interactions energy: -1751.947 where: short stacking energy: -804.221 Base-Backbone interact. energy: -1.189 local terms energy: -868.595348 where: bonds (distance) C4'-P energy: -177.938 bonds (distance) P-C4' energy: -160.557 flat angles C4'-P-C4' energy: -167.969 flat angles P-C4'-P energy: -132.553 tors. eta vs tors. theta energy: -229.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2611.658291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.658291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.658291 (E_RNA) where: Base-Base interactions energy: -1745.890 where: short stacking energy: -747.089 Base-Backbone interact. energy: -2.160 local terms energy: -863.607523 where: bonds (distance) C4'-P energy: -162.316 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -192.059 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -236.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2301.233154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.233154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.233154 (E_RNA) where: Base-Base interactions energy: -1492.598 where: short stacking energy: -690.099 Base-Backbone interact. energy: -4.317 local terms energy: -804.318230 where: bonds (distance) C4'-P energy: -155.290 bonds (distance) P-C4' energy: -177.775 flat angles C4'-P-C4' energy: -167.021 flat angles P-C4'-P energy: -104.152 tors. eta vs tors. theta energy: -200.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2107.224829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.224829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.224829 (E_RNA) where: Base-Base interactions energy: -1364.985 where: short stacking energy: -647.923 Base-Backbone interact. energy: -0.757 local terms energy: -741.482915 where: bonds (distance) C4'-P energy: -162.987 bonds (distance) P-C4' energy: -148.860 flat angles C4'-P-C4' energy: -171.975 flat angles P-C4'-P energy: -89.060 tors. eta vs tors. theta energy: -168.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1490.094919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.094919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.094919 (E_RNA) where: Base-Base interactions energy: -865.773 where: short stacking energy: -412.541 Base-Backbone interact. energy: 5.567 local terms energy: -629.889144 where: bonds (distance) C4'-P energy: -187.995 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -142.496 flat angles P-C4'-P energy: -89.523 tors. eta vs tors. theta energy: -51.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1273.720123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.720123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.720123 (E_RNA) where: Base-Base interactions energy: -702.178 where: short stacking energy: -387.476 Base-Backbone interact. energy: 11.285 local terms energy: -582.827584 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -153.366 flat angles C4'-P-C4' energy: -158.856 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -64.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -761.325412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.325412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.325412 (E_RNA) where: Base-Base interactions energy: -330.145 where: short stacking energy: -224.918 Base-Backbone interact. energy: 8.908 local terms energy: -440.087734 where: bonds (distance) C4'-P energy: -145.594 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -120.846 flat angles P-C4'-P energy: -55.531 tors. eta vs tors. theta energy: 29.220 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: 340 Temperature: 0.900000 Total energy: -3154.414907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.414907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.414907 (E_RNA) where: Base-Base interactions energy: -2124.133 where: short stacking energy: -966.949 Base-Backbone interact. energy: -4.523 local terms energy: -1025.758119 where: bonds (distance) C4'-P energy: -197.606 bonds (distance) P-C4' energy: -188.165 flat angles C4'-P-C4' energy: -214.669 flat angles P-C4'-P energy: -146.224 tors. eta vs tors. theta energy: -279.094 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: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3003.606847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.606847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.606847 (E_RNA) where: Base-Base interactions energy: -2048.300 where: short stacking energy: -916.826 Base-Backbone interact. energy: -4.130 local terms energy: -951.177530 where: bonds (distance) C4'-P energy: -156.678 bonds (distance) P-C4' energy: -174.185 flat angles C4'-P-C4' energy: -204.610 flat angles P-C4'-P energy: -146.698 tors. eta vs tors. theta energy: -269.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2852.506966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.506966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.506966 (E_RNA) where: Base-Base interactions energy: -1944.905 where: short stacking energy: -875.668 Base-Backbone interact. energy: -1.137 local terms energy: -906.465630 where: bonds (distance) C4'-P energy: -180.412 bonds (distance) P-C4' energy: -175.724 flat angles C4'-P-C4' energy: -182.427 flat angles P-C4'-P energy: -120.243 tors. eta vs tors. theta energy: -247.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2674.033029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.033029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.033029 (E_RNA) where: Base-Base interactions energy: -1807.887 where: short stacking energy: -816.930 Base-Backbone interact. energy: -0.675 local terms energy: -865.471584 where: bonds (distance) C4'-P energy: -165.029 bonds (distance) P-C4' energy: -148.743 flat angles C4'-P-C4' energy: -194.536 flat angles P-C4'-P energy: -130.829 tors. eta vs tors. theta energy: -226.335 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: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2621.780892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.780892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.780892 (E_RNA) where: Base-Base interactions energy: -1769.266 where: short stacking energy: -817.991 Base-Backbone interact. energy: -5.875 local terms energy: -846.639302 where: bonds (distance) C4'-P energy: -162.545 bonds (distance) P-C4' energy: -150.412 flat angles C4'-P-C4' energy: -209.774 flat angles P-C4'-P energy: -98.114 tors. eta vs tors. theta energy: -225.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2342.003889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.003889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.003889 (E_RNA) where: Base-Base interactions energy: -1497.968 where: short stacking energy: -707.883 Base-Backbone interact. energy: -1.965 local terms energy: -842.071273 where: bonds (distance) C4'-P energy: -161.469 bonds (distance) P-C4' energy: -191.754 flat angles C4'-P-C4' energy: -175.933 flat angles P-C4'-P energy: -119.414 tors. eta vs tors. theta energy: -193.502 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: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2131.198445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.198445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.198445 (E_RNA) where: Base-Base interactions energy: -1370.781 where: short stacking energy: -631.648 Base-Backbone interact. energy: -0.563 local terms energy: -759.854624 where: bonds (distance) C4'-P energy: -154.262 bonds (distance) P-C4' energy: -161.253 flat angles C4'-P-C4' energy: -172.656 flat angles P-C4'-P energy: -127.549 tors. eta vs tors. theta energy: -144.135 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: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1457.059050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.059050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.059050 (E_RNA) where: Base-Base interactions energy: -850.740 where: short stacking energy: -447.927 Base-Backbone interact. energy: 1.387 local terms energy: -607.705401 where: bonds (distance) C4'-P energy: -136.717 bonds (distance) P-C4' energy: -159.031 flat angles C4'-P-C4' energy: -157.720 flat angles P-C4'-P energy: -87.879 tors. eta vs tors. theta energy: -66.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1235.896646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.896646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.896646 (E_RNA) where: Base-Base interactions energy: -679.238 where: short stacking energy: -377.878 Base-Backbone interact. energy: 7.310 local terms energy: -563.968729 where: bonds (distance) C4'-P energy: -153.433 bonds (distance) P-C4' energy: -135.958 flat angles C4'-P-C4' energy: -142.274 flat angles P-C4'-P energy: -80.922 tors. eta vs tors. theta energy: -51.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -766.161785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.161785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.161785 (E_RNA) where: Base-Base interactions energy: -312.640 where: short stacking energy: -212.481 Base-Backbone interact. energy: -4.479 local terms energy: -449.043101 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -148.949 flat angles C4'-P-C4' energy: -122.174 flat angles P-C4'-P energy: -70.272 tors. eta vs tors. theta energy: 32.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3127.561872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.561872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.561872 (E_RNA) where: Base-Base interactions energy: -2139.883 where: short stacking energy: -944.332 Base-Backbone interact. energy: -5.247 local terms energy: -982.431869 where: bonds (distance) C4'-P energy: -191.697 bonds (distance) P-C4' energy: -166.670 flat angles C4'-P-C4' energy: -210.629 flat angles P-C4'-P energy: -149.396 tors. eta vs tors. theta energy: -264.040 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: 341 Temperature: 0.950000 Total energy: -2990.808293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.808293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.808293 (E_RNA) where: Base-Base interactions energy: -2037.097 where: short stacking energy: -919.503 Base-Backbone interact. energy: -1.546 local terms energy: -952.164356 where: bonds (distance) C4'-P energy: -178.566 bonds (distance) P-C4' energy: -179.282 flat angles C4'-P-C4' energy: -202.893 flat angles P-C4'-P energy: -122.986 tors. eta vs tors. theta energy: -268.438 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2859.887682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.887682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.887682 (E_RNA) where: Base-Base interactions energy: -1914.528 where: short stacking energy: -885.407 Base-Backbone interact. energy: -2.224 local terms energy: -943.135995 where: bonds (distance) C4'-P energy: -173.465 bonds (distance) P-C4' energy: -193.451 flat angles C4'-P-C4' energy: -196.275 flat angles P-C4'-P energy: -134.600 tors. eta vs tors. theta energy: -245.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2651.165477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.165477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.165477 (E_RNA) where: Base-Base interactions energy: -1770.553 where: short stacking energy: -795.063 Base-Backbone interact. energy: -5.395 local terms energy: -875.217965 where: bonds (distance) C4'-P energy: -157.155 bonds (distance) P-C4' energy: -150.958 flat angles C4'-P-C4' energy: -193.977 flat angles P-C4'-P energy: -135.952 tors. eta vs tors. theta energy: -237.175 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: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2566.822327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.822327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.822327 (E_RNA) where: Base-Base interactions energy: -1758.969 where: short stacking energy: -819.226 Base-Backbone interact. energy: -1.099 local terms energy: -806.754736 where: bonds (distance) C4'-P energy: -152.526 bonds (distance) P-C4' energy: -154.412 flat angles C4'-P-C4' energy: -163.737 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -227.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2308.143719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.143719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.143719 (E_RNA) where: Base-Base interactions energy: -1478.355 where: short stacking energy: -678.960 Base-Backbone interact. energy: -0.605 local terms energy: -829.183422 where: bonds (distance) C4'-P energy: -170.270 bonds (distance) P-C4' energy: -161.716 flat angles C4'-P-C4' energy: -187.708 flat angles P-C4'-P energy: -111.827 tors. eta vs tors. theta energy: -197.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2146.192854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.192854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.192854 (E_RNA) where: Base-Base interactions energy: -1411.681 where: short stacking energy: -656.036 Base-Backbone interact. energy: -5.327 local terms energy: -729.185439 where: bonds (distance) C4'-P energy: -135.811 bonds (distance) P-C4' energy: -154.056 flat angles C4'-P-C4' energy: -164.924 flat angles P-C4'-P energy: -114.354 tors. eta vs tors. theta energy: -160.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1496.851698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.851698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.851698 (E_RNA) where: Base-Base interactions energy: -874.946 where: short stacking energy: -426.560 Base-Backbone interact. energy: 2.939 local terms energy: -624.844142 where: bonds (distance) C4'-P energy: -154.739 bonds (distance) P-C4' energy: -167.927 flat angles C4'-P-C4' energy: -137.289 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -77.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1141.202262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.202262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.202262 (E_RNA) where: Base-Base interactions energy: -622.664 where: short stacking energy: -332.589 Base-Backbone interact. energy: -1.239 local terms energy: -517.298808 where: bonds (distance) C4'-P energy: -146.227 bonds (distance) P-C4' energy: -158.615 flat angles C4'-P-C4' energy: -126.135 flat angles P-C4'-P energy: -69.190 tors. eta vs tors. theta energy: -17.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -807.276206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.276206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.276206 (E_RNA) where: Base-Base interactions energy: -337.115 where: short stacking energy: -256.229 Base-Backbone interact. energy: 8.213 local terms energy: -478.374983 where: bonds (distance) C4'-P energy: -149.175 bonds (distance) P-C4' energy: -152.593 flat angles C4'-P-C4' energy: -115.280 flat angles P-C4'-P energy: -72.941 tors. eta vs tors. theta energy: 11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3139.088236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.088236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.088236 (E_RNA) where: Base-Base interactions energy: -2144.501 where: short stacking energy: -946.727 Base-Backbone interact. energy: -4.145 local terms energy: -990.441956 where: bonds (distance) C4'-P energy: -162.697 bonds (distance) P-C4' energy: -188.819 flat angles C4'-P-C4' energy: -213.536 flat angles P-C4'-P energy: -142.636 tors. eta vs tors. theta energy: -282.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2970.782612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.782612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.782612 (E_RNA) where: Base-Base interactions energy: -1999.028 where: short stacking energy: -897.482 Base-Backbone interact. energy: -1.690 local terms energy: -970.064634 where: bonds (distance) C4'-P energy: -180.621 bonds (distance) P-C4' energy: -168.972 flat angles C4'-P-C4' energy: -208.712 flat angles P-C4'-P energy: -142.416 tors. eta vs tors. theta energy: -269.344 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: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2828.798695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.798695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.798695 (E_RNA) where: Base-Base interactions energy: -1908.381 where: short stacking energy: -854.812 Base-Backbone interact. energy: 3.634 local terms energy: -924.051673 where: bonds (distance) C4'-P energy: -160.108 bonds (distance) P-C4' energy: -182.268 flat angles C4'-P-C4' energy: -198.847 flat angles P-C4'-P energy: -133.017 tors. eta vs tors. theta energy: -249.811 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: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2625.123489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.123489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.123489 (E_RNA) where: Base-Base interactions energy: -1747.868 where: short stacking energy: -810.219 Base-Backbone interact. energy: -1.210 local terms energy: -876.045686 where: bonds (distance) C4'-P energy: -150.601 bonds (distance) P-C4' energy: -176.810 flat angles C4'-P-C4' energy: -183.669 flat angles P-C4'-P energy: -113.464 tors. eta vs tors. theta energy: -251.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2557.853222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.853222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.853222 (E_RNA) where: Base-Base interactions energy: -1718.567 where: short stacking energy: -799.012 Base-Backbone interact. energy: 0.150 local terms energy: -839.436367 where: bonds (distance) C4'-P energy: -144.132 bonds (distance) P-C4' energy: -157.946 flat angles C4'-P-C4' energy: -207.042 flat angles P-C4'-P energy: -114.890 tors. eta vs tors. theta energy: -215.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2268.806552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.806552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.806552 (E_RNA) where: Base-Base interactions energy: -1498.929 where: short stacking energy: -675.866 Base-Backbone interact. energy: -1.334 local terms energy: -768.543505 where: bonds (distance) C4'-P energy: -141.794 bonds (distance) P-C4' energy: -154.630 flat angles C4'-P-C4' energy: -171.181 flat angles P-C4'-P energy: -122.822 tors. eta vs tors. theta energy: -178.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2125.808936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.808936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.808936 (E_RNA) where: Base-Base interactions energy: -1389.781 where: short stacking energy: -650.641 Base-Backbone interact. energy: 0.786 local terms energy: -736.813483 where: bonds (distance) C4'-P energy: -150.173 bonds (distance) P-C4' energy: -160.547 flat angles C4'-P-C4' energy: -159.128 flat angles P-C4'-P energy: -108.310 tors. eta vs tors. theta energy: -158.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1658.610140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.610140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.610140 (E_RNA) where: Base-Base interactions energy: -1016.111 where: short stacking energy: -489.126 Base-Backbone interact. energy: 0.613 local terms energy: -643.112422 where: bonds (distance) C4'-P energy: -157.624 bonds (distance) P-C4' energy: -135.294 flat angles C4'-P-C4' energy: -135.953 flat angles P-C4'-P energy: -99.317 tors. eta vs tors. theta energy: -114.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1102.586896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.586896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.586896 (E_RNA) where: Base-Base interactions energy: -586.975 where: short stacking energy: -322.842 Base-Backbone interact. energy: -2.085 local terms energy: -513.526788 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -138.459 flat angles C4'-P-C4' energy: -148.733 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -8.239 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: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -883.864345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.864345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.864345 (E_RNA) where: Base-Base interactions energy: -446.886 where: short stacking energy: -213.753 Base-Backbone interact. energy: 2.273 local terms energy: -439.251489 where: bonds (distance) C4'-P energy: -132.653 bonds (distance) P-C4' energy: -161.885 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -79.098 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: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3151.745955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.745955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.745955 (E_RNA) where: Base-Base interactions energy: -2161.982 where: short stacking energy: -965.909 Base-Backbone interact. energy: -4.249 local terms energy: -985.515624 where: bonds (distance) C4'-P energy: -192.433 bonds (distance) P-C4' energy: -162.144 flat angles C4'-P-C4' energy: -214.828 flat angles P-C4'-P energy: -134.069 tors. eta vs tors. theta energy: -282.042 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: 343 Temperature: 0.950000 Total energy: -3014.351015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.351015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.351015 (E_RNA) where: Base-Base interactions energy: -2036.885 where: short stacking energy: -921.997 Base-Backbone interact. energy: -1.127 local terms energy: -976.339044 where: bonds (distance) C4'-P energy: -179.483 bonds (distance) P-C4' energy: -200.841 flat angles C4'-P-C4' energy: -197.178 flat angles P-C4'-P energy: -131.822 tors. eta vs tors. theta energy: -267.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2823.503336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.503336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.503336 (E_RNA) where: Base-Base interactions energy: -1892.809 where: short stacking energy: -861.077 Base-Backbone interact. energy: -0.795 local terms energy: -929.899015 where: bonds (distance) C4'-P energy: -172.219 bonds (distance) P-C4' energy: -183.393 flat angles C4'-P-C4' energy: -200.802 flat angles P-C4'-P energy: -132.568 tors. eta vs tors. theta energy: -240.917 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: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2642.546080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.546080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.546080 (E_RNA) where: Base-Base interactions energy: -1750.649 where: short stacking energy: -789.304 Base-Backbone interact. energy: -1.183 local terms energy: -890.714628 where: bonds (distance) C4'-P energy: -155.113 bonds (distance) P-C4' energy: -169.121 flat angles C4'-P-C4' energy: -188.230 flat angles P-C4'-P energy: -140.617 tors. eta vs tors. theta energy: -237.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2546.352085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.352085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.352085 (E_RNA) where: Base-Base interactions energy: -1708.162 where: short stacking energy: -765.680 Base-Backbone interact. energy: 0.609 local terms energy: -838.798696 where: bonds (distance) C4'-P energy: -170.372 bonds (distance) P-C4' energy: -176.129 flat angles C4'-P-C4' energy: -174.040 flat angles P-C4'-P energy: -109.270 tors. eta vs tors. theta energy: -208.988 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2345.314341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.314341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.314341 (E_RNA) where: Base-Base interactions energy: -1526.018 where: short stacking energy: -715.016 Base-Backbone interact. energy: -0.853 local terms energy: -818.443815 where: bonds (distance) C4'-P energy: -148.613 bonds (distance) P-C4' energy: -161.847 flat angles C4'-P-C4' energy: -194.059 flat angles P-C4'-P energy: -116.596 tors. eta vs tors. theta energy: -197.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2138.938478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.938478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.938478 (E_RNA) where: Base-Base interactions energy: -1401.257 where: short stacking energy: -622.279 Base-Backbone interact. energy: -1.586 local terms energy: -736.095078 where: bonds (distance) C4'-P energy: -138.868 bonds (distance) P-C4' energy: -171.277 flat angles C4'-P-C4' energy: -164.243 flat angles P-C4'-P energy: -104.075 tors. eta vs tors. theta energy: -157.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1585.945517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.945517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.945517 (E_RNA) where: Base-Base interactions energy: -966.529 where: short stacking energy: -437.277 Base-Backbone interact. energy: 6.675 local terms energy: -626.091698 where: bonds (distance) C4'-P energy: -172.932 bonds (distance) P-C4' energy: -137.603 flat angles C4'-P-C4' energy: -144.252 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -85.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1120.082073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.082073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.082073 (E_RNA) where: Base-Base interactions energy: -618.398 where: short stacking energy: -334.663 Base-Backbone interact. energy: -1.536 local terms energy: -500.148416 where: bonds (distance) C4'-P energy: -143.374 bonds (distance) P-C4' energy: -132.073 flat angles C4'-P-C4' energy: -135.022 flat angles P-C4'-P energy: -54.692 tors. eta vs tors. theta energy: -34.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -901.216411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.216411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.216411 (E_RNA) where: Base-Base interactions energy: -413.411 where: short stacking energy: -236.107 Base-Backbone interact. energy: 0.591 local terms energy: -488.396576 where: bonds (distance) C4'-P energy: -143.165 bonds (distance) P-C4' energy: -154.421 flat angles C4'-P-C4' energy: -143.508 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: 9.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3161.269877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.269877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.269877 (E_RNA) where: Base-Base interactions energy: -2118.969 where: short stacking energy: -970.885 Base-Backbone interact. energy: -4.471 local terms energy: -1037.829687 where: bonds (distance) C4'-P energy: -199.181 bonds (distance) P-C4' energy: -198.201 flat angles C4'-P-C4' energy: -225.635 flat angles P-C4'-P energy: -137.117 tors. eta vs tors. theta energy: -277.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2999.582939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.582939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.582939 (E_RNA) where: Base-Base interactions energy: -2036.307 where: short stacking energy: -872.613 Base-Backbone interact. energy: -6.734 local terms energy: -956.541966 where: bonds (distance) C4'-P energy: -180.734 bonds (distance) P-C4' energy: -178.052 flat angles C4'-P-C4' energy: -202.432 flat angles P-C4'-P energy: -135.021 tors. eta vs tors. theta energy: -260.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2862.830994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.830994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.830994 (E_RNA) where: Base-Base interactions energy: -1932.131 where: short stacking energy: -879.893 Base-Backbone interact. energy: -1.310 local terms energy: -929.390106 where: bonds (distance) C4'-P energy: -170.279 bonds (distance) P-C4' energy: -170.842 flat angles C4'-P-C4' energy: -201.621 flat angles P-C4'-P energy: -132.850 tors. eta vs tors. theta energy: -253.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2673.486889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.486889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.486889 (E_RNA) where: Base-Base interactions energy: -1779.192 where: short stacking energy: -810.998 Base-Backbone interact. energy: -5.024 local terms energy: -889.271025 where: bonds (distance) C4'-P energy: -156.067 bonds (distance) P-C4' energy: -173.509 flat angles C4'-P-C4' energy: -202.106 flat angles P-C4'-P energy: -116.153 tors. eta vs tors. theta energy: -241.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2535.160195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.160195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.160195 (E_RNA) where: Base-Base interactions energy: -1691.520 where: short stacking energy: -762.420 Base-Backbone interact. energy: 1.944 local terms energy: -845.583350 where: bonds (distance) C4'-P energy: -153.015 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -187.212 flat angles P-C4'-P energy: -126.524 tors. eta vs tors. theta energy: -207.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2282.726909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.726909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.726909 (E_RNA) where: Base-Base interactions energy: -1506.634 where: short stacking energy: -712.216 Base-Backbone interact. energy: 0.381 local terms energy: -776.473023 where: bonds (distance) C4'-P energy: -148.043 bonds (distance) P-C4' energy: -151.725 flat angles C4'-P-C4' energy: -178.557 flat angles P-C4'-P energy: -103.795 tors. eta vs tors. theta energy: -194.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2143.799212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.799212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.799212 (E_RNA) where: Base-Base interactions energy: -1396.128 where: short stacking energy: -652.600 Base-Backbone interact. energy: -3.256 local terms energy: -744.415595 where: bonds (distance) C4'-P energy: -124.848 bonds (distance) P-C4' energy: -166.137 flat angles C4'-P-C4' energy: -175.575 flat angles P-C4'-P energy: -112.532 tors. eta vs tors. theta energy: -165.323 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: 344 Temperature: 1.250000 Total energy: -1542.789788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.789788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.789788 (E_RNA) where: Base-Base interactions energy: -945.103 where: short stacking energy: -477.543 Base-Backbone interact. energy: 9.319 local terms energy: -607.005507 where: bonds (distance) C4'-P energy: -143.230 bonds (distance) P-C4' energy: -137.700 flat angles C4'-P-C4' energy: -141.766 flat angles P-C4'-P energy: -101.729 tors. eta vs tors. theta energy: -82.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1221.099205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.099205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.099205 (E_RNA) where: Base-Base interactions energy: -664.483 where: short stacking energy: -341.380 Base-Backbone interact. energy: -1.032 local terms energy: -555.584753 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -183.062 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -21.125 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: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -852.323068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.323068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.323068 (E_RNA) where: Base-Base interactions energy: -396.149 where: short stacking energy: -239.381 Base-Backbone interact. energy: -3.571 local terms energy: -452.602990 where: bonds (distance) C4'-P energy: -141.207 bonds (distance) P-C4' energy: -141.617 flat angles C4'-P-C4' energy: -114.585 flat angles P-C4'-P energy: -69.014 tors. eta vs tors. theta energy: 13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3157.335914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.335914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.335914 (E_RNA) where: Base-Base interactions energy: -2134.322 where: short stacking energy: -949.705 Base-Backbone interact. energy: -1.780 local terms energy: -1021.234228 where: bonds (distance) C4'-P energy: -180.812 bonds (distance) P-C4' energy: -196.176 flat angles C4'-P-C4' energy: -225.360 flat angles P-C4'-P energy: -148.027 tors. eta vs tors. theta energy: -270.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3011.484275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.484275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.484275 (E_RNA) where: Base-Base interactions energy: -2034.332 where: short stacking energy: -929.042 Base-Backbone interact. energy: -4.765 local terms energy: -972.387976 where: bonds (distance) C4'-P energy: -179.106 bonds (distance) P-C4' energy: -185.560 flat angles C4'-P-C4' energy: -201.944 flat angles P-C4'-P energy: -140.178 tors. eta vs tors. theta energy: -265.599 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: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2833.107517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.107517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.107517 (E_RNA) where: Base-Base interactions energy: -1889.150 where: short stacking energy: -848.277 Base-Backbone interact. energy: -4.046 local terms energy: -939.911834 where: bonds (distance) C4'-P energy: -172.703 bonds (distance) P-C4' energy: -181.243 flat angles C4'-P-C4' energy: -219.160 flat angles P-C4'-P energy: -120.696 tors. eta vs tors. theta energy: -246.109 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: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2644.246796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.246796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.246796 (E_RNA) where: Base-Base interactions energy: -1774.262 where: short stacking energy: -791.116 Base-Backbone interact. energy: -1.629 local terms energy: -868.355399 where: bonds (distance) C4'-P energy: -174.541 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -188.331 flat angles P-C4'-P energy: -129.337 tors. eta vs tors. theta energy: -229.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2599.427529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.427529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.427529 (E_RNA) where: Base-Base interactions energy: -1774.936 where: short stacking energy: -807.362 Base-Backbone interact. energy: 8.814 local terms energy: -833.305554 where: bonds (distance) C4'-P energy: -150.586 bonds (distance) P-C4' energy: -167.200 flat angles C4'-P-C4' energy: -167.719 flat angles P-C4'-P energy: -116.039 tors. eta vs tors. theta energy: -231.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2252.263065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.263065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.263065 (E_RNA) where: Base-Base interactions energy: -1462.011 where: short stacking energy: -668.540 Base-Backbone interact. energy: -0.197 local terms energy: -790.055400 where: bonds (distance) C4'-P energy: -143.054 bonds (distance) P-C4' energy: -159.938 flat angles C4'-P-C4' energy: -182.840 flat angles P-C4'-P energy: -120.387 tors. eta vs tors. theta energy: -183.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2192.451454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.451454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.451454 (E_RNA) where: Base-Base interactions energy: -1435.061 where: short stacking energy: -664.410 Base-Backbone interact. energy: 3.587 local terms energy: -760.977442 where: bonds (distance) C4'-P energy: -144.426 bonds (distance) P-C4' energy: -184.934 flat angles C4'-P-C4' energy: -166.987 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -172.508 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: 345 Temperature: 1.250000 Total energy: -1492.569063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.569063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.569063 (E_RNA) where: Base-Base interactions energy: -908.045 where: short stacking energy: -462.891 Base-Backbone interact. energy: 3.114 local terms energy: -587.638238 where: bonds (distance) C4'-P energy: -142.104 bonds (distance) P-C4' energy: -155.649 flat angles C4'-P-C4' energy: -115.304 flat angles P-C4'-P energy: -101.281 tors. eta vs tors. theta energy: -73.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1293.126658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.126658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.126658 (E_RNA) where: Base-Base interactions energy: -718.431 where: short stacking energy: -346.222 Base-Backbone interact. energy: 2.449 local terms energy: -577.144458 where: bonds (distance) C4'-P energy: -138.932 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -148.198 flat angles P-C4'-P energy: -101.949 tors. eta vs tors. theta energy: -42.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -890.882782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.882782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.882782 (E_RNA) where: Base-Base interactions energy: -423.330 where: short stacking energy: -273.531 Base-Backbone interact. energy: 7.278 local terms energy: -474.830754 where: bonds (distance) C4'-P energy: -140.163 bonds (distance) P-C4' energy: -137.832 flat angles C4'-P-C4' energy: -118.375 flat angles P-C4'-P energy: -78.899 tors. eta vs tors. theta energy: 0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3141.156248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.156248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.156248 (E_RNA) where: Base-Base interactions energy: -2120.933 where: short stacking energy: -985.134 Base-Backbone interact. energy: -1.770 local terms energy: -1018.453329 where: bonds (distance) C4'-P energy: -183.215 bonds (distance) P-C4' energy: -182.934 flat angles C4'-P-C4' energy: -223.076 flat angles P-C4'-P energy: -146.149 tors. eta vs tors. theta energy: -283.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3039.301512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.301512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.301512 (E_RNA) where: Base-Base interactions energy: -2050.012 where: short stacking energy: -931.802 Base-Backbone interact. energy: -4.676 local terms energy: -984.613993 where: bonds (distance) C4'-P energy: -207.598 bonds (distance) P-C4' energy: -172.209 flat angles C4'-P-C4' energy: -199.749 flat angles P-C4'-P energy: -129.415 tors. eta vs tors. theta energy: -275.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2843.831432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.831432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.831432 (E_RNA) where: Base-Base interactions energy: -1923.716 where: short stacking energy: -862.895 Base-Backbone interact. energy: -1.481 local terms energy: -918.634577 where: bonds (distance) C4'-P energy: -174.781 bonds (distance) P-C4' energy: -167.613 flat angles C4'-P-C4' energy: -193.095 flat angles P-C4'-P energy: -127.071 tors. eta vs tors. theta energy: -256.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2622.178202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.178202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.178202 (E_RNA) where: Base-Base interactions energy: -1723.045 where: short stacking energy: -808.559 Base-Backbone interact. energy: -3.486 local terms energy: -895.647271 where: bonds (distance) C4'-P energy: -153.888 bonds (distance) P-C4' energy: -190.069 flat angles C4'-P-C4' energy: -192.437 flat angles P-C4'-P energy: -116.591 tors. eta vs tors. theta energy: -242.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2556.747301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.747301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.747301 (E_RNA) where: Base-Base interactions energy: -1712.113 where: short stacking energy: -737.569 Base-Backbone interact. energy: -1.639 local terms energy: -842.994574 where: bonds (distance) C4'-P energy: -174.302 bonds (distance) P-C4' energy: -171.027 flat angles C4'-P-C4' energy: -185.825 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -203.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2245.279772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.279772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.279772 (E_RNA) where: Base-Base interactions energy: -1444.215 where: short stacking energy: -663.356 Base-Backbone interact. energy: 4.603 local terms energy: -805.668148 where: bonds (distance) C4'-P energy: -147.712 bonds (distance) P-C4' energy: -183.631 flat angles C4'-P-C4' energy: -176.670 flat angles P-C4'-P energy: -104.801 tors. eta vs tors. theta energy: -192.854 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: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2054.835628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.835628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.835628 (E_RNA) where: Base-Base interactions energy: -1336.751 where: short stacking energy: -611.368 Base-Backbone interact. energy: -2.495 local terms energy: -715.590218 where: bonds (distance) C4'-P energy: -142.780 bonds (distance) P-C4' energy: -153.522 flat angles C4'-P-C4' energy: -165.676 flat angles P-C4'-P energy: -103.230 tors. eta vs tors. theta energy: -150.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1620.482328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.482328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.482328 (E_RNA) where: Base-Base interactions energy: -975.845 where: short stacking energy: -496.947 Base-Backbone interact. energy: -1.292 local terms energy: -643.345778 where: bonds (distance) C4'-P energy: -127.367 bonds (distance) P-C4' energy: -146.165 flat angles C4'-P-C4' energy: -162.861 flat angles P-C4'-P energy: -96.731 tors. eta vs tors. theta energy: -110.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1309.631460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.631460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.631460 (E_RNA) where: Base-Base interactions energy: -775.415 where: short stacking energy: -388.071 Base-Backbone interact. energy: -0.733 local terms energy: -533.484013 where: bonds (distance) C4'-P energy: -120.719 bonds (distance) P-C4' energy: -144.802 flat angles C4'-P-C4' energy: -143.774 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -47.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -815.359243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.359243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.359243 (E_RNA) where: Base-Base interactions energy: -380.143 where: short stacking energy: -261.136 Base-Backbone interact. energy: 1.554 local terms energy: -436.770437 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -124.311 flat angles C4'-P-C4' energy: -125.285 flat angles P-C4'-P energy: -68.999 tors. eta vs tors. theta energy: 17.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3180.470105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.470105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.470105 (E_RNA) where: Base-Base interactions energy: -2169.585 where: short stacking energy: -996.259 Base-Backbone interact. energy: -3.351 local terms energy: -1007.534316 where: bonds (distance) C4'-P energy: -181.460 bonds (distance) P-C4' energy: -191.974 flat angles C4'-P-C4' energy: -200.574 flat angles P-C4'-P energy: -147.918 tors. eta vs tors. theta energy: -285.608 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2944.857203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.857203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.857203 (E_RNA) where: Base-Base interactions energy: -1984.670 where: short stacking energy: -927.819 Base-Backbone interact. energy: -0.634 local terms energy: -959.553806 where: bonds (distance) C4'-P energy: -176.707 bonds (distance) P-C4' energy: -183.517 flat angles C4'-P-C4' energy: -192.939 flat angles P-C4'-P energy: -134.536 tors. eta vs tors. theta energy: -271.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2887.110223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.110223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.110223 (E_RNA) where: Base-Base interactions energy: -1961.759 where: short stacking energy: -874.893 Base-Backbone interact. energy: -1.529 local terms energy: -923.822850 where: bonds (distance) C4'-P energy: -161.582 bonds (distance) P-C4' energy: -167.581 flat angles C4'-P-C4' energy: -199.479 flat angles P-C4'-P energy: -123.964 tors. eta vs tors. theta energy: -271.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2653.481426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.481426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.481426 (E_RNA) where: Base-Base interactions energy: -1797.534 where: short stacking energy: -800.731 Base-Backbone interact. energy: 1.583 local terms energy: -857.529912 where: bonds (distance) C4'-P energy: -168.676 bonds (distance) P-C4' energy: -152.471 flat angles C4'-P-C4' energy: -202.457 flat angles P-C4'-P energy: -119.369 tors. eta vs tors. theta energy: -214.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2541.185904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.185904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.185904 (E_RNA) where: Base-Base interactions energy: -1676.885 where: short stacking energy: -779.208 Base-Backbone interact. energy: 0.154 local terms energy: -864.455006 where: bonds (distance) C4'-P energy: -162.323 bonds (distance) P-C4' energy: -170.365 flat angles C4'-P-C4' energy: -187.060 flat angles P-C4'-P energy: -118.210 tors. eta vs tors. theta energy: -226.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2290.875552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.875552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.875552 (E_RNA) where: Base-Base interactions energy: -1494.737 where: short stacking energy: -715.482 Base-Backbone interact. energy: -0.483 local terms energy: -795.654889 where: bonds (distance) C4'-P energy: -165.925 bonds (distance) P-C4' energy: -159.637 flat angles C4'-P-C4' energy: -182.430 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -180.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2069.351749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.351749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.351749 (E_RNA) where: Base-Base interactions energy: -1394.230 where: short stacking energy: -634.057 Base-Backbone interact. energy: -1.516 local terms energy: -673.606293 where: bonds (distance) C4'-P energy: -135.572 bonds (distance) P-C4' energy: -142.548 flat angles C4'-P-C4' energy: -146.820 flat angles P-C4'-P energy: -97.436 tors. eta vs tors. theta energy: -151.231 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: 8, replica: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1582.536448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.536448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.536448 (E_RNA) where: Base-Base interactions energy: -969.756 where: short stacking energy: -480.527 Base-Backbone interact. energy: -1.293 local terms energy: -611.487865 where: bonds (distance) C4'-P energy: -171.531 bonds (distance) P-C4' energy: -128.777 flat angles C4'-P-C4' energy: -131.273 flat angles P-C4'-P energy: -84.120 tors. eta vs tors. theta energy: -95.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1226.243269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.243269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.243269 (E_RNA) where: Base-Base interactions energy: -636.593 where: short stacking energy: -340.901 Base-Backbone interact. energy: 3.186 local terms energy: -592.836683 where: bonds (distance) C4'-P energy: -158.457 bonds (distance) P-C4' energy: -137.032 flat angles C4'-P-C4' energy: -158.952 flat angles P-C4'-P energy: -87.412 tors. eta vs tors. theta energy: -50.984 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: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -788.556584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.556584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.556584 (E_RNA) where: Base-Base interactions energy: -332.729 where: short stacking energy: -218.827 Base-Backbone interact. energy: 4.555 local terms energy: -460.383145 where: bonds (distance) C4'-P energy: -126.053 bonds (distance) P-C4' energy: -162.908 flat angles C4'-P-C4' energy: -122.154 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: 12.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3167.684419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.684419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.684419 (E_RNA) where: Base-Base interactions energy: -2180.482 where: short stacking energy: -935.977 Base-Backbone interact. energy: -6.502 local terms energy: -980.700454 where: bonds (distance) C4'-P energy: -179.764 bonds (distance) P-C4' energy: -195.228 flat angles C4'-P-C4' energy: -200.555 flat angles P-C4'-P energy: -133.599 tors. eta vs tors. theta energy: -271.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2954.659021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.659021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.659021 (E_RNA) where: Base-Base interactions energy: -1999.456 where: short stacking energy: -912.712 Base-Backbone interact. energy: 2.815 local terms energy: -958.018506 where: bonds (distance) C4'-P energy: -177.635 bonds (distance) P-C4' energy: -177.476 flat angles C4'-P-C4' energy: -197.744 flat angles P-C4'-P energy: -134.853 tors. eta vs tors. theta energy: -270.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2860.816601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.816601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.816601 (E_RNA) where: Base-Base interactions energy: -1929.279 where: short stacking energy: -885.101 Base-Backbone interact. energy: -4.799 local terms energy: -926.738069 where: bonds (distance) C4'-P energy: -166.089 bonds (distance) P-C4' energy: -173.705 flat angles C4'-P-C4' energy: -198.243 flat angles P-C4'-P energy: -138.727 tors. eta vs tors. theta energy: -249.974 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: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2676.756940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.756940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.756940 (E_RNA) where: Base-Base interactions energy: -1809.056 where: short stacking energy: -826.618 Base-Backbone interact. energy: -3.154 local terms energy: -864.547010 where: bonds (distance) C4'-P energy: -149.825 bonds (distance) P-C4' energy: -184.519 flat angles C4'-P-C4' energy: -186.330 flat angles P-C4'-P energy: -127.090 tors. eta vs tors. theta energy: -216.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2477.363004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.363004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.363004 (E_RNA) where: Base-Base interactions energy: -1643.863 where: short stacking energy: -751.783 Base-Backbone interact. energy: -1.549 local terms energy: -831.950781 where: bonds (distance) C4'-P energy: -155.331 bonds (distance) P-C4' energy: -159.680 flat angles C4'-P-C4' energy: -182.936 flat angles P-C4'-P energy: -113.710 tors. eta vs tors. theta energy: -220.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2306.593470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.593470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.593470 (E_RNA) where: Base-Base interactions energy: -1525.037 where: short stacking energy: -704.623 Base-Backbone interact. energy: 0.387 local terms energy: -781.943385 where: bonds (distance) C4'-P energy: -156.539 bonds (distance) P-C4' energy: -154.567 flat angles C4'-P-C4' energy: -193.000 flat angles P-C4'-P energy: -94.351 tors. eta vs tors. theta energy: -183.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2095.618610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.618610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.618610 (E_RNA) where: Base-Base interactions energy: -1353.625 where: short stacking energy: -611.405 Base-Backbone interact. energy: 1.785 local terms energy: -743.778115 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -162.738 flat angles C4'-P-C4' energy: -156.819 flat angles P-C4'-P energy: -120.912 tors. eta vs tors. theta energy: -156.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1658.456905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.456905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.456905 (E_RNA) where: Base-Base interactions energy: -991.286 where: short stacking energy: -482.256 Base-Backbone interact. energy: 0.244 local terms energy: -667.414692 where: bonds (distance) C4'-P energy: -159.052 bonds (distance) P-C4' energy: -159.548 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -102.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1145.311858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.311858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.311858 (E_RNA) where: Base-Base interactions energy: -620.656 where: short stacking energy: -358.474 Base-Backbone interact. energy: 3.558 local terms energy: -528.213929 where: bonds (distance) C4'-P energy: -145.320 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -126.614 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -29.626 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: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -876.779839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.779839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.779839 (E_RNA) where: Base-Base interactions energy: -405.188 where: short stacking energy: -251.043 Base-Backbone interact. energy: 5.219 local terms energy: -476.810747 where: bonds (distance) C4'-P energy: -143.588 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -132.033 flat angles P-C4'-P energy: -71.452 tors. eta vs tors. theta energy: 10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3165.030319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.030319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.030319 (E_RNA) where: Base-Base interactions energy: -2172.280 where: short stacking energy: -950.563 Base-Backbone interact. energy: -1.016 local terms energy: -991.734942 where: bonds (distance) C4'-P energy: -184.295 bonds (distance) P-C4' energy: -195.322 flat angles C4'-P-C4' energy: -198.818 flat angles P-C4'-P energy: -131.562 tors. eta vs tors. theta energy: -281.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2962.394101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.394101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.394101 (E_RNA) where: Base-Base interactions energy: -1993.998 where: short stacking energy: -906.341 Base-Backbone interact. energy: 2.363 local terms energy: -970.759081 where: bonds (distance) C4'-P energy: -183.019 bonds (distance) P-C4' energy: -187.913 flat angles C4'-P-C4' energy: -191.918 flat angles P-C4'-P energy: -134.615 tors. eta vs tors. theta energy: -273.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2918.363334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.363334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.363334 (E_RNA) where: Base-Base interactions energy: -1960.811 where: short stacking energy: -926.867 Base-Backbone interact. energy: -3.067 local terms energy: -954.485507 where: bonds (distance) C4'-P energy: -190.553 bonds (distance) P-C4' energy: -173.350 flat angles C4'-P-C4' energy: -199.094 flat angles P-C4'-P energy: -124.305 tors. eta vs tors. theta energy: -267.183 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: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2740.271749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.271749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.271749 (E_RNA) where: Base-Base interactions energy: -1878.585 where: short stacking energy: -811.596 Base-Backbone interact. energy: -2.540 local terms energy: -859.146152 where: bonds (distance) C4'-P energy: -159.488 bonds (distance) P-C4' energy: -152.540 flat angles C4'-P-C4' energy: -185.508 flat angles P-C4'-P energy: -125.800 tors. eta vs tors. theta energy: -235.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2586.538732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.538732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.538732 (E_RNA) where: Base-Base interactions energy: -1706.148 where: short stacking energy: -817.271 Base-Backbone interact. energy: -1.165 local terms energy: -879.225620 where: bonds (distance) C4'-P energy: -154.690 bonds (distance) P-C4' energy: -168.655 flat angles C4'-P-C4' energy: -185.037 flat angles P-C4'-P energy: -130.680 tors. eta vs tors. theta energy: -240.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2332.057669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.057669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.057669 (E_RNA) where: Base-Base interactions energy: -1500.558 where: short stacking energy: -674.611 Base-Backbone interact. energy: -3.262 local terms energy: -828.237335 where: bonds (distance) C4'-P energy: -169.927 bonds (distance) P-C4' energy: -169.258 flat angles C4'-P-C4' energy: -184.194 flat angles P-C4'-P energy: -126.063 tors. eta vs tors. theta energy: -178.795 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: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2145.418819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.418819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.418819 (E_RNA) where: Base-Base interactions energy: -1389.712 where: short stacking energy: -653.918 Base-Backbone interact. energy: 2.089 local terms energy: -757.796360 where: bonds (distance) C4'-P energy: -149.733 bonds (distance) P-C4' energy: -146.580 flat angles C4'-P-C4' energy: -167.554 flat angles P-C4'-P energy: -111.725 tors. eta vs tors. theta energy: -182.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1606.680642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.680642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.680642 (E_RNA) where: Base-Base interactions energy: -950.335 where: short stacking energy: -463.208 Base-Backbone interact. energy: 2.074 local terms energy: -658.419121 where: bonds (distance) C4'-P energy: -155.883 bonds (distance) P-C4' energy: -166.072 flat angles C4'-P-C4' energy: -138.713 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -103.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1098.923396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.923396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.923396 (E_RNA) where: Base-Base interactions energy: -598.699 where: short stacking energy: -301.344 Base-Backbone interact. energy: -1.614 local terms energy: -498.610267 where: bonds (distance) C4'-P energy: -150.533 bonds (distance) P-C4' energy: -139.044 flat angles C4'-P-C4' energy: -126.474 flat angles P-C4'-P energy: -89.016 tors. eta vs tors. theta energy: 6.457 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: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -870.728917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.728917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.728917 (E_RNA) where: Base-Base interactions energy: -389.267 where: short stacking energy: -245.777 Base-Backbone interact. energy: -1.411 local terms energy: -480.051388 where: bonds (distance) C4'-P energy: -151.076 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -122.598 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: 15.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3184.124702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.124702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.124702 (E_RNA) where: Base-Base interactions energy: -2147.883 where: short stacking energy: -976.413 Base-Backbone interact. energy: -5.566 local terms energy: -1030.675011 where: bonds (distance) C4'-P energy: -184.300 bonds (distance) P-C4' energy: -210.539 flat angles C4'-P-C4' energy: -200.547 flat angles P-C4'-P energy: -150.252 tors. eta vs tors. theta energy: -285.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3028.112635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.112635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.112635 (E_RNA) where: Base-Base interactions energy: -2037.789 where: short stacking energy: -923.451 Base-Backbone interact. energy: -1.791 local terms energy: -988.532234 where: bonds (distance) C4'-P energy: -190.285 bonds (distance) P-C4' energy: -171.151 flat angles C4'-P-C4' energy: -212.110 flat angles P-C4'-P energy: -137.191 tors. eta vs tors. theta energy: -277.795 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: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2897.935396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.935396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.935396 (E_RNA) where: Base-Base interactions energy: -1945.434 where: short stacking energy: -882.423 Base-Backbone interact. energy: 0.402 local terms energy: -952.902813 where: bonds (distance) C4'-P energy: -160.555 bonds (distance) P-C4' energy: -186.051 flat angles C4'-P-C4' energy: -210.905 flat angles P-C4'-P energy: -131.158 tors. eta vs tors. theta energy: -264.234 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: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2719.048012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.048012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.048012 (E_RNA) where: Base-Base interactions energy: -1850.283 where: short stacking energy: -824.015 Base-Backbone interact. energy: 0.931 local terms energy: -869.695539 where: bonds (distance) C4'-P energy: -169.386 bonds (distance) P-C4' energy: -147.503 flat angles C4'-P-C4' energy: -205.817 flat angles P-C4'-P energy: -113.683 tors. eta vs tors. theta energy: -233.306 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: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2569.234026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.234026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.234026 (E_RNA) where: Base-Base interactions energy: -1713.825 where: short stacking energy: -775.737 Base-Backbone interact. energy: -3.848 local terms energy: -851.561585 where: bonds (distance) C4'-P energy: -161.025 bonds (distance) P-C4' energy: -169.470 flat angles C4'-P-C4' energy: -190.623 flat angles P-C4'-P energy: -114.912 tors. eta vs tors. theta energy: -215.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2357.759141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.759141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.759141 (E_RNA) where: Base-Base interactions energy: -1598.219 where: short stacking energy: -743.280 Base-Backbone interact. energy: 1.292 local terms energy: -760.832693 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -165.556 flat angles C4'-P-C4' energy: -163.639 flat angles P-C4'-P energy: -116.848 tors. eta vs tors. theta energy: -193.553 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: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2116.200512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.200512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.200512 (E_RNA) where: Base-Base interactions energy: -1392.360 where: short stacking energy: -636.121 Base-Backbone interact. energy: 2.370 local terms energy: -726.211184 where: bonds (distance) C4'-P energy: -156.156 bonds (distance) P-C4' energy: -166.807 flat angles C4'-P-C4' energy: -154.537 flat angles P-C4'-P energy: -96.741 tors. eta vs tors. theta energy: -151.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1584.195263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.195263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.195263 (E_RNA) where: Base-Base interactions energy: -957.649 where: short stacking energy: -476.725 Base-Backbone interact. energy: -2.899 local terms energy: -623.647924 where: bonds (distance) C4'-P energy: -126.841 bonds (distance) P-C4' energy: -162.917 flat angles C4'-P-C4' energy: -142.128 flat angles P-C4'-P energy: -89.617 tors. eta vs tors. theta energy: -102.145 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: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1113.836387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.836387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.836387 (E_RNA) where: Base-Base interactions energy: -591.720 where: short stacking energy: -282.712 Base-Backbone interact. energy: -0.046 local terms energy: -522.070358 where: bonds (distance) C4'-P energy: -139.578 bonds (distance) P-C4' energy: -162.789 flat angles C4'-P-C4' energy: -143.525 flat angles P-C4'-P energy: -88.142 tors. eta vs tors. theta energy: 11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -848.480714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.480714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.480714 (E_RNA) where: Base-Base interactions energy: -395.247 where: short stacking energy: -265.672 Base-Backbone interact. energy: 2.614 local terms energy: -455.847908 where: bonds (distance) C4'-P energy: -141.187 bonds (distance) P-C4' energy: -149.463 flat angles C4'-P-C4' energy: -108.798 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -4.140 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: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3154.916517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.916517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.916517 (E_RNA) where: Base-Base interactions energy: -2139.017 where: short stacking energy: -951.100 Base-Backbone interact. energy: -1.326 local terms energy: -1014.573891 where: bonds (distance) C4'-P energy: -196.232 bonds (distance) P-C4' energy: -175.470 flat angles C4'-P-C4' energy: -217.962 flat angles P-C4'-P energy: -152.752 tors. eta vs tors. theta energy: -272.157 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: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3032.191900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.191900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.191900 (E_RNA) where: Base-Base interactions energy: -2077.306 where: short stacking energy: -940.639 Base-Backbone interact. energy: -1.640 local terms energy: -953.246364 where: bonds (distance) C4'-P energy: -179.427 bonds (distance) P-C4' energy: -174.233 flat angles C4'-P-C4' energy: -204.587 flat angles P-C4'-P energy: -116.736 tors. eta vs tors. theta energy: -278.264 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: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2884.710781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.710781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.710781 (E_RNA) where: Base-Base interactions energy: -1929.543 where: short stacking energy: -873.713 Base-Backbone interact. energy: -5.153 local terms energy: -950.014436 where: bonds (distance) C4'-P energy: -161.245 bonds (distance) P-C4' energy: -192.450 flat angles C4'-P-C4' energy: -204.182 flat angles P-C4'-P energy: -125.794 tors. eta vs tors. theta energy: -266.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2679.011305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.011305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.011305 (E_RNA) where: Base-Base interactions energy: -1803.831 where: short stacking energy: -793.272 Base-Backbone interact. energy: -5.347 local terms energy: -869.833738 where: bonds (distance) C4'-P energy: -172.439 bonds (distance) P-C4' energy: -173.768 flat angles C4'-P-C4' energy: -179.341 flat angles P-C4'-P energy: -111.265 tors. eta vs tors. theta energy: -233.020 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: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2570.322421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.322421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.322421 (E_RNA) where: Base-Base interactions energy: -1716.573 where: short stacking energy: -810.473 Base-Backbone interact. energy: 0.491 local terms energy: -854.240569 where: bonds (distance) C4'-P energy: -168.880 bonds (distance) P-C4' energy: -159.196 flat angles C4'-P-C4' energy: -184.333 flat angles P-C4'-P energy: -109.948 tors. eta vs tors. theta energy: -231.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2276.233019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.233019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.233019 (E_RNA) where: Base-Base interactions energy: -1463.461 where: short stacking energy: -681.369 Base-Backbone interact. energy: -2.690 local terms energy: -810.081899 where: bonds (distance) C4'-P energy: -169.950 bonds (distance) P-C4' energy: -176.987 flat angles C4'-P-C4' energy: -185.553 flat angles P-C4'-P energy: -99.650 tors. eta vs tors. theta energy: -177.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2199.727230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.727230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.727230 (E_RNA) where: Base-Base interactions energy: -1449.410 where: short stacking energy: -654.481 Base-Backbone interact. energy: 1.715 local terms energy: -752.031860 where: bonds (distance) C4'-P energy: -144.499 bonds (distance) P-C4' energy: -163.212 flat angles C4'-P-C4' energy: -174.667 flat angles P-C4'-P energy: -103.452 tors. eta vs tors. theta energy: -166.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1545.413370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.413370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.413370 (E_RNA) where: Base-Base interactions energy: -896.196 where: short stacking energy: -465.219 Base-Backbone interact. energy: -3.071 local terms energy: -646.146689 where: bonds (distance) C4'-P energy: -143.808 bonds (distance) P-C4' energy: -164.267 flat angles C4'-P-C4' energy: -147.924 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -90.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1083.492352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.492352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.492352 (E_RNA) where: Base-Base interactions energy: -566.315 where: short stacking energy: -340.812 Base-Backbone interact. energy: -0.725 local terms energy: -516.452223 where: bonds (distance) C4'-P energy: -144.414 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -131.101 flat angles P-C4'-P energy: -76.687 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: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -832.637617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.637617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.637617 (E_RNA) where: Base-Base interactions energy: -362.337 where: short stacking energy: -260.895 Base-Backbone interact. energy: -0.252 local terms energy: -470.048294 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -151.029 flat angles C4'-P-C4' energy: -137.271 flat angles P-C4'-P energy: -84.828 tors. eta vs tors. theta energy: 27.203 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: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3165.362425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.362425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.362425 (E_RNA) where: Base-Base interactions energy: -2161.677 where: short stacking energy: -957.252 Base-Backbone interact. energy: -2.698 local terms energy: -1000.987105 where: bonds (distance) C4'-P energy: -200.724 bonds (distance) P-C4' energy: -181.445 flat angles C4'-P-C4' energy: -205.299 flat angles P-C4'-P energy: -131.723 tors. eta vs tors. theta energy: -281.796 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: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -3005.278913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.278913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.278913 (E_RNA) where: Base-Base interactions energy: -2071.494 where: short stacking energy: -949.387 Base-Backbone interact. energy: 1.132 local terms energy: -934.917561 where: bonds (distance) C4'-P energy: -154.278 bonds (distance) P-C4' energy: -171.484 flat angles C4'-P-C4' energy: -197.197 flat angles P-C4'-P energy: -131.632 tors. eta vs tors. theta energy: -280.327 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: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2897.513559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.513559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.513559 (E_RNA) where: Base-Base interactions energy: -1968.776 where: short stacking energy: -870.732 Base-Backbone interact. energy: -2.986 local terms energy: -925.750933 where: bonds (distance) C4'-P energy: -167.352 bonds (distance) P-C4' energy: -165.536 flat angles C4'-P-C4' energy: -196.742 flat angles P-C4'-P energy: -128.803 tors. eta vs tors. theta energy: -267.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2696.372439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.372439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.372439 (E_RNA) where: Base-Base interactions energy: -1770.020 where: short stacking energy: -804.355 Base-Backbone interact. energy: -1.560 local terms energy: -924.793025 where: bonds (distance) C4'-P energy: -180.541 bonds (distance) P-C4' energy: -166.873 flat angles C4'-P-C4' energy: -194.512 flat angles P-C4'-P energy: -143.670 tors. eta vs tors. theta energy: -239.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2624.257919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.257919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.257919 (E_RNA) where: Base-Base interactions energy: -1729.233 where: short stacking energy: -786.313 Base-Backbone interact. energy: -1.628 local terms energy: -893.396414 where: bonds (distance) C4'-P energy: -168.452 bonds (distance) P-C4' energy: -170.326 flat angles C4'-P-C4' energy: -201.391 flat angles P-C4'-P energy: -121.321 tors. eta vs tors. theta energy: -231.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2247.302762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.302762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.302762 (E_RNA) where: Base-Base interactions energy: -1459.668 where: short stacking energy: -655.026 Base-Backbone interact. energy: -3.889 local terms energy: -783.745900 where: bonds (distance) C4'-P energy: -147.892 bonds (distance) P-C4' energy: -170.093 flat angles C4'-P-C4' energy: -177.470 flat angles P-C4'-P energy: -106.005 tors. eta vs tors. theta energy: -182.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2186.205976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.205976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.205976 (E_RNA) where: Base-Base interactions energy: -1435.021 where: short stacking energy: -651.663 Base-Backbone interact. energy: -0.085 local terms energy: -751.099957 where: bonds (distance) C4'-P energy: -118.340 bonds (distance) P-C4' energy: -157.816 flat angles C4'-P-C4' energy: -190.198 flat angles P-C4'-P energy: -113.329 tors. eta vs tors. theta energy: -171.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1554.807756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.807756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.807756 (E_RNA) where: Base-Base interactions energy: -919.705 where: short stacking energy: -484.161 Base-Backbone interact. energy: 1.989 local terms energy: -637.092098 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -142.428 flat angles C4'-P-C4' energy: -169.166 flat angles P-C4'-P energy: -110.136 tors. eta vs tors. theta energy: -72.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1081.073102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.073102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.073102 (E_RNA) where: Base-Base interactions energy: -550.542 where: short stacking energy: -319.211 Base-Backbone interact. energy: 4.827 local terms energy: -535.357865 where: bonds (distance) C4'-P energy: -140.881 bonds (distance) P-C4' energy: -155.176 flat angles C4'-P-C4' energy: -143.483 flat angles P-C4'-P energy: -86.387 tors. eta vs tors. theta energy: -9.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -857.498377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.498377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.498377 (E_RNA) where: Base-Base interactions energy: -400.488 where: short stacking energy: -240.039 Base-Backbone interact. energy: 0.648 local terms energy: -457.659143 where: bonds (distance) C4'-P energy: -133.249 bonds (distance) P-C4' energy: -141.775 flat angles C4'-P-C4' energy: -134.183 flat angles P-C4'-P energy: -63.475 tors. eta vs tors. theta energy: 15.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3170.487534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.487534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.487534 (E_RNA) where: Base-Base interactions energy: -2178.044 where: short stacking energy: -972.467 Base-Backbone interact. energy: -0.267 local terms energy: -992.176345 where: bonds (distance) C4'-P energy: -172.593 bonds (distance) P-C4' energy: -192.597 flat angles C4'-P-C4' energy: -204.721 flat angles P-C4'-P energy: -143.005 tors. eta vs tors. theta energy: -279.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -3040.261555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.261555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.261555 (E_RNA) where: Base-Base interactions energy: -2085.532 where: short stacking energy: -938.691 Base-Backbone interact. energy: 0.352 local terms energy: -955.081521 where: bonds (distance) C4'-P energy: -169.733 bonds (distance) P-C4' energy: -164.024 flat angles C4'-P-C4' energy: -209.610 flat angles P-C4'-P energy: -127.673 tors. eta vs tors. theta energy: -284.041 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: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2893.535666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.535666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.535666 (E_RNA) where: Base-Base interactions energy: -1969.479 where: short stacking energy: -898.538 Base-Backbone interact. energy: -1.934 local terms energy: -922.123000 where: bonds (distance) C4'-P energy: -158.349 bonds (distance) P-C4' energy: -184.242 flat angles C4'-P-C4' energy: -196.356 flat angles P-C4'-P energy: -119.233 tors. eta vs tors. theta energy: -263.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2701.625675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.625675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.625675 (E_RNA) where: Base-Base interactions energy: -1840.949 where: short stacking energy: -840.626 Base-Backbone interact. energy: -0.489 local terms energy: -860.187942 where: bonds (distance) C4'-P energy: -139.219 bonds (distance) P-C4' energy: -154.599 flat angles C4'-P-C4' energy: -194.131 flat angles P-C4'-P energy: -133.900 tors. eta vs tors. theta energy: -238.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2565.094714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.094714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.094714 (E_RNA) where: Base-Base interactions energy: -1749.053 where: short stacking energy: -808.135 Base-Backbone interact. energy: -1.419 local terms energy: -814.621767 where: bonds (distance) C4'-P energy: -129.813 bonds (distance) P-C4' energy: -155.344 flat angles C4'-P-C4' energy: -186.641 flat angles P-C4'-P energy: -122.174 tors. eta vs tors. theta energy: -220.650 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: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2295.033943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.033943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.033943 (E_RNA) where: Base-Base interactions energy: -1500.783 where: short stacking energy: -688.008 Base-Backbone interact. energy: -2.353 local terms energy: -791.898026 where: bonds (distance) C4'-P energy: -135.307 bonds (distance) P-C4' energy: -170.105 flat angles C4'-P-C4' energy: -184.540 flat angles P-C4'-P energy: -127.647 tors. eta vs tors. theta energy: -174.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2125.184025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.184025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.184025 (E_RNA) where: Base-Base interactions energy: -1401.044 where: short stacking energy: -629.269 Base-Backbone interact. energy: -1.373 local terms energy: -722.767198 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -142.258 flat angles C4'-P-C4' energy: -176.396 flat angles P-C4'-P energy: -97.556 tors. eta vs tors. theta energy: -161.623 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: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1569.214599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.214599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.214599 (E_RNA) where: Base-Base interactions energy: -887.270 where: short stacking energy: -455.812 Base-Backbone interact. energy: -2.959 local terms energy: -678.986335 where: bonds (distance) C4'-P energy: -169.193 bonds (distance) P-C4' energy: -169.092 flat angles C4'-P-C4' energy: -165.048 flat angles P-C4'-P energy: -78.790 tors. eta vs tors. theta energy: -96.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1139.580335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.580335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.580335 (E_RNA) where: Base-Base interactions energy: -642.539 where: short stacking energy: -374.880 Base-Backbone interact. energy: -0.444 local terms energy: -496.597154 where: bonds (distance) C4'-P energy: -129.514 bonds (distance) P-C4' energy: -154.085 flat angles C4'-P-C4' energy: -125.030 flat angles P-C4'-P energy: -63.105 tors. eta vs tors. theta energy: -24.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -840.906209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.906209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.906209 (E_RNA) where: Base-Base interactions energy: -355.265 where: short stacking energy: -235.459 Base-Backbone interact. energy: 0.020 local terms energy: -485.661533 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -156.478 flat angles C4'-P-C4' energy: -125.187 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: 14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3162.950128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.950128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.950128 (E_RNA) where: Base-Base interactions energy: -2164.351 where: short stacking energy: -959.928 Base-Backbone interact. energy: -4.158 local terms energy: -994.441310 where: bonds (distance) C4'-P energy: -173.593 bonds (distance) P-C4' energy: -193.143 flat angles C4'-P-C4' energy: -205.377 flat angles P-C4'-P energy: -139.008 tors. eta vs tors. theta energy: -283.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -3041.768297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.768297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.768297 (E_RNA) where: Base-Base interactions energy: -2033.113 where: short stacking energy: -945.126 Base-Backbone interact. energy: 0.897 local terms energy: -1009.551956 where: bonds (distance) C4'-P energy: -177.930 bonds (distance) P-C4' energy: -176.779 flat angles C4'-P-C4' energy: -221.193 flat angles P-C4'-P energy: -139.624 tors. eta vs tors. theta energy: -294.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2852.659858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.659858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.659858 (E_RNA) where: Base-Base interactions energy: -1916.096 where: short stacking energy: -874.868 Base-Backbone interact. energy: -0.804 local terms energy: -935.760645 where: bonds (distance) C4'-P energy: -161.789 bonds (distance) P-C4' energy: -181.554 flat angles C4'-P-C4' energy: -200.965 flat angles P-C4'-P energy: -131.568 tors. eta vs tors. theta energy: -259.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2725.206124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.206124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.206124 (E_RNA) where: Base-Base interactions energy: -1817.933 where: short stacking energy: -840.587 Base-Backbone interact. energy: 1.098 local terms energy: -908.371384 where: bonds (distance) C4'-P energy: -151.660 bonds (distance) P-C4' energy: -162.113 flat angles C4'-P-C4' energy: -206.331 flat angles P-C4'-P energy: -132.640 tors. eta vs tors. theta energy: -255.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2550.765977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.765977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.765977 (E_RNA) where: Base-Base interactions energy: -1670.070 where: short stacking energy: -769.016 Base-Backbone interact. energy: -4.922 local terms energy: -875.773756 where: bonds (distance) C4'-P energy: -160.581 bonds (distance) P-C4' energy: -185.824 flat angles C4'-P-C4' energy: -187.281 flat angles P-C4'-P energy: -127.831 tors. eta vs tors. theta energy: -214.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2364.666088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.666088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.666088 (E_RNA) where: Base-Base interactions energy: -1541.130 where: short stacking energy: -696.887 Base-Backbone interact. energy: 3.381 local terms energy: -826.917528 where: bonds (distance) C4'-P energy: -168.994 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -185.789 flat angles P-C4'-P energy: -121.583 tors. eta vs tors. theta energy: -182.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2137.459498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.459498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.459498 (E_RNA) where: Base-Base interactions energy: -1415.256 where: short stacking energy: -625.582 Base-Backbone interact. energy: -3.046 local terms energy: -719.157910 where: bonds (distance) C4'-P energy: -176.084 bonds (distance) P-C4' energy: -137.878 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -108.512 tors. eta vs tors. theta energy: -150.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1541.482840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.482840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.482840 (E_RNA) where: Base-Base interactions energy: -943.684 where: short stacking energy: -481.672 Base-Backbone interact. energy: 1.673 local terms energy: -599.472488 where: bonds (distance) C4'-P energy: -123.247 bonds (distance) P-C4' energy: -159.976 flat angles C4'-P-C4' energy: -140.726 flat angles P-C4'-P energy: -77.739 tors. eta vs tors. theta energy: -97.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1180.937566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.937566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.937566 (E_RNA) where: Base-Base interactions energy: -636.382 where: short stacking energy: -347.698 Base-Backbone interact. energy: 6.722 local terms energy: -551.277122 where: bonds (distance) C4'-P energy: -144.740 bonds (distance) P-C4' energy: -165.811 flat angles C4'-P-C4' energy: -131.175 flat angles P-C4'-P energy: -84.116 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: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -828.934126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.934126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.934126 (E_RNA) where: Base-Base interactions energy: -362.733 where: short stacking energy: -263.441 Base-Backbone interact. energy: -4.072 local terms energy: -462.128826 where: bonds (distance) C4'-P energy: -141.648 bonds (distance) P-C4' energy: -138.049 flat angles C4'-P-C4' energy: -117.864 flat angles P-C4'-P energy: -76.610 tors. eta vs tors. theta energy: 12.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3153.937292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.937292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.937292 (E_RNA) where: Base-Base interactions energy: -2125.300 where: short stacking energy: -968.289 Base-Backbone interact. energy: -6.356 local terms energy: -1022.281096 where: bonds (distance) C4'-P energy: -170.299 bonds (distance) P-C4' energy: -194.183 flat angles C4'-P-C4' energy: -220.475 flat angles P-C4'-P energy: -147.295 tors. eta vs tors. theta energy: -290.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3012.898386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.898386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.898386 (E_RNA) where: Base-Base interactions energy: -2040.894 where: short stacking energy: -923.920 Base-Backbone interact. energy: -0.188 local terms energy: -971.816376 where: bonds (distance) C4'-P energy: -178.308 bonds (distance) P-C4' energy: -178.089 flat angles C4'-P-C4' energy: -210.611 flat angles P-C4'-P energy: -131.092 tors. eta vs tors. theta energy: -273.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2837.974788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.974788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.974788 (E_RNA) where: Base-Base interactions energy: -1898.575 where: short stacking energy: -845.800 Base-Backbone interact. energy: -3.843 local terms energy: -935.556323 where: bonds (distance) C4'-P energy: -165.892 bonds (distance) P-C4' energy: -187.227 flat angles C4'-P-C4' energy: -199.490 flat angles P-C4'-P energy: -129.441 tors. eta vs tors. theta energy: -253.505 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: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2683.184743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.184743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.184743 (E_RNA) where: Base-Base interactions energy: -1807.188 where: short stacking energy: -785.952 Base-Backbone interact. energy: 1.224 local terms energy: -877.220340 where: bonds (distance) C4'-P energy: -158.169 bonds (distance) P-C4' energy: -164.025 flat angles C4'-P-C4' energy: -196.245 flat angles P-C4'-P energy: -134.454 tors. eta vs tors. theta energy: -224.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2546.828085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.828085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.828085 (E_RNA) where: Base-Base interactions energy: -1722.019 where: short stacking energy: -785.540 Base-Backbone interact. energy: -0.021 local terms energy: -824.787956 where: bonds (distance) C4'-P energy: -151.492 bonds (distance) P-C4' energy: -165.654 flat angles C4'-P-C4' energy: -177.784 flat angles P-C4'-P energy: -115.565 tors. eta vs tors. theta energy: -214.293 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: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2289.556638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.556638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.556638 (E_RNA) where: Base-Base interactions energy: -1519.464 where: short stacking energy: -702.448 Base-Backbone interact. energy: -1.259 local terms energy: -768.832727 where: bonds (distance) C4'-P energy: -145.976 bonds (distance) P-C4' energy: -149.450 flat angles C4'-P-C4' energy: -194.015 flat angles P-C4'-P energy: -112.091 tors. eta vs tors. theta energy: -167.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2152.337917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.337917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.337917 (E_RNA) where: Base-Base interactions energy: -1413.589 where: short stacking energy: -636.198 Base-Backbone interact. energy: -2.769 local terms energy: -735.979592 where: bonds (distance) C4'-P energy: -165.950 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -175.705 flat angles P-C4'-P energy: -92.401 tors. eta vs tors. theta energy: -151.913 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: 355 Temperature: 1.250000 Total energy: -1528.595079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.595079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.595079 (E_RNA) where: Base-Base interactions energy: -897.501 where: short stacking energy: -444.390 Base-Backbone interact. energy: -2.498 local terms energy: -628.596611 where: bonds (distance) C4'-P energy: -136.456 bonds (distance) P-C4' energy: -180.203 flat angles C4'-P-C4' energy: -162.363 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -69.465 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: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1256.983764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.983764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.983764 (E_RNA) where: Base-Base interactions energy: -724.833 where: short stacking energy: -375.687 Base-Backbone interact. energy: 1.170 local terms energy: -533.321391 where: bonds (distance) C4'-P energy: -125.129 bonds (distance) P-C4' energy: -153.053 flat angles C4'-P-C4' energy: -130.729 flat angles P-C4'-P energy: -83.128 tors. eta vs tors. theta energy: -41.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -804.049816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.049816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.049816 (E_RNA) where: Base-Base interactions energy: -362.210 where: short stacking energy: -240.666 Base-Backbone interact. energy: -3.988 local terms energy: -437.851798 where: bonds (distance) C4'-P energy: -142.820 bonds (distance) P-C4' energy: -136.859 flat angles C4'-P-C4' energy: -122.643 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: 25.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3055.415844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.415844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.415844 (E_RNA) where: Base-Base interactions energy: -2074.411 where: short stacking energy: -943.433 Base-Backbone interact. energy: -1.294 local terms energy: -979.710883 where: bonds (distance) C4'-P energy: -161.239 bonds (distance) P-C4' energy: -196.192 flat angles C4'-P-C4' energy: -202.149 flat angles P-C4'-P energy: -137.728 tors. eta vs tors. theta energy: -282.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3116.041256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.041256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.041256 (E_RNA) where: Base-Base interactions energy: -2132.568 where: short stacking energy: -957.788 Base-Backbone interact. energy: -2.580 local terms energy: -980.893168 where: bonds (distance) C4'-P energy: -182.809 bonds (distance) P-C4' energy: -174.071 flat angles C4'-P-C4' energy: -206.083 flat angles P-C4'-P energy: -139.950 tors. eta vs tors. theta energy: -277.980 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: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2835.535457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.535457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.535457 (E_RNA) where: Base-Base interactions energy: -1903.961 where: short stacking energy: -852.326 Base-Backbone interact. energy: -1.598 local terms energy: -929.976806 where: bonds (distance) C4'-P energy: -180.902 bonds (distance) P-C4' energy: -175.548 flat angles C4'-P-C4' energy: -186.498 flat angles P-C4'-P energy: -130.108 tors. eta vs tors. theta energy: -256.921 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: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2635.770832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.770832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.770832 (E_RNA) where: Base-Base interactions energy: -1772.665 where: short stacking energy: -815.794 Base-Backbone interact. energy: 6.211 local terms energy: -869.317668 where: bonds (distance) C4'-P energy: -159.615 bonds (distance) P-C4' energy: -159.900 flat angles C4'-P-C4' energy: -202.416 flat angles P-C4'-P energy: -112.810 tors. eta vs tors. theta energy: -234.576 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: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2634.629894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.629894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.629894 (E_RNA) where: Base-Base interactions energy: -1770.893 where: short stacking energy: -829.522 Base-Backbone interact. energy: -3.967 local terms energy: -859.769865 where: bonds (distance) C4'-P energy: -161.887 bonds (distance) P-C4' energy: -145.911 flat angles C4'-P-C4' energy: -181.447 flat angles P-C4'-P energy: -129.404 tors. eta vs tors. theta energy: -241.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2309.082549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.082549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.082549 (E_RNA) where: Base-Base interactions energy: -1517.522 where: short stacking energy: -667.915 Base-Backbone interact. energy: -2.180 local terms energy: -789.380776 where: bonds (distance) C4'-P energy: -158.151 bonds (distance) P-C4' energy: -168.345 flat angles C4'-P-C4' energy: -180.552 flat angles P-C4'-P energy: -107.865 tors. eta vs tors. theta energy: -174.468 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: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2209.589579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.589579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.589579 (E_RNA) where: Base-Base interactions energy: -1449.393 where: short stacking energy: -658.186 Base-Backbone interact. energy: -2.867 local terms energy: -757.329507 where: bonds (distance) C4'-P energy: -130.020 bonds (distance) P-C4' energy: -161.767 flat angles C4'-P-C4' energy: -186.514 flat angles P-C4'-P energy: -106.521 tors. eta vs tors. theta energy: -172.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1553.509484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.509484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.509484 (E_RNA) where: Base-Base interactions energy: -931.603 where: short stacking energy: -447.123 Base-Backbone interact. energy: 0.772 local terms energy: -622.678517 where: bonds (distance) C4'-P energy: -144.447 bonds (distance) P-C4' energy: -136.793 flat angles C4'-P-C4' energy: -154.296 flat angles P-C4'-P energy: -103.507 tors. eta vs tors. theta energy: -83.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1205.326194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.326194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.326194 (E_RNA) where: Base-Base interactions energy: -668.370 where: short stacking energy: -339.636 Base-Backbone interact. energy: 3.985 local terms energy: -540.940725 where: bonds (distance) C4'-P energy: -150.378 bonds (distance) P-C4' energy: -155.754 flat angles C4'-P-C4' energy: -152.043 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -816.823299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.823299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.823299 (E_RNA) where: Base-Base interactions energy: -343.835 where: short stacking energy: -215.203 Base-Backbone interact. energy: 6.138 local terms energy: -479.125988 where: bonds (distance) C4'-P energy: -140.852 bonds (distance) P-C4' energy: -179.054 flat angles C4'-P-C4' energy: -112.209 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: 29.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3089.420191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.420191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.420191 (E_RNA) where: Base-Base interactions energy: -2087.883 where: short stacking energy: -989.448 Base-Backbone interact. energy: 1.123 local terms energy: -1002.661012 where: bonds (distance) C4'-P energy: -182.270 bonds (distance) P-C4' energy: -178.050 flat angles C4'-P-C4' energy: -210.195 flat angles P-C4'-P energy: -149.393 tors. eta vs tors. theta energy: -282.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3086.953911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.953911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.953911 (E_RNA) where: Base-Base interactions energy: -2085.813 where: short stacking energy: -926.235 Base-Backbone interact. energy: -1.058 local terms energy: -1000.083061 where: bonds (distance) C4'-P energy: -181.721 bonds (distance) P-C4' energy: -197.513 flat angles C4'-P-C4' energy: -208.604 flat angles P-C4'-P energy: -137.822 tors. eta vs tors. theta energy: -274.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2853.645603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.645603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.645603 (E_RNA) where: Base-Base interactions energy: -1919.495 where: short stacking energy: -850.645 Base-Backbone interact. energy: -1.567 local terms energy: -932.583177 where: bonds (distance) C4'-P energy: -166.431 bonds (distance) P-C4' energy: -175.306 flat angles C4'-P-C4' energy: -201.607 flat angles P-C4'-P energy: -130.503 tors. eta vs tors. theta energy: -258.737 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: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2724.127463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.127463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.127463 (E_RNA) where: Base-Base interactions energy: -1797.512 where: short stacking energy: -842.648 Base-Backbone interact. energy: -1.131 local terms energy: -925.484780 where: bonds (distance) C4'-P energy: -162.869 bonds (distance) P-C4' energy: -174.494 flat angles C4'-P-C4' energy: -194.885 flat angles P-C4'-P energy: -134.169 tors. eta vs tors. theta energy: -259.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2546.196101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.196101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.196101 (E_RNA) where: Base-Base interactions energy: -1737.046 where: short stacking energy: -788.030 Base-Backbone interact. energy: -2.686 local terms energy: -806.463791 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -169.189 flat angles C4'-P-C4' energy: -177.707 flat angles P-C4'-P energy: -106.159 tors. eta vs tors. theta energy: -200.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2301.479306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.479306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.479306 (E_RNA) where: Base-Base interactions energy: -1528.472 where: short stacking energy: -675.700 Base-Backbone interact. energy: 0.218 local terms energy: -773.225480 where: bonds (distance) C4'-P energy: -154.185 bonds (distance) P-C4' energy: -164.512 flat angles C4'-P-C4' energy: -175.555 flat angles P-C4'-P energy: -103.693 tors. eta vs tors. theta energy: -175.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2210.917702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.917702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.917702 (E_RNA) where: Base-Base interactions energy: -1465.798 where: short stacking energy: -660.366 Base-Backbone interact. energy: 2.900 local terms energy: -748.019816 where: bonds (distance) C4'-P energy: -151.325 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -188.227 flat angles P-C4'-P energy: -101.237 tors. eta vs tors. theta energy: -172.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1620.375614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.375614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.375614 (E_RNA) where: Base-Base interactions energy: -970.793 where: short stacking energy: -488.962 Base-Backbone interact. energy: -1.447 local terms energy: -648.135399 where: bonds (distance) C4'-P energy: -144.371 bonds (distance) P-C4' energy: -156.971 flat angles C4'-P-C4' energy: -165.426 flat angles P-C4'-P energy: -77.128 tors. eta vs tors. theta energy: -104.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1292.219675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.219675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.219675 (E_RNA) where: Base-Base interactions energy: -735.461 where: short stacking energy: -381.923 Base-Backbone interact. energy: -1.675 local terms energy: -555.083125 where: bonds (distance) C4'-P energy: -132.252 bonds (distance) P-C4' energy: -142.752 flat angles C4'-P-C4' energy: -158.605 flat angles P-C4'-P energy: -80.015 tors. eta vs tors. theta energy: -41.459 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: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -805.588235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.588235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.588235 (E_RNA) where: Base-Base interactions energy: -342.277 where: short stacking energy: -215.065 Base-Backbone interact. energy: -0.007 local terms energy: -463.304679 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -136.123 flat angles C4'-P-C4' energy: -122.854 flat angles P-C4'-P energy: -83.362 tors. eta vs tors. theta energy: 22.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3131.190623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.190623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.190623 (E_RNA) where: Base-Base interactions energy: -2124.573 where: short stacking energy: -950.042 Base-Backbone interact. energy: 2.363 local terms energy: -1008.980997 where: bonds (distance) C4'-P energy: -185.991 bonds (distance) P-C4' energy: -179.804 flat angles C4'-P-C4' energy: -213.661 flat angles P-C4'-P energy: -151.542 tors. eta vs tors. theta energy: -277.984 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: 358 Temperature: 0.950000 Total energy: -2993.846487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.846487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.846487 (E_RNA) where: Base-Base interactions energy: -2003.239 where: short stacking energy: -903.430 Base-Backbone interact. energy: 0.934 local terms energy: -991.541832 where: bonds (distance) C4'-P energy: -189.309 bonds (distance) P-C4' energy: -184.829 flat angles C4'-P-C4' energy: -214.091 flat angles P-C4'-P energy: -138.169 tors. eta vs tors. theta energy: -265.144 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: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2824.079207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.079207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.079207 (E_RNA) where: Base-Base interactions energy: -1911.611 where: short stacking energy: -870.397 Base-Backbone interact. energy: -3.920 local terms energy: -908.548681 where: bonds (distance) C4'-P energy: -165.737 bonds (distance) P-C4' energy: -172.881 flat angles C4'-P-C4' energy: -192.147 flat angles P-C4'-P energy: -126.272 tors. eta vs tors. theta energy: -251.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2783.156443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.156443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.156443 (E_RNA) where: Base-Base interactions energy: -1889.089 where: short stacking energy: -870.289 Base-Backbone interact. energy: -1.493 local terms energy: -892.573917 where: bonds (distance) C4'-P energy: -151.868 bonds (distance) P-C4' energy: -174.907 flat angles C4'-P-C4' energy: -196.630 flat angles P-C4'-P energy: -122.014 tors. eta vs tors. theta energy: -247.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2535.765036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.765036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.765036 (E_RNA) where: Base-Base interactions energy: -1699.331 where: short stacking energy: -749.324 Base-Backbone interact. energy: 3.111 local terms energy: -839.545040 where: bonds (distance) C4'-P energy: -162.433 bonds (distance) P-C4' energy: -156.827 flat angles C4'-P-C4' energy: -190.296 flat angles P-C4'-P energy: -128.609 tors. eta vs tors. theta energy: -201.379 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: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2301.576953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.576953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.576953 (E_RNA) where: Base-Base interactions energy: -1507.440 where: short stacking energy: -699.900 Base-Backbone interact. energy: -1.130 local terms energy: -793.006867 where: bonds (distance) C4'-P energy: -168.519 bonds (distance) P-C4' energy: -154.851 flat angles C4'-P-C4' energy: -183.093 flat angles P-C4'-P energy: -104.952 tors. eta vs tors. theta energy: -181.592 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: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2219.393399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.393399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.393399 (E_RNA) where: Base-Base interactions energy: -1462.290 where: short stacking energy: -668.946 Base-Backbone interact. energy: 1.911 local terms energy: -759.014771 where: bonds (distance) C4'-P energy: -177.409 bonds (distance) P-C4' energy: -141.493 flat angles C4'-P-C4' energy: -166.154 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -172.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1508.849284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.849284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.849284 (E_RNA) where: Base-Base interactions energy: -895.749 where: short stacking energy: -457.149 Base-Backbone interact. energy: 4.640 local terms energy: -617.740215 where: bonds (distance) C4'-P energy: -142.166 bonds (distance) P-C4' energy: -151.602 flat angles C4'-P-C4' energy: -155.900 flat angles P-C4'-P energy: -91.036 tors. eta vs tors. theta energy: -77.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1221.526531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.526531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.526531 (E_RNA) where: Base-Base interactions energy: -674.628 where: short stacking energy: -371.584 Base-Backbone interact. energy: 0.847 local terms energy: -547.745570 where: bonds (distance) C4'-P energy: -136.391 bonds (distance) P-C4' energy: -132.244 flat angles C4'-P-C4' energy: -160.415 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -43.951 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: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -783.396009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.396009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.396009 (E_RNA) where: Base-Base interactions energy: -348.095 where: short stacking energy: -229.057 Base-Backbone interact. energy: -1.665 local terms energy: -433.636243 where: bonds (distance) C4'-P energy: -137.931 bonds (distance) P-C4' energy: -155.309 flat angles C4'-P-C4' energy: -122.820 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: 33.511 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: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3163.540865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.540865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.540865 (E_RNA) where: Base-Base interactions energy: -2145.764 where: short stacking energy: -984.966 Base-Backbone interact. energy: -2.298 local terms energy: -1015.479501 where: bonds (distance) C4'-P energy: -180.216 bonds (distance) P-C4' energy: -185.220 flat angles C4'-P-C4' energy: -218.180 flat angles P-C4'-P energy: -143.421 tors. eta vs tors. theta energy: -288.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3008.222380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.222380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.222380 (E_RNA) where: Base-Base interactions energy: -2026.260 where: short stacking energy: -938.620 Base-Backbone interact. energy: -4.882 local terms energy: -977.080115 where: bonds (distance) C4'-P energy: -170.513 bonds (distance) P-C4' energy: -189.933 flat angles C4'-P-C4' energy: -199.396 flat angles P-C4'-P energy: -147.559 tors. eta vs tors. theta energy: -269.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2851.137918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.137918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.137918 (E_RNA) where: Base-Base interactions energy: -1900.140 where: short stacking energy: -865.129 Base-Backbone interact. energy: -2.049 local terms energy: -948.949016 where: bonds (distance) C4'-P energy: -164.754 bonds (distance) P-C4' energy: -157.296 flat angles C4'-P-C4' energy: -212.187 flat angles P-C4'-P energy: -146.984 tors. eta vs tors. theta energy: -267.727 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: 359 Temperature: 1.050000 Total energy: -2759.902442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.902442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.902442 (E_RNA) where: Base-Base interactions energy: -1854.238 where: short stacking energy: -826.740 Base-Backbone interact. energy: -0.431 local terms energy: -905.233575 where: bonds (distance) C4'-P energy: -173.989 bonds (distance) P-C4' energy: -162.870 flat angles C4'-P-C4' energy: -191.059 flat angles P-C4'-P energy: -122.407 tors. eta vs tors. theta energy: -254.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2561.726578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.726578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.726578 (E_RNA) where: Base-Base interactions energy: -1703.528 where: short stacking energy: -781.783 Base-Backbone interact. energy: -0.938 local terms energy: -857.261272 where: bonds (distance) C4'-P energy: -174.991 bonds (distance) P-C4' energy: -158.915 flat angles C4'-P-C4' energy: -199.266 flat angles P-C4'-P energy: -115.849 tors. eta vs tors. theta energy: -208.240 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: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2306.875926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.875926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.875926 (E_RNA) where: Base-Base interactions energy: -1533.191 where: short stacking energy: -709.707 Base-Backbone interact. energy: -2.849 local terms energy: -770.835269 where: bonds (distance) C4'-P energy: -151.404 bonds (distance) P-C4' energy: -157.122 flat angles C4'-P-C4' energy: -165.998 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -189.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2133.217754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.217754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.217754 (E_RNA) where: Base-Base interactions energy: -1385.767 where: short stacking energy: -623.460 Base-Backbone interact. energy: -1.958 local terms energy: -745.493231 where: bonds (distance) C4'-P energy: -173.632 bonds (distance) P-C4' energy: -150.528 flat angles C4'-P-C4' energy: -180.636 flat angles P-C4'-P energy: -88.247 tors. eta vs tors. theta energy: -152.450 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: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1551.664657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.664657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.664657 (E_RNA) where: Base-Base interactions energy: -887.015 where: short stacking energy: -469.228 Base-Backbone interact. energy: 0.057 local terms energy: -664.706211 where: bonds (distance) C4'-P energy: -141.075 bonds (distance) P-C4' energy: -139.266 flat angles C4'-P-C4' energy: -171.335 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -108.194 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: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1215.563146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.563146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.563146 (E_RNA) where: Base-Base interactions energy: -688.728 where: short stacking energy: -364.732 Base-Backbone interact. energy: 7.983 local terms energy: -534.818480 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -148.070 flat angles C4'-P-C4' energy: -143.715 flat angles P-C4'-P energy: -79.747 tors. eta vs tors. theta energy: -26.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -790.494753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.494753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.494753 (E_RNA) where: Base-Base interactions energy: -343.636 where: short stacking energy: -220.366 Base-Backbone interact. energy: -3.662 local terms energy: -443.196454 where: bonds (distance) C4'-P energy: -141.695 bonds (distance) P-C4' energy: -145.701 flat angles C4'-P-C4' energy: -131.048 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: 33.635 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: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3150.953687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.953687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.953687 (E_RNA) where: Base-Base interactions energy: -2143.194 where: short stacking energy: -987.281 Base-Backbone interact. energy: -3.520 local terms energy: -1004.239634 where: bonds (distance) C4'-P energy: -156.769 bonds (distance) P-C4' energy: -186.122 flat angles C4'-P-C4' energy: -222.795 flat angles P-C4'-P energy: -149.584 tors. eta vs tors. theta energy: -288.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3032.981886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.981886 (E_RNA) where: Base-Base interactions energy: -2066.761 where: short stacking energy: -933.420 Base-Backbone interact. energy: -0.114 local terms energy: -966.106327 where: bonds (distance) C4'-P energy: -168.324 bonds (distance) P-C4' energy: -178.311 flat angles C4'-P-C4' energy: -205.853 flat angles P-C4'-P energy: -140.358 tors. eta vs tors. theta energy: -273.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2864.994428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.994428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.994428 (E_RNA) where: Base-Base interactions energy: -1916.404 where: short stacking energy: -889.482 Base-Backbone interact. energy: -2.371 local terms energy: -946.219976 where: bonds (distance) C4'-P energy: -176.776 bonds (distance) P-C4' energy: -174.951 flat angles C4'-P-C4' energy: -197.858 flat angles P-C4'-P energy: -130.719 tors. eta vs tors. theta energy: -265.915 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: 4, replica: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2827.585878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.585878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.585878 (E_RNA) where: Base-Base interactions energy: -1947.764 where: short stacking energy: -892.216 Base-Backbone interact. energy: -2.167 local terms energy: -877.654306 where: bonds (distance) C4'-P energy: -144.396 bonds (distance) P-C4' energy: -158.694 flat angles C4'-P-C4' energy: -194.982 flat angles P-C4'-P energy: -119.285 tors. eta vs tors. theta energy: -260.298 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: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2544.755696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.755696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.755696 (E_RNA) where: Base-Base interactions energy: -1711.203 where: short stacking energy: -749.373 Base-Backbone interact. energy: -1.024 local terms energy: -832.528764 where: bonds (distance) C4'-P energy: -155.689 bonds (distance) P-C4' energy: -162.961 flat angles C4'-P-C4' energy: -186.856 flat angles P-C4'-P energy: -125.974 tors. eta vs tors. theta energy: -201.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2347.404433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.404433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.404433 (E_RNA) where: Base-Base interactions energy: -1552.660 where: short stacking energy: -707.193 Base-Backbone interact. energy: 1.423 local terms energy: -796.167015 where: bonds (distance) C4'-P energy: -150.272 bonds (distance) P-C4' energy: -171.958 flat angles C4'-P-C4' energy: -163.794 flat angles P-C4'-P energy: -121.519 tors. eta vs tors. theta energy: -188.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2192.140828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.140828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.140828 (E_RNA) where: Base-Base interactions energy: -1436.747 where: short stacking energy: -633.589 Base-Backbone interact. energy: 3.243 local terms energy: -758.637136 where: bonds (distance) C4'-P energy: -159.358 bonds (distance) P-C4' energy: -170.703 flat angles C4'-P-C4' energy: -162.490 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -160.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1555.848616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.848616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.848616 (E_RNA) where: Base-Base interactions energy: -906.619 where: short stacking energy: -456.655 Base-Backbone interact. energy: -1.462 local terms energy: -647.767499 where: bonds (distance) C4'-P energy: -138.895 bonds (distance) P-C4' energy: -148.428 flat angles C4'-P-C4' energy: -163.637 flat angles P-C4'-P energy: -111.182 tors. eta vs tors. theta energy: -85.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1171.676957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.676957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.676957 (E_RNA) where: Base-Base interactions energy: -620.801 where: short stacking energy: -311.880 Base-Backbone interact. energy: -1.263 local terms energy: -549.612426 where: bonds (distance) C4'-P energy: -136.950 bonds (distance) P-C4' energy: -158.252 flat angles C4'-P-C4' energy: -146.268 flat angles P-C4'-P energy: -83.581 tors. eta vs tors. theta energy: -24.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -804.439687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.439687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.439687 (E_RNA) where: Base-Base interactions energy: -337.024 where: short stacking energy: -223.369 Base-Backbone interact. energy: 1.057 local terms energy: -468.472399 where: bonds (distance) C4'-P energy: -147.193 bonds (distance) P-C4' energy: -136.030 flat angles C4'-P-C4' energy: -122.508 flat angles P-C4'-P energy: -82.222 tors. eta vs tors. theta energy: 19.481 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: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3152.962512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.962512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.962512 (E_RNA) where: Base-Base interactions energy: -2118.715 where: short stacking energy: -946.815 Base-Backbone interact. energy: -2.651 local terms energy: -1031.595858 where: bonds (distance) C4'-P energy: -191.263 bonds (distance) P-C4' energy: -200.952 flat angles C4'-P-C4' energy: -210.518 flat angles P-C4'-P energy: -146.780 tors. eta vs tors. theta energy: -282.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3041.549813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.549813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.549813 (E_RNA) where: Base-Base interactions energy: -2059.726 where: short stacking energy: -945.261 Base-Backbone interact. energy: -0.110 local terms energy: -981.714401 where: bonds (distance) C4'-P energy: -142.864 bonds (distance) P-C4' energy: -188.297 flat angles C4'-P-C4' energy: -216.874 flat angles P-C4'-P energy: -149.155 tors. eta vs tors. theta energy: -284.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2876.131507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.131507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.131507 (E_RNA) where: Base-Base interactions energy: -1927.922 where: short stacking energy: -897.630 Base-Backbone interact. energy: -1.441 local terms energy: -946.768155 where: bonds (distance) C4'-P energy: -158.739 bonds (distance) P-C4' energy: -171.735 flat angles C4'-P-C4' energy: -204.882 flat angles P-C4'-P energy: -134.191 tors. eta vs tors. theta energy: -277.221 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: 361 Temperature: 1.050000 Total energy: -2759.807035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.807035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.807035 (E_RNA) where: Base-Base interactions energy: -1863.871 where: short stacking energy: -855.101 Base-Backbone interact. energy: -1.471 local terms energy: -894.464702 where: bonds (distance) C4'-P energy: -158.151 bonds (distance) P-C4' energy: -166.238 flat angles C4'-P-C4' energy: -195.550 flat angles P-C4'-P energy: -123.725 tors. eta vs tors. theta energy: -250.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2588.095533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.095533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.095533 (E_RNA) where: Base-Base interactions energy: -1762.890 where: short stacking energy: -765.701 Base-Backbone interact. energy: 1.515 local terms energy: -826.720626 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -151.148 flat angles C4'-P-C4' energy: -188.352 flat angles P-C4'-P energy: -113.608 tors. eta vs tors. theta energy: -218.224 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: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2407.118107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.118107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.118107 (E_RNA) where: Base-Base interactions energy: -1635.478 where: short stacking energy: -738.895 Base-Backbone interact. energy: 2.612 local terms energy: -774.251313 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -168.092 flat angles C4'-P-C4' energy: -164.482 flat angles P-C4'-P energy: -117.059 tors. eta vs tors. theta energy: -198.833 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: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2212.782698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.782698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.782698 (E_RNA) where: Base-Base interactions energy: -1451.403 where: short stacking energy: -645.098 Base-Backbone interact. energy: -1.712 local terms energy: -759.668532 where: bonds (distance) C4'-P energy: -163.826 bonds (distance) P-C4' energy: -157.211 flat angles C4'-P-C4' energy: -168.258 flat angles P-C4'-P energy: -107.345 tors. eta vs tors. theta energy: -163.029 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: 361 Temperature: 1.250000 Total energy: -1486.581664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.581664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.581664 (E_RNA) where: Base-Base interactions energy: -846.592 where: short stacking energy: -443.794 Base-Backbone interact. energy: 7.546 local terms energy: -647.535773 where: bonds (distance) C4'-P energy: -160.031 bonds (distance) P-C4' energy: -161.284 flat angles C4'-P-C4' energy: -143.359 flat angles P-C4'-P energy: -118.272 tors. eta vs tors. theta energy: -64.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1211.673610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.673610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.673610 (E_RNA) where: Base-Base interactions energy: -669.928 where: short stacking energy: -327.744 Base-Backbone interact. energy: -4.911 local terms energy: -536.834735 where: bonds (distance) C4'-P energy: -137.400 bonds (distance) P-C4' energy: -150.521 flat angles C4'-P-C4' energy: -137.625 flat angles P-C4'-P energy: -87.677 tors. eta vs tors. theta energy: -23.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -874.128201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.128201 (E_RNA) where: Base-Base interactions energy: -408.786 where: short stacking energy: -240.464 Base-Backbone interact. energy: 2.379 local terms energy: -467.720919 where: bonds (distance) C4'-P energy: -161.044 bonds (distance) P-C4' energy: -143.087 flat angles C4'-P-C4' energy: -127.763 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: 36.603 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: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3131.709519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.709519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.709519 (E_RNA) where: Base-Base interactions energy: -2160.299 where: short stacking energy: -971.534 Base-Backbone interact. energy: -5.007 local terms energy: -966.403550 where: bonds (distance) C4'-P energy: -185.810 bonds (distance) P-C4' energy: -175.466 flat angles C4'-P-C4' energy: -197.124 flat angles P-C4'-P energy: -137.214 tors. eta vs tors. theta energy: -270.789 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: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3070.756715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.756715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.756715 (E_RNA) where: Base-Base interactions energy: -2051.504 where: short stacking energy: -923.042 Base-Backbone interact. energy: -4.664 local terms energy: -1014.588099 where: bonds (distance) C4'-P energy: -180.036 bonds (distance) P-C4' energy: -197.256 flat angles C4'-P-C4' energy: -210.349 flat angles P-C4'-P energy: -147.859 tors. eta vs tors. theta energy: -279.089 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: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2859.699199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.699199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.699199 (E_RNA) where: Base-Base interactions energy: -1884.421 where: short stacking energy: -880.724 Base-Backbone interact. energy: -5.311 local terms energy: -969.967398 where: bonds (distance) C4'-P energy: -182.810 bonds (distance) P-C4' energy: -171.224 flat angles C4'-P-C4' energy: -209.841 flat angles P-C4'-P energy: -131.594 tors. eta vs tors. theta energy: -274.499 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: 362 Temperature: 1.050000 Total energy: -2675.791900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.791900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.791900 (E_RNA) where: Base-Base interactions energy: -1822.202 where: short stacking energy: -829.827 Base-Backbone interact. energy: -6.674 local terms energy: -846.916224 where: bonds (distance) C4'-P energy: -148.142 bonds (distance) P-C4' energy: -167.572 flat angles C4'-P-C4' energy: -168.821 flat angles P-C4'-P energy: -130.566 tors. eta vs tors. theta energy: -231.815 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: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2618.296574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.296574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.296574 (E_RNA) where: Base-Base interactions energy: -1734.933 where: short stacking energy: -777.429 Base-Backbone interact. energy: 0.245 local terms energy: -883.608428 where: bonds (distance) C4'-P energy: -160.840 bonds (distance) P-C4' energy: -178.868 flat angles C4'-P-C4' energy: -197.132 flat angles P-C4'-P energy: -124.228 tors. eta vs tors. theta energy: -222.540 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: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2412.763864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.763864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.763864 (E_RNA) where: Base-Base interactions energy: -1623.212 where: short stacking energy: -722.668 Base-Backbone interact. energy: -0.943 local terms energy: -788.608440 where: bonds (distance) C4'-P energy: -155.199 bonds (distance) P-C4' energy: -149.634 flat angles C4'-P-C4' energy: -187.629 flat angles P-C4'-P energy: -101.077 tors. eta vs tors. theta energy: -195.070 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: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2153.192552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.192552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.192552 (E_RNA) where: Base-Base interactions energy: -1434.535 where: short stacking energy: -594.871 Base-Backbone interact. energy: -2.465 local terms energy: -716.192764 where: bonds (distance) C4'-P energy: -133.349 bonds (distance) P-C4' energy: -157.161 flat angles C4'-P-C4' energy: -174.761 flat angles P-C4'-P energy: -104.799 tors. eta vs tors. theta energy: -146.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1453.343738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.343738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.343738 (E_RNA) where: Base-Base interactions energy: -813.165 where: short stacking energy: -427.998 Base-Backbone interact. energy: 0.655 local terms energy: -640.834160 where: bonds (distance) C4'-P energy: -149.690 bonds (distance) P-C4' energy: -180.607 flat angles C4'-P-C4' energy: -134.277 flat angles P-C4'-P energy: -99.998 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: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1203.314638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.314638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.314638 (E_RNA) where: Base-Base interactions energy: -669.482 where: short stacking energy: -347.151 Base-Backbone interact. energy: -0.180 local terms energy: -533.653266 where: bonds (distance) C4'-P energy: -134.559 bonds (distance) P-C4' energy: -152.049 flat angles C4'-P-C4' energy: -153.333 flat angles P-C4'-P energy: -70.743 tors. eta vs tors. theta energy: -22.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -799.651187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.651187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.651187 (E_RNA) where: Base-Base interactions energy: -353.478 where: short stacking energy: -228.192 Base-Backbone interact. energy: 7.304 local terms energy: -453.477293 where: bonds (distance) C4'-P energy: -120.586 bonds (distance) P-C4' energy: -169.399 flat angles C4'-P-C4' energy: -120.065 flat angles P-C4'-P energy: -71.954 tors. eta vs tors. theta energy: 28.526 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: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3111.199186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.199186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.199186 (E_RNA) where: Base-Base interactions energy: -2121.607 where: short stacking energy: -937.200 Base-Backbone interact. energy: 4.100 local terms energy: -993.692280 where: bonds (distance) C4'-P energy: -176.103 bonds (distance) P-C4' energy: -192.927 flat angles C4'-P-C4' energy: -216.465 flat angles P-C4'-P energy: -131.519 tors. eta vs tors. theta energy: -276.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3003.478961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.478961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.478961 (E_RNA) where: Base-Base interactions energy: -2034.412 where: short stacking energy: -901.817 Base-Backbone interact. energy: -3.498 local terms energy: -965.569056 where: bonds (distance) C4'-P energy: -187.053 bonds (distance) P-C4' energy: -167.805 flat angles C4'-P-C4' energy: -201.490 flat angles P-C4'-P energy: -146.486 tors. eta vs tors. theta energy: -262.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2847.655204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.655204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.655204 (E_RNA) where: Base-Base interactions energy: -1915.777 where: short stacking energy: -888.293 Base-Backbone interact. energy: -0.958 local terms energy: -930.919743 where: bonds (distance) C4'-P energy: -188.097 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -195.902 flat angles P-C4'-P energy: -133.247 tors. eta vs tors. theta energy: -257.253 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: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2713.155781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.155781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.155781 (E_RNA) where: Base-Base interactions energy: -1801.704 where: short stacking energy: -835.463 Base-Backbone interact. energy: -4.187 local terms energy: -907.264289 where: bonds (distance) C4'-P energy: -167.541 bonds (distance) P-C4' energy: -174.137 flat angles C4'-P-C4' energy: -187.168 flat angles P-C4'-P energy: -132.645 tors. eta vs tors. theta energy: -245.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2575.940333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.940333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.940333 (E_RNA) where: Base-Base interactions energy: -1716.370 where: short stacking energy: -765.312 Base-Backbone interact. energy: 1.166 local terms energy: -860.736645 where: bonds (distance) C4'-P energy: -151.727 bonds (distance) P-C4' energy: -170.715 flat angles C4'-P-C4' energy: -186.859 flat angles P-C4'-P energy: -127.912 tors. eta vs tors. theta energy: -223.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2395.232035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.232035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.232035 (E_RNA) where: Base-Base interactions energy: -1612.965 where: short stacking energy: -713.314 Base-Backbone interact. energy: 3.548 local terms energy: -785.814969 where: bonds (distance) C4'-P energy: -173.950 bonds (distance) P-C4' energy: -148.017 flat angles C4'-P-C4' energy: -177.228 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -189.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2031.523072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.523072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.523072 (E_RNA) where: Base-Base interactions energy: -1340.487 where: short stacking energy: -606.451 Base-Backbone interact. energy: -2.895 local terms energy: -688.140879 where: bonds (distance) C4'-P energy: -148.527 bonds (distance) P-C4' energy: -162.879 flat angles C4'-P-C4' energy: -139.452 flat angles P-C4'-P energy: -102.164 tors. eta vs tors. theta energy: -135.119 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: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1471.200322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.200322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.200322 (E_RNA) where: Base-Base interactions energy: -841.926 where: short stacking energy: -454.680 Base-Backbone interact. energy: -0.041 local terms energy: -629.233690 where: bonds (distance) C4'-P energy: -121.744 bonds (distance) P-C4' energy: -146.904 flat angles C4'-P-C4' energy: -181.702 flat angles P-C4'-P energy: -87.864 tors. eta vs tors. theta energy: -91.019 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: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1223.157696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.157696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.157696 (E_RNA) where: Base-Base interactions energy: -695.549 where: short stacking energy: -344.067 Base-Backbone interact. energy: 0.414 local terms energy: -528.022722 where: bonds (distance) C4'-P energy: -140.004 bonds (distance) P-C4' energy: -156.611 flat angles C4'-P-C4' energy: -155.787 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -26.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -843.632883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.632883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.632883 (E_RNA) where: Base-Base interactions energy: -369.047 where: short stacking energy: -267.470 Base-Backbone interact. energy: 4.204 local terms energy: -478.789296 where: bonds (distance) C4'-P energy: -135.733 bonds (distance) P-C4' energy: -154.222 flat angles C4'-P-C4' energy: -139.433 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: 4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3154.863189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.863189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.863189 (E_RNA) where: Base-Base interactions energy: -2166.959 where: short stacking energy: -966.194 Base-Backbone interact. energy: -3.669 local terms energy: -984.234724 where: bonds (distance) C4'-P energy: -168.966 bonds (distance) P-C4' energy: -197.532 flat angles C4'-P-C4' energy: -215.090 flat angles P-C4'-P energy: -118.934 tors. eta vs tors. theta energy: -283.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3011.728447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.728447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.728447 (E_RNA) where: Base-Base interactions energy: -2035.786 where: short stacking energy: -905.156 Base-Backbone interact. energy: -3.290 local terms energy: -972.652878 where: bonds (distance) C4'-P energy: -187.177 bonds (distance) P-C4' energy: -173.335 flat angles C4'-P-C4' energy: -203.799 flat angles P-C4'-P energy: -140.936 tors. eta vs tors. theta energy: -267.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2834.806903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.806903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.806903 (E_RNA) where: Base-Base interactions energy: -1906.799 where: short stacking energy: -860.128 Base-Backbone interact. energy: -3.566 local terms energy: -924.441141 where: bonds (distance) C4'-P energy: -171.685 bonds (distance) P-C4' energy: -173.849 flat angles C4'-P-C4' energy: -202.491 flat angles P-C4'-P energy: -118.735 tors. eta vs tors. theta energy: -257.681 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: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2735.697735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.697735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.697735 (E_RNA) where: Base-Base interactions energy: -1835.809 where: short stacking energy: -839.229 Base-Backbone interact. energy: 0.209 local terms energy: -900.097507 where: bonds (distance) C4'-P energy: -164.182 bonds (distance) P-C4' energy: -167.971 flat angles C4'-P-C4' energy: -195.868 flat angles P-C4'-P energy: -138.280 tors. eta vs tors. theta energy: -233.797 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: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2659.641051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.641051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.641051 (E_RNA) where: Base-Base interactions energy: -1793.478 where: short stacking energy: -810.913 Base-Backbone interact. energy: 1.619 local terms energy: -867.781414 where: bonds (distance) C4'-P energy: -177.971 bonds (distance) P-C4' energy: -161.396 flat angles C4'-P-C4' energy: -191.284 flat angles P-C4'-P energy: -104.777 tors. eta vs tors. theta energy: -232.353 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: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2420.920881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.920881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.920881 (E_RNA) where: Base-Base interactions energy: -1613.404 where: short stacking energy: -713.231 Base-Backbone interact. energy: -2.885 local terms energy: -804.631713 where: bonds (distance) C4'-P energy: -140.792 bonds (distance) P-C4' energy: -169.458 flat angles C4'-P-C4' energy: -163.404 flat angles P-C4'-P energy: -128.329 tors. eta vs tors. theta energy: -202.649 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: 7, replica: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1982.929616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.929616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.929616 (E_RNA) where: Base-Base interactions energy: -1263.796 where: short stacking energy: -588.198 Base-Backbone interact. energy: -4.505 local terms energy: -714.629378 where: bonds (distance) C4'-P energy: -169.014 bonds (distance) P-C4' energy: -160.753 flat angles C4'-P-C4' energy: -163.896 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -137.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1480.627629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.627629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.627629 (E_RNA) where: Base-Base interactions energy: -857.728 where: short stacking energy: -474.537 Base-Backbone interact. energy: -2.498 local terms energy: -620.401141 where: bonds (distance) C4'-P energy: -134.318 bonds (distance) P-C4' energy: -160.798 flat angles C4'-P-C4' energy: -151.853 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -77.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1275.966903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.966903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.966903 (E_RNA) where: Base-Base interactions energy: -694.542 where: short stacking energy: -380.510 Base-Backbone interact. energy: 6.112 local terms energy: -587.536534 where: bonds (distance) C4'-P energy: -161.292 bonds (distance) P-C4' energy: -153.911 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -94.096 tors. eta vs tors. theta energy: -45.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -808.361103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.361103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.361103 (E_RNA) where: Base-Base interactions energy: -364.228 where: short stacking energy: -240.027 Base-Backbone interact. energy: -0.351 local terms energy: -443.781673 where: bonds (distance) C4'-P energy: -141.229 bonds (distance) P-C4' energy: -135.279 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: 16.670 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3177.208148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.208148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.208148 (E_RNA) where: Base-Base interactions energy: -2180.940 where: short stacking energy: -965.660 Base-Backbone interact. energy: -1.992 local terms energy: -994.276889 where: bonds (distance) C4'-P energy: -183.348 bonds (distance) P-C4' energy: -178.111 flat angles C4'-P-C4' energy: -214.491 flat angles P-C4'-P energy: -146.498 tors. eta vs tors. theta energy: -271.829 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: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3034.176404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.176404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.176404 (E_RNA) where: Base-Base interactions energy: -2054.810 where: short stacking energy: -960.047 Base-Backbone interact. energy: -3.988 local terms energy: -975.378519 where: bonds (distance) C4'-P energy: -170.510 bonds (distance) P-C4' energy: -171.992 flat angles C4'-P-C4' energy: -203.706 flat angles P-C4'-P energy: -153.775 tors. eta vs tors. theta energy: -275.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2850.129417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.129417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.129417 (E_RNA) where: Base-Base interactions energy: -1933.382 where: short stacking energy: -888.806 Base-Backbone interact. energy: -4.996 local terms energy: -911.751006 where: bonds (distance) C4'-P energy: -168.880 bonds (distance) P-C4' energy: -158.443 flat angles C4'-P-C4' energy: -196.465 flat angles P-C4'-P energy: -125.091 tors. eta vs tors. theta energy: -262.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2753.131731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.131731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.131731 (E_RNA) where: Base-Base interactions energy: -1868.462 where: short stacking energy: -830.951 Base-Backbone interact. energy: -1.924 local terms energy: -882.746154 where: bonds (distance) C4'-P energy: -158.567 bonds (distance) P-C4' energy: -166.637 flat angles C4'-P-C4' energy: -185.415 flat angles P-C4'-P energy: -128.593 tors. eta vs tors. theta energy: -243.534 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: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2590.364792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.364792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.364792 (E_RNA) where: Base-Base interactions energy: -1751.062 where: short stacking energy: -745.530 Base-Backbone interact. energy: 5.182 local terms energy: -844.484330 where: bonds (distance) C4'-P energy: -183.908 bonds (distance) P-C4' energy: -149.786 flat angles C4'-P-C4' energy: -179.440 flat angles P-C4'-P energy: -113.679 tors. eta vs tors. theta energy: -217.670 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: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2551.944382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.944382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.944382 (E_RNA) where: Base-Base interactions energy: -1715.229 where: short stacking energy: -757.042 Base-Backbone interact. energy: -3.387 local terms energy: -833.328489 where: bonds (distance) C4'-P energy: -163.563 bonds (distance) P-C4' energy: -157.775 flat angles C4'-P-C4' energy: -181.966 flat angles P-C4'-P energy: -105.901 tors. eta vs tors. theta energy: -224.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2094.798451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.798451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.798451 (E_RNA) where: Base-Base interactions energy: -1406.314 where: short stacking energy: -634.297 Base-Backbone interact. energy: -0.823 local terms energy: -687.661543 where: bonds (distance) C4'-P energy: -101.629 bonds (distance) P-C4' energy: -144.046 flat angles C4'-P-C4' energy: -162.116 flat angles P-C4'-P energy: -110.135 tors. eta vs tors. theta energy: -169.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1548.363293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.363293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.363293 (E_RNA) where: Base-Base interactions energy: -903.166 where: short stacking energy: -455.900 Base-Backbone interact. energy: -2.558 local terms energy: -642.639896 where: bonds (distance) C4'-P energy: -144.962 bonds (distance) P-C4' energy: -160.756 flat angles C4'-P-C4' energy: -160.830 flat angles P-C4'-P energy: -102.682 tors. eta vs tors. theta energy: -73.410 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: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1350.774491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.774491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.774491 (E_RNA) where: Base-Base interactions energy: -797.478 where: short stacking energy: -378.621 Base-Backbone interact. energy: 0.280 local terms energy: -553.577025 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -141.675 flat angles C4'-P-C4' energy: -138.709 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -54.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -840.297351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.297351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.297351 (E_RNA) where: Base-Base interactions energy: -398.312 where: short stacking energy: -231.390 Base-Backbone interact. energy: -2.842 local terms energy: -439.142846 where: bonds (distance) C4'-P energy: -147.149 bonds (distance) P-C4' energy: -149.569 flat angles C4'-P-C4' energy: -142.449 flat angles P-C4'-P energy: -29.428 tors. eta vs tors. theta energy: 29.453 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: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3161.481724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.481724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.481724 (E_RNA) where: Base-Base interactions energy: -2162.725 where: short stacking energy: -979.103 Base-Backbone interact. energy: -3.675 local terms energy: -995.082345 where: bonds (distance) C4'-P energy: -172.138 bonds (distance) P-C4' energy: -192.376 flat angles C4'-P-C4' energy: -216.887 flat angles P-C4'-P energy: -132.557 tors. eta vs tors. theta energy: -281.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3022.028078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.028078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.028078 (E_RNA) where: Base-Base interactions energy: -2034.128 where: short stacking energy: -947.153 Base-Backbone interact. energy: 5.031 local terms energy: -992.930869 where: bonds (distance) C4'-P energy: -177.746 bonds (distance) P-C4' energy: -186.229 flat angles C4'-P-C4' energy: -201.580 flat angles P-C4'-P energy: -144.873 tors. eta vs tors. theta energy: -282.503 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: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2898.145587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.145587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.145587 (E_RNA) where: Base-Base interactions energy: -1944.960 where: short stacking energy: -880.452 Base-Backbone interact. energy: -1.342 local terms energy: -951.843112 where: bonds (distance) C4'-P energy: -178.513 bonds (distance) P-C4' energy: -167.768 flat angles C4'-P-C4' energy: -206.769 flat angles P-C4'-P energy: -136.068 tors. eta vs tors. theta energy: -262.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2702.345304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.345304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.345304 (E_RNA) where: Base-Base interactions energy: -1849.172 where: short stacking energy: -818.210 Base-Backbone interact. energy: -1.859 local terms energy: -851.313735 where: bonds (distance) C4'-P energy: -149.606 bonds (distance) P-C4' energy: -167.304 flat angles C4'-P-C4' energy: -175.481 flat angles P-C4'-P energy: -128.008 tors. eta vs tors. theta energy: -230.915 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: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2637.160045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.160045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.160045 (E_RNA) where: Base-Base interactions energy: -1791.524 where: short stacking energy: -799.770 Base-Backbone interact. energy: 5.932 local terms energy: -851.568086 where: bonds (distance) C4'-P energy: -154.371 bonds (distance) P-C4' energy: -166.380 flat angles C4'-P-C4' energy: -183.849 flat angles P-C4'-P energy: -124.032 tors. eta vs tors. theta energy: -222.936 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: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2394.438115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.438115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.438115 (E_RNA) where: Base-Base interactions energy: -1598.294 where: short stacking energy: -731.763 Base-Backbone interact. energy: -3.330 local terms energy: -792.814054 where: bonds (distance) C4'-P energy: -159.039 bonds (distance) P-C4' energy: -131.380 flat angles C4'-P-C4' energy: -182.425 flat angles P-C4'-P energy: -112.393 tors. eta vs tors. theta energy: -207.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2076.804234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.804234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.804234 (E_RNA) where: Base-Base interactions energy: -1371.807 where: short stacking energy: -621.840 Base-Backbone interact. energy: -3.842 local terms energy: -701.155879 where: bonds (distance) C4'-P energy: -141.777 bonds (distance) P-C4' energy: -153.231 flat angles C4'-P-C4' energy: -153.946 flat angles P-C4'-P energy: -95.298 tors. eta vs tors. theta energy: -156.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1453.753957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.753957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.753957 (E_RNA) where: Base-Base interactions energy: -905.960 where: short stacking energy: -456.416 Base-Backbone interact. energy: 0.568 local terms energy: -548.362689 where: bonds (distance) C4'-P energy: -141.662 bonds (distance) P-C4' energy: -115.699 flat angles C4'-P-C4' energy: -146.002 flat angles P-C4'-P energy: -88.089 tors. eta vs tors. theta energy: -56.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1268.912378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.912378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.912378 (E_RNA) where: Base-Base interactions energy: -677.335 where: short stacking energy: -333.086 Base-Backbone interact. energy: -1.936 local terms energy: -589.641165 where: bonds (distance) C4'-P energy: -154.890 bonds (distance) P-C4' energy: -171.079 flat angles C4'-P-C4' energy: -146.955 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -37.942 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -888.680751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.680751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.680751 (E_RNA) where: Base-Base interactions energy: -424.591 where: short stacking energy: -273.362 Base-Backbone interact. energy: 0.849 local terms energy: -464.938780 where: bonds (distance) C4'-P energy: -125.598 bonds (distance) P-C4' energy: -145.498 flat angles C4'-P-C4' energy: -130.977 flat angles P-C4'-P energy: -67.594 tors. eta vs tors. theta energy: 4.729 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: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3168.742105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.742105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.742105 (E_RNA) where: Base-Base interactions energy: -2146.856 where: short stacking energy: -983.109 Base-Backbone interact. energy: -4.690 local terms energy: -1017.196531 where: bonds (distance) C4'-P energy: -184.521 bonds (distance) P-C4' energy: -180.631 flat angles C4'-P-C4' energy: -208.982 flat angles P-C4'-P energy: -158.078 tors. eta vs tors. theta energy: -284.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3019.462467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.462467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.462467 (E_RNA) where: Base-Base interactions energy: -2044.669 where: short stacking energy: -951.549 Base-Backbone interact. energy: 2.173 local terms energy: -976.966994 where: bonds (distance) C4'-P energy: -180.681 bonds (distance) P-C4' energy: -179.392 flat angles C4'-P-C4' energy: -203.762 flat angles P-C4'-P energy: -135.506 tors. eta vs tors. theta energy: -277.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2877.949686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.949686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.949686 (E_RNA) where: Base-Base interactions energy: -1958.705 where: short stacking energy: -897.104 Base-Backbone interact. energy: -5.762 local terms energy: -913.483646 where: bonds (distance) C4'-P energy: -149.483 bonds (distance) P-C4' energy: -169.166 flat angles C4'-P-C4' energy: -197.396 flat angles P-C4'-P energy: -118.242 tors. eta vs tors. theta energy: -279.197 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: 367 Temperature: 1.050000 Total energy: -2734.583106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.583106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.583106 (E_RNA) where: Base-Base interactions energy: -1828.489 where: short stacking energy: -817.230 Base-Backbone interact. energy: -2.114 local terms energy: -903.980869 where: bonds (distance) C4'-P energy: -163.385 bonds (distance) P-C4' energy: -177.391 flat angles C4'-P-C4' energy: -181.196 flat angles P-C4'-P energy: -130.831 tors. eta vs tors. theta energy: -251.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2609.149758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.149758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.149758 (E_RNA) where: Base-Base interactions energy: -1764.594 where: short stacking energy: -791.327 Base-Backbone interact. energy: 1.447 local terms energy: -846.002584 where: bonds (distance) C4'-P energy: -159.608 bonds (distance) P-C4' energy: -163.112 flat angles C4'-P-C4' energy: -184.068 flat angles P-C4'-P energy: -114.136 tors. eta vs tors. theta energy: -225.079 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: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2365.100172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.100172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.100172 (E_RNA) where: Base-Base interactions energy: -1583.560 where: short stacking energy: -702.988 Base-Backbone interact. energy: -3.707 local terms energy: -777.833282 where: bonds (distance) C4'-P energy: -164.006 bonds (distance) P-C4' energy: -163.321 flat angles C4'-P-C4' energy: -163.807 flat angles P-C4'-P energy: -99.199 tors. eta vs tors. theta energy: -187.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2003.417707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.417707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.417707 (E_RNA) where: Base-Base interactions energy: -1317.984 where: short stacking energy: -592.348 Base-Backbone interact. energy: 2.653 local terms energy: -688.087330 where: bonds (distance) C4'-P energy: -146.219 bonds (distance) P-C4' energy: -138.572 flat angles C4'-P-C4' energy: -151.204 flat angles P-C4'-P energy: -100.137 tors. eta vs tors. theta energy: -151.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1492.986592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.986592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.986592 (E_RNA) where: Base-Base interactions energy: -877.425 where: short stacking energy: -445.562 Base-Backbone interact. energy: -2.054 local terms energy: -613.507293 where: bonds (distance) C4'-P energy: -149.172 bonds (distance) P-C4' energy: -147.946 flat angles C4'-P-C4' energy: -154.164 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -76.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1103.288416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.288416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.288416 (E_RNA) where: Base-Base interactions energy: -558.958 where: short stacking energy: -328.746 Base-Backbone interact. energy: -1.032 local terms energy: -543.298124 where: bonds (distance) C4'-P energy: -151.481 bonds (distance) P-C4' energy: -146.127 flat angles C4'-P-C4' energy: -151.247 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -21.591 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: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -788.650827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.650827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.650827 (E_RNA) where: Base-Base interactions energy: -319.701 where: short stacking energy: -206.506 Base-Backbone interact. energy: -1.596 local terms energy: -467.353796 where: bonds (distance) C4'-P energy: -144.546 bonds (distance) P-C4' energy: -146.917 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: 23.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3153.710229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.710229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.710229 (E_RNA) where: Base-Base interactions energy: -2128.422 where: short stacking energy: -940.293 Base-Backbone interact. energy: -4.621 local terms energy: -1020.666822 where: bonds (distance) C4'-P energy: -191.777 bonds (distance) P-C4' energy: -174.092 flat angles C4'-P-C4' energy: -215.266 flat angles P-C4'-P energy: -147.685 tors. eta vs tors. theta energy: -291.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2979.233806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.233806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.233806 (E_RNA) where: Base-Base interactions energy: -2013.407 where: short stacking energy: -933.579 Base-Backbone interact. energy: -5.703 local terms energy: -960.123849 where: bonds (distance) C4'-P energy: -162.636 bonds (distance) P-C4' energy: -166.630 flat angles C4'-P-C4' energy: -218.562 flat angles P-C4'-P energy: -127.335 tors. eta vs tors. theta energy: -284.961 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: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2871.804562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.804562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.804562 (E_RNA) where: Base-Base interactions energy: -1917.670 where: short stacking energy: -911.229 Base-Backbone interact. energy: -3.062 local terms energy: -951.071958 where: bonds (distance) C4'-P energy: -171.517 bonds (distance) P-C4' energy: -182.902 flat angles C4'-P-C4' energy: -200.831 flat angles P-C4'-P energy: -129.517 tors. eta vs tors. theta energy: -266.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2726.928917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.928917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.928917 (E_RNA) where: Base-Base interactions energy: -1824.367 where: short stacking energy: -834.490 Base-Backbone interact. energy: -4.428 local terms energy: -898.133216 where: bonds (distance) C4'-P energy: -179.759 bonds (distance) P-C4' energy: -155.221 flat angles C4'-P-C4' energy: -190.027 flat angles P-C4'-P energy: -110.290 tors. eta vs tors. theta energy: -262.836 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: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2577.861406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.861406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.861406 (E_RNA) where: Base-Base interactions energy: -1740.727 where: short stacking energy: -798.471 Base-Backbone interact. energy: 1.668 local terms energy: -838.802382 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -164.417 flat angles C4'-P-C4' energy: -191.948 flat angles P-C4'-P energy: -115.787 tors. eta vs tors. theta energy: -226.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2376.942614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.942614 (E_RNA) where: Base-Base interactions energy: -1587.565 where: short stacking energy: -735.389 Base-Backbone interact. energy: -4.258 local terms energy: -785.119632 where: bonds (distance) C4'-P energy: -155.742 bonds (distance) P-C4' energy: -154.262 flat angles C4'-P-C4' energy: -176.118 flat angles P-C4'-P energy: -106.821 tors. eta vs tors. theta energy: -192.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2027.577886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.577886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.577886 (E_RNA) where: Base-Base interactions energy: -1309.065 where: short stacking energy: -574.865 Base-Backbone interact. energy: -0.101 local terms energy: -718.411848 where: bonds (distance) C4'-P energy: -173.012 bonds (distance) P-C4' energy: -159.425 flat angles C4'-P-C4' energy: -161.550 flat angles P-C4'-P energy: -79.990 tors. eta vs tors. theta energy: -144.435 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: 8, replica: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1572.609198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.609198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.609198 (E_RNA) where: Base-Base interactions energy: -969.227 where: short stacking energy: -457.832 Base-Backbone interact. energy: -1.723 local terms energy: -601.659033 where: bonds (distance) C4'-P energy: -124.481 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -149.352 flat angles P-C4'-P energy: -86.849 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: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1128.994966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.994966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.994966 (E_RNA) where: Base-Base interactions energy: -596.998 where: short stacking energy: -319.976 Base-Backbone interact. energy: 4.910 local terms energy: -536.907008 where: bonds (distance) C4'-P energy: -154.162 bonds (distance) P-C4' energy: -154.753 flat angles C4'-P-C4' energy: -132.717 flat angles P-C4'-P energy: -70.850 tors. eta vs tors. theta energy: -24.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -778.779897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.779897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.779897 (E_RNA) where: Base-Base interactions energy: -285.182 where: short stacking energy: -193.610 Base-Backbone interact. energy: 2.037 local terms energy: -495.634698 where: bonds (distance) C4'-P energy: -169.067 bonds (distance) P-C4' energy: -148.699 flat angles C4'-P-C4' energy: -115.631 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: 11.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3177.783686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.783686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.783686 (E_RNA) where: Base-Base interactions energy: -2148.056 where: short stacking energy: -946.167 Base-Backbone interact. energy: -3.568 local terms energy: -1026.159480 where: bonds (distance) C4'-P energy: -204.768 bonds (distance) P-C4' energy: -181.309 flat angles C4'-P-C4' energy: -212.659 flat angles P-C4'-P energy: -146.696 tors. eta vs tors. theta energy: -280.728 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: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2950.047810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.047810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.047810 (E_RNA) where: Base-Base interactions energy: -2006.747 where: short stacking energy: -923.471 Base-Backbone interact. energy: -2.828 local terms energy: -940.472587 where: bonds (distance) C4'-P energy: -157.418 bonds (distance) P-C4' energy: -171.095 flat angles C4'-P-C4' energy: -202.687 flat angles P-C4'-P energy: -128.113 tors. eta vs tors. theta energy: -281.161 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2943.976548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.976548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.976548 (E_RNA) where: Base-Base interactions energy: -1979.122 where: short stacking energy: -898.038 Base-Backbone interact. energy: -0.152 local terms energy: -964.702621 where: bonds (distance) C4'-P energy: -166.744 bonds (distance) P-C4' energy: -181.912 flat angles C4'-P-C4' energy: -200.653 flat angles P-C4'-P energy: -138.961 tors. eta vs tors. theta energy: -276.433 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: 369 Temperature: 1.050000 Total energy: -2722.620879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.620879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.620879 (E_RNA) where: Base-Base interactions energy: -1807.115 where: short stacking energy: -819.039 Base-Backbone interact. energy: -6.280 local terms energy: -909.226250 where: bonds (distance) C4'-P energy: -164.931 bonds (distance) P-C4' energy: -167.969 flat angles C4'-P-C4' energy: -209.091 flat angles P-C4'-P energy: -128.956 tors. eta vs tors. theta energy: -238.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2608.785993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.785993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.785993 (E_RNA) where: Base-Base interactions energy: -1743.125 where: short stacking energy: -822.984 Base-Backbone interact. energy: -2.246 local terms energy: -863.415112 where: bonds (distance) C4'-P energy: -163.109 bonds (distance) P-C4' energy: -151.713 flat angles C4'-P-C4' energy: -191.632 flat angles P-C4'-P energy: -113.995 tors. eta vs tors. theta energy: -242.965 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: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2435.019278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.019278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.019278 (E_RNA) where: Base-Base interactions energy: -1653.765 where: short stacking energy: -763.687 Base-Backbone interact. energy: -0.252 local terms energy: -781.001812 where: bonds (distance) C4'-P energy: -135.275 bonds (distance) P-C4' energy: -136.346 flat angles C4'-P-C4' energy: -182.069 flat angles P-C4'-P energy: -115.769 tors. eta vs tors. theta energy: -211.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1933.450069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.450069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.450069 (E_RNA) where: Base-Base interactions energy: -1221.772 where: short stacking energy: -579.053 Base-Backbone interact. energy: -2.185 local terms energy: -709.493800 where: bonds (distance) C4'-P energy: -161.050 bonds (distance) P-C4' energy: -163.492 flat angles C4'-P-C4' energy: -156.113 flat angles P-C4'-P energy: -105.973 tors. eta vs tors. theta energy: -122.866 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: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1559.102504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.102504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.102504 (E_RNA) where: Base-Base interactions energy: -921.019 where: short stacking energy: -462.877 Base-Backbone interact. energy: -2.367 local terms energy: -635.716597 where: bonds (distance) C4'-P energy: -144.220 bonds (distance) P-C4' energy: -161.705 flat angles C4'-P-C4' energy: -159.630 flat angles P-C4'-P energy: -89.690 tors. eta vs tors. theta energy: -80.472 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: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1148.842070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.842070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.842070 (E_RNA) where: Base-Base interactions energy: -608.711 where: short stacking energy: -317.776 Base-Backbone interact. energy: -4.069 local terms energy: -536.061937 where: bonds (distance) C4'-P energy: -123.396 bonds (distance) P-C4' energy: -153.274 flat angles C4'-P-C4' energy: -154.198 flat angles P-C4'-P energy: -78.499 tors. eta vs tors. theta energy: -26.695 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -775.275064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.275064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.275064 (E_RNA) where: Base-Base interactions energy: -358.093 where: short stacking energy: -236.517 Base-Backbone interact. energy: -2.179 local terms energy: -415.002320 where: bonds (distance) C4'-P energy: -151.437 bonds (distance) P-C4' energy: -138.773 flat angles C4'-P-C4' energy: -111.308 flat angles P-C4'-P energy: -38.740 tors. eta vs tors. theta energy: 25.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3198.537133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.537133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.537133 (E_RNA) where: Base-Base interactions energy: -2195.938 where: short stacking energy: -967.884 Base-Backbone interact. energy: 0.219 local terms energy: -1002.818412 where: bonds (distance) C4'-P energy: -183.339 bonds (distance) P-C4' energy: -183.602 flat angles C4'-P-C4' energy: -203.565 flat angles P-C4'-P energy: -144.852 tors. eta vs tors. theta energy: -287.460 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: 6 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2973.288529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.288529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.288529 (E_RNA) where: Base-Base interactions energy: -1996.135 where: short stacking energy: -898.628 Base-Backbone interact. energy: -4.220 local terms energy: -972.934128 where: bonds (distance) C4'-P energy: -174.788 bonds (distance) P-C4' energy: -172.974 flat angles C4'-P-C4' energy: -210.627 flat angles P-C4'-P energy: -138.892 tors. eta vs tors. theta energy: -275.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2933.871604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.871604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.871604 (E_RNA) where: Base-Base interactions energy: -1987.772 where: short stacking energy: -912.480 Base-Backbone interact. energy: -2.052 local terms energy: -944.047932 where: bonds (distance) C4'-P energy: -161.315 bonds (distance) P-C4' energy: -178.218 flat angles C4'-P-C4' energy: -195.934 flat angles P-C4'-P energy: -138.673 tors. eta vs tors. theta energy: -269.907 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2682.699008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.699008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.699008 (E_RNA) where: Base-Base interactions energy: -1765.919 where: short stacking energy: -803.012 Base-Backbone interact. energy: -3.404 local terms energy: -913.376496 where: bonds (distance) C4'-P energy: -176.134 bonds (distance) P-C4' energy: -167.767 flat angles C4'-P-C4' energy: -210.512 flat angles P-C4'-P energy: -138.917 tors. eta vs tors. theta energy: -220.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2546.601114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.601114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.601114 (E_RNA) where: Base-Base interactions energy: -1697.306 where: short stacking energy: -765.690 Base-Backbone interact. energy: 3.490 local terms energy: -852.784834 where: bonds (distance) C4'-P energy: -168.699 bonds (distance) P-C4' energy: -151.574 flat angles C4'-P-C4' energy: -192.675 flat angles P-C4'-P energy: -106.200 tors. eta vs tors. theta energy: -233.637 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: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2445.650607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.650607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.650607 (E_RNA) where: Base-Base interactions energy: -1650.806 where: short stacking energy: -733.774 Base-Backbone interact. energy: -6.021 local terms energy: -788.824281 where: bonds (distance) C4'-P energy: -151.178 bonds (distance) P-C4' energy: -151.282 flat angles C4'-P-C4' energy: -176.792 flat angles P-C4'-P energy: -109.671 tors. eta vs tors. theta energy: -199.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2018.820620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.820620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.820620 (E_RNA) where: Base-Base interactions energy: -1288.359 where: short stacking energy: -610.871 Base-Backbone interact. energy: 3.606 local terms energy: -734.068420 where: bonds (distance) C4'-P energy: -134.911 bonds (distance) P-C4' energy: -153.718 flat angles C4'-P-C4' energy: -181.004 flat angles P-C4'-P energy: -112.580 tors. eta vs tors. theta energy: -151.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1549.056427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.056427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.056427 (E_RNA) where: Base-Base interactions energy: -901.557 where: short stacking energy: -439.159 Base-Backbone interact. energy: -0.959 local terms energy: -646.540214 where: bonds (distance) C4'-P energy: -158.803 bonds (distance) P-C4' energy: -165.397 flat angles C4'-P-C4' energy: -174.321 flat angles P-C4'-P energy: -90.725 tors. eta vs tors. theta energy: -57.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1194.313000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.313000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.313000 (E_RNA) where: Base-Base interactions energy: -687.214 where: short stacking energy: -353.807 Base-Backbone interact. energy: -0.217 local terms energy: -506.882902 where: bonds (distance) C4'-P energy: -134.439 bonds (distance) P-C4' energy: -153.842 flat angles C4'-P-C4' energy: -120.033 flat angles P-C4'-P energy: -86.505 tors. eta vs tors. theta energy: -12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -766.704326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.704326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.704326 (E_RNA) where: Base-Base interactions energy: -329.121 where: short stacking energy: -264.176 Base-Backbone interact. energy: 7.241 local terms energy: -444.824782 where: bonds (distance) C4'-P energy: -130.084 bonds (distance) P-C4' energy: -141.207 flat angles C4'-P-C4' energy: -122.290 flat angles P-C4'-P energy: -65.027 tors. eta vs tors. theta energy: 13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3157.116235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.116235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.116235 (E_RNA) where: Base-Base interactions energy: -2147.598 where: short stacking energy: -950.584 Base-Backbone interact. energy: -3.314 local terms energy: -1006.204539 where: bonds (distance) C4'-P energy: -191.396 bonds (distance) P-C4' energy: -175.775 flat angles C4'-P-C4' energy: -205.005 flat angles P-C4'-P energy: -146.562 tors. eta vs tors. theta energy: -287.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2997.861225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.861225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.861225 (E_RNA) where: Base-Base interactions energy: -2047.796 where: short stacking energy: -939.637 Base-Backbone interact. energy: 0.308 local terms energy: -950.373683 where: bonds (distance) C4'-P energy: -168.162 bonds (distance) P-C4' energy: -169.045 flat angles C4'-P-C4' energy: -205.600 flat angles P-C4'-P energy: -132.714 tors. eta vs tors. theta energy: -274.853 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: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2895.277820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.277820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.277820 (E_RNA) where: Base-Base interactions energy: -1915.693 where: short stacking energy: -906.650 Base-Backbone interact. energy: -3.325 local terms energy: -976.259854 where: bonds (distance) C4'-P energy: -162.707 bonds (distance) P-C4' energy: -190.727 flat angles C4'-P-C4' energy: -202.486 flat angles P-C4'-P energy: -145.901 tors. eta vs tors. theta energy: -274.439 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: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2693.939164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.939164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.939164 (E_RNA) where: Base-Base interactions energy: -1804.949 where: short stacking energy: -789.714 Base-Backbone interact. energy: 0.474 local terms energy: -889.463981 where: bonds (distance) C4'-P energy: -190.424 bonds (distance) P-C4' energy: -151.219 flat angles C4'-P-C4' energy: -185.462 flat angles P-C4'-P energy: -140.213 tors. eta vs tors. theta energy: -222.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2579.978412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.978412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.978412 (E_RNA) where: Base-Base interactions energy: -1733.383 where: short stacking energy: -743.073 Base-Backbone interact. energy: 0.508 local terms energy: -847.103251 where: bonds (distance) C4'-P energy: -159.819 bonds (distance) P-C4' energy: -165.499 flat angles C4'-P-C4' energy: -181.497 flat angles P-C4'-P energy: -116.961 tors. eta vs tors. theta energy: -223.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2422.046579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.046579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.046579 (E_RNA) where: Base-Base interactions energy: -1618.775 where: short stacking energy: -722.714 Base-Backbone interact. energy: -2.563 local terms energy: -800.709010 where: bonds (distance) C4'-P energy: -155.007 bonds (distance) P-C4' energy: -181.606 flat angles C4'-P-C4' energy: -180.134 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -190.465 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: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2047.618740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.618740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.618740 (E_RNA) where: Base-Base interactions energy: -1329.345 where: short stacking energy: -597.312 Base-Backbone interact. energy: 4.004 local terms energy: -722.277843 where: bonds (distance) C4'-P energy: -159.575 bonds (distance) P-C4' energy: -162.892 flat angles C4'-P-C4' energy: -156.937 flat angles P-C4'-P energy: -105.513 tors. eta vs tors. theta energy: -137.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1560.653787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.653787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.653787 (E_RNA) where: Base-Base interactions energy: -902.063 where: short stacking energy: -428.883 Base-Backbone interact. energy: 1.781 local terms energy: -660.370947 where: bonds (distance) C4'-P energy: -145.121 bonds (distance) P-C4' energy: -167.204 flat angles C4'-P-C4' energy: -166.888 flat angles P-C4'-P energy: -100.518 tors. eta vs tors. theta energy: -80.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1160.190602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.190602 (E_RNA) where: Base-Base interactions energy: -625.861 where: short stacking energy: -316.391 Base-Backbone interact. energy: 1.433 local terms energy: -535.762586 where: bonds (distance) C4'-P energy: -151.132 bonds (distance) P-C4' energy: -156.659 flat angles C4'-P-C4' energy: -129.349 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: -11.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -787.295101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.295101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.295101 (E_RNA) where: Base-Base interactions energy: -320.819 where: short stacking energy: -206.707 Base-Backbone interact. energy: 15.732 local terms energy: -482.208455 where: bonds (distance) C4'-P energy: -163.014 bonds (distance) P-C4' energy: -157.224 flat angles C4'-P-C4' energy: -128.527 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: 49.749 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: 372 Temperature: 0.900000 Total energy: -3144.539334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.539334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.539334 (E_RNA) where: Base-Base interactions energy: -2160.366 where: short stacking energy: -948.217 Base-Backbone interact. energy: -3.138 local terms energy: -981.035451 where: bonds (distance) C4'-P energy: -184.176 bonds (distance) P-C4' energy: -178.693 flat angles C4'-P-C4' energy: -210.818 flat angles P-C4'-P energy: -141.495 tors. eta vs tors. theta energy: -265.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2983.840749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.840749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.840749 (E_RNA) where: Base-Base interactions energy: -2016.715 where: short stacking energy: -928.458 Base-Backbone interact. energy: -2.435 local terms energy: -964.690779 where: bonds (distance) C4'-P energy: -173.600 bonds (distance) P-C4' energy: -172.047 flat angles C4'-P-C4' energy: -205.675 flat angles P-C4'-P energy: -131.170 tors. eta vs tors. theta energy: -282.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2898.509342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.509342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.509342 (E_RNA) where: Base-Base interactions energy: -1946.815 where: short stacking energy: -892.789 Base-Backbone interact. energy: -3.475 local terms energy: -948.218507 where: bonds (distance) C4'-P energy: -157.307 bonds (distance) P-C4' energy: -177.529 flat angles C4'-P-C4' energy: -207.887 flat angles P-C4'-P energy: -134.749 tors. eta vs tors. theta energy: -270.746 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: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2681.943365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.943365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.943365 (E_RNA) where: Base-Base interactions energy: -1808.816 where: short stacking energy: -839.700 Base-Backbone interact. energy: -0.721 local terms energy: -872.406342 where: bonds (distance) C4'-P energy: -145.882 bonds (distance) P-C4' energy: -175.138 flat angles C4'-P-C4' energy: -192.064 flat angles P-C4'-P energy: -126.112 tors. eta vs tors. theta energy: -233.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2553.819272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.819272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.819272 (E_RNA) where: Base-Base interactions energy: -1719.293 where: short stacking energy: -763.646 Base-Backbone interact. energy: -3.145 local terms energy: -831.381559 where: bonds (distance) C4'-P energy: -142.957 bonds (distance) P-C4' energy: -174.631 flat angles C4'-P-C4' energy: -169.990 flat angles P-C4'-P energy: -124.244 tors. eta vs tors. theta energy: -219.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2433.520450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.520450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.520450 (E_RNA) where: Base-Base interactions energy: -1598.667 where: short stacking energy: -733.107 Base-Backbone interact. energy: 1.572 local terms energy: -836.425399 where: bonds (distance) C4'-P energy: -165.604 bonds (distance) P-C4' energy: -164.632 flat angles C4'-P-C4' energy: -180.375 flat angles P-C4'-P energy: -126.400 tors. eta vs tors. theta energy: -199.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2026.426378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.426378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.426378 (E_RNA) where: Base-Base interactions energy: -1335.859 where: short stacking energy: -636.260 Base-Backbone interact. energy: -3.947 local terms energy: -686.620509 where: bonds (distance) C4'-P energy: -146.028 bonds (distance) P-C4' energy: -166.355 flat angles C4'-P-C4' energy: -155.645 flat angles P-C4'-P energy: -61.749 tors. eta vs tors. theta energy: -156.843 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: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1633.903520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.903520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.903520 (E_RNA) where: Base-Base interactions energy: -1006.110 where: short stacking energy: -495.765 Base-Backbone interact. energy: 0.034 local terms energy: -627.827755 where: bonds (distance) C4'-P energy: -135.061 bonds (distance) P-C4' energy: -162.031 flat angles C4'-P-C4' energy: -145.437 flat angles P-C4'-P energy: -82.167 tors. eta vs tors. theta energy: -103.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1165.331507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.331507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.331507 (E_RNA) where: Base-Base interactions energy: -621.674 where: short stacking energy: -323.208 Base-Backbone interact. energy: -0.257 local terms energy: -543.400727 where: bonds (distance) C4'-P energy: -148.079 bonds (distance) P-C4' energy: -155.296 flat angles C4'-P-C4' energy: -136.949 flat angles P-C4'-P energy: -79.965 tors. eta vs tors. theta energy: -23.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -728.102372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.102372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.102372 (E_RNA) where: Base-Base interactions energy: -260.656 where: short stacking energy: -197.406 Base-Backbone interact. energy: 6.679 local terms energy: -474.125391 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -172.430 flat angles C4'-P-C4' energy: -120.105 flat angles P-C4'-P energy: -63.776 tors. eta vs tors. theta energy: 21.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3173.816196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.816196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.816196 (E_RNA) where: Base-Base interactions energy: -2181.002 where: short stacking energy: -981.199 Base-Backbone interact. energy: -5.012 local terms energy: -987.801885 where: bonds (distance) C4'-P energy: -190.214 bonds (distance) P-C4' energy: -180.236 flat angles C4'-P-C4' energy: -198.291 flat angles P-C4'-P energy: -137.777 tors. eta vs tors. theta energy: -281.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2947.764591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.764591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.764591 (E_RNA) where: Base-Base interactions energy: -1988.441 where: short stacking energy: -911.562 Base-Backbone interact. energy: -2.636 local terms energy: -956.687678 where: bonds (distance) C4'-P energy: -172.976 bonds (distance) P-C4' energy: -180.280 flat angles C4'-P-C4' energy: -210.962 flat angles P-C4'-P energy: -118.097 tors. eta vs tors. theta energy: -274.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2888.150940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.150940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.150940 (E_RNA) where: Base-Base interactions energy: -1922.113 where: short stacking energy: -892.968 Base-Backbone interact. energy: -4.152 local terms energy: -961.886071 where: bonds (distance) C4'-P energy: -159.381 bonds (distance) P-C4' energy: -175.808 flat angles C4'-P-C4' energy: -210.096 flat angles P-C4'-P energy: -139.336 tors. eta vs tors. theta energy: -277.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2695.185385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.185385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.185385 (E_RNA) where: Base-Base interactions energy: -1820.383 where: short stacking energy: -842.109 Base-Backbone interact. energy: 2.293 local terms energy: -877.096042 where: bonds (distance) C4'-P energy: -151.910 bonds (distance) P-C4' energy: -176.792 flat angles C4'-P-C4' energy: -190.826 flat angles P-C4'-P energy: -116.040 tors. eta vs tors. theta energy: -241.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2566.251723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.251723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.251723 (E_RNA) where: Base-Base interactions energy: -1730.394 where: short stacking energy: -752.237 Base-Backbone interact. energy: -0.654 local terms energy: -835.204329 where: bonds (distance) C4'-P energy: -161.075 bonds (distance) P-C4' energy: -179.260 flat angles C4'-P-C4' energy: -172.148 flat angles P-C4'-P energy: -120.374 tors. eta vs tors. theta energy: -202.348 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: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2417.801810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.801810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.801810 (E_RNA) where: Base-Base interactions energy: -1606.623 where: short stacking energy: -709.431 Base-Backbone interact. energy: 2.319 local terms energy: -813.497694 where: bonds (distance) C4'-P energy: -162.385 bonds (distance) P-C4' energy: -164.659 flat angles C4'-P-C4' energy: -184.289 flat angles P-C4'-P energy: -113.445 tors. eta vs tors. theta energy: -188.720 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: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2087.779300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.779300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.779300 (E_RNA) where: Base-Base interactions energy: -1347.143 where: short stacking energy: -622.438 Base-Backbone interact. energy: 7.107 local terms energy: -747.743643 where: bonds (distance) C4'-P energy: -161.408 bonds (distance) P-C4' energy: -160.100 flat angles C4'-P-C4' energy: -154.717 flat angles P-C4'-P energy: -114.616 tors. eta vs tors. theta energy: -156.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1571.619459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.619459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.619459 (E_RNA) where: Base-Base interactions energy: -952.443 where: short stacking energy: -484.802 Base-Backbone interact. energy: 2.212 local terms energy: -621.388532 where: bonds (distance) C4'-P energy: -155.727 bonds (distance) P-C4' energy: -133.004 flat angles C4'-P-C4' energy: -137.091 flat angles P-C4'-P energy: -110.547 tors. eta vs tors. theta energy: -85.019 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: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1117.592176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.592176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.592176 (E_RNA) where: Base-Base interactions energy: -626.490 where: short stacking energy: -321.945 Base-Backbone interact. energy: -0.444 local terms energy: -490.658343 where: bonds (distance) C4'-P energy: -127.724 bonds (distance) P-C4' energy: -163.392 flat angles C4'-P-C4' energy: -128.734 flat angles P-C4'-P energy: -59.089 tors. eta vs tors. theta energy: -11.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -679.045030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.045030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.045030 (E_RNA) where: Base-Base interactions energy: -208.957 where: short stacking energy: -192.998 Base-Backbone interact. energy: -2.537 local terms energy: -467.551504 where: bonds (distance) C4'-P energy: -157.573 bonds (distance) P-C4' energy: -161.344 flat angles C4'-P-C4' energy: -118.866 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: 41.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3175.419305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.419305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.419305 (E_RNA) where: Base-Base interactions energy: -2157.161 where: short stacking energy: -967.692 Base-Backbone interact. energy: -7.417 local terms energy: -1010.841371 where: bonds (distance) C4'-P energy: -200.423 bonds (distance) P-C4' energy: -177.841 flat angles C4'-P-C4' energy: -211.594 flat angles P-C4'-P energy: -130.479 tors. eta vs tors. theta energy: -290.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2970.710186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.710186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.710186 (E_RNA) where: Base-Base interactions energy: -1984.452 where: short stacking energy: -911.103 Base-Backbone interact. energy: -4.004 local terms energy: -982.254627 where: bonds (distance) C4'-P energy: -168.049 bonds (distance) P-C4' energy: -179.351 flat angles C4'-P-C4' energy: -202.569 flat angles P-C4'-P energy: -160.890 tors. eta vs tors. theta energy: -271.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2923.362656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.362656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.362656 (E_RNA) where: Base-Base interactions energy: -1982.272 where: short stacking energy: -934.925 Base-Backbone interact. energy: 0.036 local terms energy: -941.126237 where: bonds (distance) C4'-P energy: -185.894 bonds (distance) P-C4' energy: -170.022 flat angles C4'-P-C4' energy: -190.970 flat angles P-C4'-P energy: -125.508 tors. eta vs tors. theta energy: -268.731 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: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2672.061236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.061236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.061236 (E_RNA) where: Base-Base interactions energy: -1793.453 where: short stacking energy: -804.398 Base-Backbone interact. energy: -0.628 local terms energy: -877.980359 where: bonds (distance) C4'-P energy: -171.232 bonds (distance) P-C4' energy: -159.632 flat angles C4'-P-C4' energy: -193.181 flat angles P-C4'-P energy: -121.505 tors. eta vs tors. theta energy: -232.431 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: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2576.073431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.073431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.073431 (E_RNA) where: Base-Base interactions energy: -1717.982 where: short stacking energy: -770.799 Base-Backbone interact. energy: -3.037 local terms energy: -855.054796 where: bonds (distance) C4'-P energy: -155.342 bonds (distance) P-C4' energy: -172.506 flat angles C4'-P-C4' energy: -194.027 flat angles P-C4'-P energy: -119.240 tors. eta vs tors. theta energy: -213.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2428.873757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.873757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.873757 (E_RNA) where: Base-Base interactions energy: -1621.332 where: short stacking energy: -729.173 Base-Backbone interact. energy: -3.098 local terms energy: -804.443816 where: bonds (distance) C4'-P energy: -159.410 bonds (distance) P-C4' energy: -154.471 flat angles C4'-P-C4' energy: -168.543 flat angles P-C4'-P energy: -102.867 tors. eta vs tors. theta energy: -219.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2068.804580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.804580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.804580 (E_RNA) where: Base-Base interactions energy: -1311.223 where: short stacking energy: -607.641 Base-Backbone interact. energy: 0.913 local terms energy: -758.494430 where: bonds (distance) C4'-P energy: -156.600 bonds (distance) P-C4' energy: -158.409 flat angles C4'-P-C4' energy: -175.153 flat angles P-C4'-P energy: -120.937 tors. eta vs tors. theta energy: -147.395 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: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1466.143332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.143332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.143332 (E_RNA) where: Base-Base interactions energy: -885.756 where: short stacking energy: -448.051 Base-Backbone interact. energy: 2.725 local terms energy: -583.112750 where: bonds (distance) C4'-P energy: -156.372 bonds (distance) P-C4' energy: -148.054 flat angles C4'-P-C4' energy: -154.207 flat angles P-C4'-P energy: -68.497 tors. eta vs tors. theta energy: -55.983 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: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1136.616569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.616569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.616569 (E_RNA) where: Base-Base interactions energy: -595.956 where: short stacking energy: -301.988 Base-Backbone interact. energy: 6.132 local terms energy: -546.792535 where: bonds (distance) C4'-P energy: -162.320 bonds (distance) P-C4' energy: -144.932 flat angles C4'-P-C4' energy: -140.055 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: -28.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -708.091512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.091512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.091512 (E_RNA) where: Base-Base interactions energy: -257.991 where: short stacking energy: -202.871 Base-Backbone interact. energy: 3.092 local terms energy: -453.192478 where: bonds (distance) C4'-P energy: -134.221 bonds (distance) P-C4' energy: -170.904 flat angles C4'-P-C4' energy: -107.418 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: 25.430 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: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3168.550343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.550343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.550343 (E_RNA) where: Base-Base interactions energy: -2150.952 where: short stacking energy: -953.082 Base-Backbone interact. energy: -1.474 local terms energy: -1016.123605 where: bonds (distance) C4'-P energy: -185.219 bonds (distance) P-C4' energy: -172.281 flat angles C4'-P-C4' energy: -222.600 flat angles P-C4'-P energy: -149.049 tors. eta vs tors. theta energy: -286.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2984.116875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.116875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.116875 (E_RNA) where: Base-Base interactions energy: -2020.518 where: short stacking energy: -944.338 Base-Backbone interact. energy: -1.056 local terms energy: -962.542250 where: bonds (distance) C4'-P energy: -163.596 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -211.782 flat angles P-C4'-P energy: -136.972 tors. eta vs tors. theta energy: -271.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2923.576957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.576957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.576957 (E_RNA) where: Base-Base interactions energy: -1990.201 where: short stacking energy: -895.045 Base-Backbone interact. energy: 0.556 local terms energy: -933.932182 where: bonds (distance) C4'-P energy: -176.580 bonds (distance) P-C4' energy: -168.983 flat angles C4'-P-C4' energy: -193.010 flat angles P-C4'-P energy: -136.167 tors. eta vs tors. theta energy: -259.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2680.715252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.715252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.715252 (E_RNA) where: Base-Base interactions energy: -1781.769 where: short stacking energy: -793.470 Base-Backbone interact. energy: -2.818 local terms energy: -896.127830 where: bonds (distance) C4'-P energy: -172.624 bonds (distance) P-C4' energy: -165.431 flat angles C4'-P-C4' energy: -191.143 flat angles P-C4'-P energy: -130.676 tors. eta vs tors. theta energy: -236.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2599.518753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.518753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.518753 (E_RNA) where: Base-Base interactions energy: -1774.155 where: short stacking energy: -798.579 Base-Backbone interact. energy: 6.591 local terms energy: -831.954163 where: bonds (distance) C4'-P energy: -162.262 bonds (distance) P-C4' energy: -151.727 flat angles C4'-P-C4' energy: -193.646 flat angles P-C4'-P energy: -102.615 tors. eta vs tors. theta energy: -221.704 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: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2383.495386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.495386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.495386 (E_RNA) where: Base-Base interactions energy: -1574.055 where: short stacking energy: -713.800 Base-Backbone interact. energy: -2.322 local terms energy: -807.118701 where: bonds (distance) C4'-P energy: -154.858 bonds (distance) P-C4' energy: -165.772 flat angles C4'-P-C4' energy: -162.284 flat angles P-C4'-P energy: -130.825 tors. eta vs tors. theta energy: -193.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2058.798053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.798053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.798053 (E_RNA) where: Base-Base interactions energy: -1338.098 where: short stacking energy: -607.557 Base-Backbone interact. energy: 0.772 local terms energy: -721.471809 where: bonds (distance) C4'-P energy: -167.054 bonds (distance) P-C4' energy: -151.009 flat angles C4'-P-C4' energy: -172.697 flat angles P-C4'-P energy: -88.949 tors. eta vs tors. theta energy: -141.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1491.866195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.866195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.866195 (E_RNA) where: Base-Base interactions energy: -854.321 where: short stacking energy: -447.515 Base-Backbone interact. energy: -1.287 local terms energy: -636.258385 where: bonds (distance) C4'-P energy: -146.262 bonds (distance) P-C4' energy: -163.117 flat angles C4'-P-C4' energy: -155.769 flat angles P-C4'-P energy: -91.141 tors. eta vs tors. theta energy: -79.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1094.910841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.910841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.910841 (E_RNA) where: Base-Base interactions energy: -569.216 where: short stacking energy: -316.512 Base-Backbone interact. energy: 2.573 local terms energy: -528.267662 where: bonds (distance) C4'-P energy: -153.654 bonds (distance) P-C4' energy: -164.294 flat angles C4'-P-C4' energy: -140.092 flat angles P-C4'-P energy: -70.892 tors. eta vs tors. theta energy: 0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -749.853342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.853342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.853342 (E_RNA) where: Base-Base interactions energy: -293.425 where: short stacking energy: -227.024 Base-Backbone interact. energy: 0.206 local terms energy: -456.634072 where: bonds (distance) C4'-P energy: -125.270 bonds (distance) P-C4' energy: -158.711 flat angles C4'-P-C4' energy: -138.686 flat angles P-C4'-P energy: -69.268 tors. eta vs tors. theta energy: 35.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3197.797000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.797000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.797000 (E_RNA) where: Base-Base interactions energy: -2183.215 where: short stacking energy: -977.343 Base-Backbone interact. energy: -6.194 local terms energy: -1008.388384 where: bonds (distance) C4'-P energy: -180.797 bonds (distance) P-C4' energy: -179.976 flat angles C4'-P-C4' energy: -225.644 flat angles P-C4'-P energy: -130.776 tors. eta vs tors. theta energy: -291.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2960.743622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.743622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.743622 (E_RNA) where: Base-Base interactions energy: -2007.650 where: short stacking energy: -930.527 Base-Backbone interact. energy: -1.389 local terms energy: -951.704607 where: bonds (distance) C4'-P energy: -170.537 bonds (distance) P-C4' energy: -179.675 flat angles C4'-P-C4' energy: -201.436 flat angles P-C4'-P energy: -137.932 tors. eta vs tors. theta energy: -262.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2877.915141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.915141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.915141 (E_RNA) where: Base-Base interactions energy: -1917.442 where: short stacking energy: -896.265 Base-Backbone interact. energy: 0.190 local terms energy: -960.663171 where: bonds (distance) C4'-P energy: -169.125 bonds (distance) P-C4' energy: -181.955 flat angles C4'-P-C4' energy: -200.752 flat angles P-C4'-P energy: -138.431 tors. eta vs tors. theta energy: -270.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2705.749222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.749222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.749222 (E_RNA) where: Base-Base interactions energy: -1840.335 where: short stacking energy: -843.505 Base-Backbone interact. energy: -0.032 local terms energy: -865.382922 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -145.817 flat angles C4'-P-C4' energy: -195.874 flat angles P-C4'-P energy: -133.866 tors. eta vs tors. theta energy: -248.555 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: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2592.593812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.593812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.593812 (E_RNA) where: Base-Base interactions energy: -1755.301 where: short stacking energy: -796.028 Base-Backbone interact. energy: -5.720 local terms energy: -831.573157 where: bonds (distance) C4'-P energy: -154.369 bonds (distance) P-C4' energy: -157.317 flat angles C4'-P-C4' energy: -194.889 flat angles P-C4'-P energy: -105.580 tors. eta vs tors. theta energy: -219.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2345.507819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.507819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.507819 (E_RNA) where: Base-Base interactions energy: -1550.621 where: short stacking energy: -707.950 Base-Backbone interact. energy: -4.084 local terms energy: -790.801975 where: bonds (distance) C4'-P energy: -154.187 bonds (distance) P-C4' energy: -164.253 flat angles C4'-P-C4' energy: -180.005 flat angles P-C4'-P energy: -100.587 tors. eta vs tors. theta energy: -191.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1983.697310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.697310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.697310 (E_RNA) where: Base-Base interactions energy: -1297.431 where: short stacking energy: -612.005 Base-Backbone interact. energy: -3.897 local terms energy: -682.368961 where: bonds (distance) C4'-P energy: -147.174 bonds (distance) P-C4' energy: -146.595 flat angles C4'-P-C4' energy: -163.726 flat angles P-C4'-P energy: -85.459 tors. eta vs tors. theta energy: -139.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1517.405865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.405865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.405865 (E_RNA) where: Base-Base interactions energy: -890.841 where: short stacking energy: -463.302 Base-Backbone interact. energy: -0.388 local terms energy: -626.176947 where: bonds (distance) C4'-P energy: -150.461 bonds (distance) P-C4' energy: -148.489 flat angles C4'-P-C4' energy: -145.068 flat angles P-C4'-P energy: -103.145 tors. eta vs tors. theta energy: -79.014 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: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1156.562535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.562535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.562535 (E_RNA) where: Base-Base interactions energy: -635.639 where: short stacking energy: -345.560 Base-Backbone interact. energy: -0.005 local terms energy: -520.918834 where: bonds (distance) C4'-P energy: -134.691 bonds (distance) P-C4' energy: -165.128 flat angles C4'-P-C4' energy: -127.278 flat angles P-C4'-P energy: -87.263 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -707.231851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.231851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.231851 (E_RNA) where: Base-Base interactions energy: -289.843 where: short stacking energy: -223.650 Base-Backbone interact. energy: 8.104 local terms energy: -425.492825 where: bonds (distance) C4'-P energy: -147.915 bonds (distance) P-C4' energy: -149.933 flat angles C4'-P-C4' energy: -104.970 flat angles P-C4'-P energy: -67.693 tors. eta vs tors. theta energy: 45.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3171.045057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.045057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.045057 (E_RNA) where: Base-Base interactions energy: -2167.575 where: short stacking energy: -961.591 Base-Backbone interact. energy: -5.663 local terms energy: -997.806746 where: bonds (distance) C4'-P energy: -179.410 bonds (distance) P-C4' energy: -178.070 flat angles C4'-P-C4' energy: -211.157 flat angles P-C4'-P energy: -146.080 tors. eta vs tors. theta energy: -283.089 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: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2991.141300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.141300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.141300 (E_RNA) where: Base-Base interactions energy: -1997.406 where: short stacking energy: -930.182 Base-Backbone interact. energy: -3.930 local terms energy: -989.804963 where: bonds (distance) C4'-P energy: -165.332 bonds (distance) P-C4' energy: -189.378 flat angles C4'-P-C4' energy: -216.888 flat angles P-C4'-P energy: -147.530 tors. eta vs tors. theta energy: -270.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2873.543407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.543407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.543407 (E_RNA) where: Base-Base interactions energy: -1915.718 where: short stacking energy: -878.076 Base-Backbone interact. energy: -2.416 local terms energy: -955.409884 where: bonds (distance) C4'-P energy: -175.808 bonds (distance) P-C4' energy: -181.321 flat angles C4'-P-C4' energy: -210.549 flat angles P-C4'-P energy: -130.494 tors. eta vs tors. theta energy: -257.238 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: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2715.206247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.206247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.206247 (E_RNA) where: Base-Base interactions energy: -1854.606 where: short stacking energy: -823.196 Base-Backbone interact. energy: -3.292 local terms energy: -857.308931 where: bonds (distance) C4'-P energy: -155.088 bonds (distance) P-C4' energy: -159.249 flat angles C4'-P-C4' energy: -190.205 flat angles P-C4'-P energy: -109.858 tors. eta vs tors. theta energy: -242.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2596.343278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.343278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.343278 (E_RNA) where: Base-Base interactions energy: -1766.463 where: short stacking energy: -780.698 Base-Backbone interact. energy: 12.685 local terms energy: -842.564930 where: bonds (distance) C4'-P energy: -168.137 bonds (distance) P-C4' energy: -155.591 flat angles C4'-P-C4' energy: -169.433 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -226.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2484.684561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.684561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.684561 (E_RNA) where: Base-Base interactions energy: -1691.499 where: short stacking energy: -773.723 Base-Backbone interact. energy: -6.956 local terms energy: -786.229916 where: bonds (distance) C4'-P energy: -157.316 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -172.660 flat angles P-C4'-P energy: -116.268 tors. eta vs tors. theta energy: -202.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2022.239729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.239729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.239729 (E_RNA) where: Base-Base interactions energy: -1275.611 where: short stacking energy: -570.253 Base-Backbone interact. energy: 1.029 local terms energy: -747.657656 where: bonds (distance) C4'-P energy: -153.727 bonds (distance) P-C4' energy: -160.784 flat angles C4'-P-C4' energy: -177.217 flat angles P-C4'-P energy: -100.798 tors. eta vs tors. theta energy: -155.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1500.670934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.670934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.670934 (E_RNA) where: Base-Base interactions energy: -872.218 where: short stacking energy: -444.553 Base-Backbone interact. energy: 3.524 local terms energy: -631.977364 where: bonds (distance) C4'-P energy: -173.230 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -65.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1153.772970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.772970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.772970 (E_RNA) where: Base-Base interactions energy: -642.909 where: short stacking energy: -351.271 Base-Backbone interact. energy: 7.468 local terms energy: -518.332478 where: bonds (distance) C4'-P energy: -143.997 bonds (distance) P-C4' energy: -165.639 flat angles C4'-P-C4' energy: -128.698 flat angles P-C4'-P energy: -57.843 tors. eta vs tors. theta energy: -22.155 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: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -743.241077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.241077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.241077 (E_RNA) where: Base-Base interactions energy: -269.077 where: short stacking energy: -220.970 Base-Backbone interact. energy: 1.837 local terms energy: -476.001425 where: bonds (distance) C4'-P energy: -143.756 bonds (distance) P-C4' energy: -153.943 flat angles C4'-P-C4' energy: -117.389 flat angles P-C4'-P energy: -78.773 tors. eta vs tors. theta energy: 17.859 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: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3156.103007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.103007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.103007 (E_RNA) where: Base-Base interactions energy: -2167.214 where: short stacking energy: -926.455 Base-Backbone interact. energy: -7.412 local terms energy: -981.477141 where: bonds (distance) C4'-P energy: -192.219 bonds (distance) P-C4' energy: -172.688 flat angles C4'-P-C4' energy: -203.178 flat angles P-C4'-P energy: -135.094 tors. eta vs tors. theta energy: -278.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3002.912851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.912851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.912851 (E_RNA) where: Base-Base interactions energy: -2050.628 where: short stacking energy: -923.764 Base-Backbone interact. energy: -2.621 local terms energy: -949.664457 where: bonds (distance) C4'-P energy: -176.702 bonds (distance) P-C4' energy: -160.859 flat angles C4'-P-C4' energy: -201.057 flat angles P-C4'-P energy: -141.134 tors. eta vs tors. theta energy: -269.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2910.954219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.954219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.954219 (E_RNA) where: Base-Base interactions energy: -1932.516 where: short stacking energy: -884.201 Base-Backbone interact. energy: -1.312 local terms energy: -977.125981 where: bonds (distance) C4'-P energy: -181.223 bonds (distance) P-C4' energy: -174.226 flat angles C4'-P-C4' energy: -206.364 flat angles P-C4'-P energy: -139.464 tors. eta vs tors. theta energy: -275.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2720.110402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.110402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.110402 (E_RNA) where: Base-Base interactions energy: -1820.799 where: short stacking energy: -810.271 Base-Backbone interact. energy: -0.968 local terms energy: -898.343671 where: bonds (distance) C4'-P energy: -165.459 bonds (distance) P-C4' energy: -188.411 flat angles C4'-P-C4' energy: -185.236 flat angles P-C4'-P energy: -139.507 tors. eta vs tors. theta energy: -219.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2574.081917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.081917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.081917 (E_RNA) where: Base-Base interactions energy: -1734.955 where: short stacking energy: -749.853 Base-Backbone interact. energy: 4.061 local terms energy: -843.187698 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -174.646 flat angles C4'-P-C4' energy: -180.023 flat angles P-C4'-P energy: -131.874 tors. eta vs tors. theta energy: -207.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2379.024939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.024939 (E_RNA) where: Base-Base interactions energy: -1576.324 where: short stacking energy: -685.078 Base-Backbone interact. energy: -2.322 local terms energy: -800.378294 where: bonds (distance) C4'-P energy: -156.935 bonds (distance) P-C4' energy: -167.455 flat angles C4'-P-C4' energy: -179.822 flat angles P-C4'-P energy: -110.525 tors. eta vs tors. theta energy: -185.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2032.665883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.665883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.665883 (E_RNA) where: Base-Base interactions energy: -1332.084 where: short stacking energy: -625.069 Base-Backbone interact. energy: 6.102 local terms energy: -706.683443 where: bonds (distance) C4'-P energy: -139.176 bonds (distance) P-C4' energy: -164.648 flat angles C4'-P-C4' energy: -152.201 flat angles P-C4'-P energy: -110.772 tors. eta vs tors. theta energy: -139.887 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1500.290993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.290993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.290993 (E_RNA) where: Base-Base interactions energy: -875.103 where: short stacking energy: -428.768 Base-Backbone interact. energy: 0.020 local terms energy: -625.208324 where: bonds (distance) C4'-P energy: -153.171 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -143.019 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -66.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1114.181834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.181834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.181834 (E_RNA) where: Base-Base interactions energy: -579.035 where: short stacking energy: -332.223 Base-Backbone interact. energy: 3.944 local terms energy: -539.090999 where: bonds (distance) C4'-P energy: -147.265 bonds (distance) P-C4' energy: -150.873 flat angles C4'-P-C4' energy: -132.390 flat angles P-C4'-P energy: -90.703 tors. eta vs tors. theta energy: -17.861 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: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -718.292751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.292751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.292751 (E_RNA) where: Base-Base interactions energy: -295.714 where: short stacking energy: -204.802 Base-Backbone interact. energy: 8.207 local terms energy: -430.785105 where: bonds (distance) C4'-P energy: -169.759 bonds (distance) P-C4' energy: -127.696 flat angles C4'-P-C4' energy: -123.501 flat angles P-C4'-P energy: -48.766 tors. eta vs tors. theta energy: 38.938 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: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3157.489529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.489529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.489529 (E_RNA) where: Base-Base interactions energy: -2163.055 where: short stacking energy: -951.124 Base-Backbone interact. energy: -6.207 local terms energy: -988.227256 where: bonds (distance) C4'-P energy: -187.758 bonds (distance) P-C4' energy: -176.084 flat angles C4'-P-C4' energy: -217.156 flat angles P-C4'-P energy: -131.379 tors. eta vs tors. theta energy: -275.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2991.141213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.141213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.141213 (E_RNA) where: Base-Base interactions energy: -2029.669 where: short stacking energy: -912.764 Base-Backbone interact. energy: 0.618 local terms energy: -962.090079 where: bonds (distance) C4'-P energy: -168.190 bonds (distance) P-C4' energy: -186.545 flat angles C4'-P-C4' energy: -191.722 flat angles P-C4'-P energy: -145.042 tors. eta vs tors. theta energy: -270.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2899.481245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.481245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.481245 (E_RNA) where: Base-Base interactions energy: -1941.192 where: short stacking energy: -913.165 Base-Backbone interact. energy: 0.087 local terms energy: -958.376533 where: bonds (distance) C4'-P energy: -185.356 bonds (distance) P-C4' energy: -165.333 flat angles C4'-P-C4' energy: -202.613 flat angles P-C4'-P energy: -126.080 tors. eta vs tors. theta energy: -278.994 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: 379 Temperature: 1.050000 Total energy: -2710.974700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.974700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.974700 (E_RNA) where: Base-Base interactions energy: -1835.188 where: short stacking energy: -817.444 Base-Backbone interact. energy: -1.845 local terms energy: -873.942129 where: bonds (distance) C4'-P energy: -161.180 bonds (distance) P-C4' energy: -171.229 flat angles C4'-P-C4' energy: -181.892 flat angles P-C4'-P energy: -114.879 tors. eta vs tors. theta energy: -244.762 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: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2628.401551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.401551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.401551 (E_RNA) where: Base-Base interactions energy: -1762.553 where: short stacking energy: -806.883 Base-Backbone interact. energy: 1.027 local terms energy: -866.875468 where: bonds (distance) C4'-P energy: -167.150 bonds (distance) P-C4' energy: -168.334 flat angles C4'-P-C4' energy: -181.614 flat angles P-C4'-P energy: -119.719 tors. eta vs tors. theta energy: -230.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2349.433706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.433706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.433706 (E_RNA) where: Base-Base interactions energy: -1560.943 where: short stacking energy: -678.416 Base-Backbone interact. energy: 4.584 local terms energy: -793.074175 where: bonds (distance) C4'-P energy: -161.989 bonds (distance) P-C4' energy: -143.771 flat angles C4'-P-C4' energy: -186.223 flat angles P-C4'-P energy: -126.655 tors. eta vs tors. theta energy: -174.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2101.499785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.499785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.499785 (E_RNA) where: Base-Base interactions energy: -1410.098 where: short stacking energy: -628.399 Base-Backbone interact. energy: -1.126 local terms energy: -690.275356 where: bonds (distance) C4'-P energy: -112.417 bonds (distance) P-C4' energy: -175.653 flat angles C4'-P-C4' energy: -150.242 flat angles P-C4'-P energy: -100.545 tors. eta vs tors. theta energy: -151.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1485.127658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.127658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.127658 (E_RNA) where: Base-Base interactions energy: -856.189 where: short stacking energy: -463.181 Base-Backbone interact. energy: -0.821 local terms energy: -628.118202 where: bonds (distance) C4'-P energy: -164.459 bonds (distance) P-C4' energy: -153.309 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -95.407 tors. eta vs tors. theta energy: -71.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1065.940609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.940609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.940609 (E_RNA) where: Base-Base interactions energy: -554.198 where: short stacking energy: -298.951 Base-Backbone interact. energy: -0.187 local terms energy: -511.554900 where: bonds (distance) C4'-P energy: -124.620 bonds (distance) P-C4' energy: -152.687 flat angles C4'-P-C4' energy: -132.035 flat angles P-C4'-P energy: -86.816 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: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -684.884036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.884036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.884036 (E_RNA) where: Base-Base interactions energy: -256.186 where: short stacking energy: -211.420 Base-Backbone interact. energy: 2.785 local terms energy: -431.482780 where: bonds (distance) C4'-P energy: -127.257 bonds (distance) P-C4' energy: -143.671 flat angles C4'-P-C4' energy: -121.466 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: 24.777 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3159.693342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.693342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.693342 (E_RNA) where: Base-Base interactions energy: -2165.260 where: short stacking energy: -929.516 Base-Backbone interact. energy: -4.401 local terms energy: -990.032413 where: bonds (distance) C4'-P energy: -175.093 bonds (distance) P-C4' energy: -198.650 flat angles C4'-P-C4' energy: -201.641 flat angles P-C4'-P energy: -145.535 tors. eta vs tors. theta energy: -269.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3020.602354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.602354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.602354 (E_RNA) where: Base-Base interactions energy: -2035.639 where: short stacking energy: -921.837 Base-Backbone interact. energy: -4.056 local terms energy: -980.907378 where: bonds (distance) C4'-P energy: -171.961 bonds (distance) P-C4' energy: -196.255 flat angles C4'-P-C4' energy: -209.843 flat angles P-C4'-P energy: -140.940 tors. eta vs tors. theta energy: -261.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2890.563641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.563641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.563641 (E_RNA) where: Base-Base interactions energy: -1930.836 where: short stacking energy: -914.718 Base-Backbone interact. energy: -3.066 local terms energy: -956.661168 where: bonds (distance) C4'-P energy: -144.515 bonds (distance) P-C4' energy: -189.392 flat angles C4'-P-C4' energy: -211.493 flat angles P-C4'-P energy: -120.122 tors. eta vs tors. theta energy: -291.139 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: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2700.617457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.617457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.617457 (E_RNA) where: Base-Base interactions energy: -1843.764 where: short stacking energy: -830.093 Base-Backbone interact. energy: -2.833 local terms energy: -854.020431 where: bonds (distance) C4'-P energy: -155.597 bonds (distance) P-C4' energy: -162.455 flat angles C4'-P-C4' energy: -184.464 flat angles P-C4'-P energy: -118.471 tors. eta vs tors. theta energy: -233.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2603.046791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.046791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.046791 (E_RNA) where: Base-Base interactions energy: -1745.285 where: short stacking energy: -792.787 Base-Backbone interact. energy: 1.832 local terms energy: -859.593539 where: bonds (distance) C4'-P energy: -170.524 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -194.437 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -238.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2388.323926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.323926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.323926 (E_RNA) where: Base-Base interactions energy: -1585.175 where: short stacking energy: -721.420 Base-Backbone interact. energy: 4.000 local terms energy: -807.148892 where: bonds (distance) C4'-P energy: -171.273 bonds (distance) P-C4' energy: -171.962 flat angles C4'-P-C4' energy: -171.060 flat angles P-C4'-P energy: -104.807 tors. eta vs tors. theta energy: -188.048 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: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2016.252143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.252143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.252143 (E_RNA) where: Base-Base interactions energy: -1293.426 where: short stacking energy: -586.078 Base-Backbone interact. energy: -4.578 local terms energy: -718.247932 where: bonds (distance) C4'-P energy: -145.338 bonds (distance) P-C4' energy: -192.108 flat angles C4'-P-C4' energy: -151.300 flat angles P-C4'-P energy: -97.202 tors. eta vs tors. theta energy: -132.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1517.195729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.195729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.195729 (E_RNA) where: Base-Base interactions energy: -891.042 where: short stacking energy: -482.639 Base-Backbone interact. energy: -1.707 local terms energy: -624.446814 where: bonds (distance) C4'-P energy: -106.358 bonds (distance) P-C4' energy: -161.916 flat angles C4'-P-C4' energy: -136.916 flat angles P-C4'-P energy: -112.238 tors. eta vs tors. theta energy: -107.020 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: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1062.320663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.320663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.320663 (E_RNA) where: Base-Base interactions energy: -552.200 where: short stacking energy: -302.416 Base-Backbone interact. energy: 3.057 local terms energy: -513.177572 where: bonds (distance) C4'-P energy: -153.009 bonds (distance) P-C4' energy: -135.557 flat angles C4'-P-C4' energy: -121.629 flat angles P-C4'-P energy: -85.207 tors. eta vs tors. theta energy: -17.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -670.642583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.642583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.642583 (E_RNA) where: Base-Base interactions energy: -238.654 where: short stacking energy: -194.557 Base-Backbone interact. energy: -1.654 local terms energy: -430.334351 where: bonds (distance) C4'-P energy: -125.204 bonds (distance) P-C4' energy: -152.791 flat angles C4'-P-C4' energy: -120.029 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: 41.597 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3168.242675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.242675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.242675 (E_RNA) where: Base-Base interactions energy: -2140.329 where: short stacking energy: -954.467 Base-Backbone interact. energy: -3.091 local terms energy: -1024.822783 where: bonds (distance) C4'-P energy: -180.145 bonds (distance) P-C4' energy: -194.611 flat angles C4'-P-C4' energy: -208.458 flat angles P-C4'-P energy: -157.355 tors. eta vs tors. theta energy: -284.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3007.679588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.679588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.679588 (E_RNA) where: Base-Base interactions energy: -2043.533 where: short stacking energy: -954.342 Base-Backbone interact. energy: -2.428 local terms energy: -961.719260 where: bonds (distance) C4'-P energy: -167.226 bonds (distance) P-C4' energy: -178.655 flat angles C4'-P-C4' energy: -208.637 flat angles P-C4'-P energy: -121.233 tors. eta vs tors. theta energy: -285.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2868.461199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.461199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.461199 (E_RNA) where: Base-Base interactions energy: -1932.928 where: short stacking energy: -921.531 Base-Backbone interact. energy: -3.498 local terms energy: -932.034820 where: bonds (distance) C4'-P energy: -155.751 bonds (distance) P-C4' energy: -159.579 flat angles C4'-P-C4' energy: -204.703 flat angles P-C4'-P energy: -135.134 tors. eta vs tors. theta energy: -276.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2705.512080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.512080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.512080 (E_RNA) where: Base-Base interactions energy: -1836.723 where: short stacking energy: -805.140 Base-Backbone interact. energy: 1.119 local terms energy: -869.908047 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -184.825 flat angles C4'-P-C4' energy: -184.945 flat angles P-C4'-P energy: -117.626 tors. eta vs tors. theta energy: -242.393 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: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2541.327112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.327112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.327112 (E_RNA) where: Base-Base interactions energy: -1707.726 where: short stacking energy: -766.478 Base-Backbone interact. energy: -3.120 local terms energy: -830.480646 where: bonds (distance) C4'-P energy: -152.595 bonds (distance) P-C4' energy: -172.365 flat angles C4'-P-C4' energy: -179.117 flat angles P-C4'-P energy: -112.967 tors. eta vs tors. theta energy: -213.436 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: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2399.632763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.632763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.632763 (E_RNA) where: Base-Base interactions energy: -1626.384 where: short stacking energy: -715.359 Base-Backbone interact. energy: 5.079 local terms energy: -778.328402 where: bonds (distance) C4'-P energy: -157.432 bonds (distance) P-C4' energy: -164.881 flat angles C4'-P-C4' energy: -163.714 flat angles P-C4'-P energy: -106.136 tors. eta vs tors. theta energy: -186.165 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: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2077.162768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.162768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.162768 (E_RNA) where: Base-Base interactions energy: -1336.055 where: short stacking energy: -616.570 Base-Backbone interact. energy: -2.970 local terms energy: -738.137582 where: bonds (distance) C4'-P energy: -164.708 bonds (distance) P-C4' energy: -148.320 flat angles C4'-P-C4' energy: -188.795 flat angles P-C4'-P energy: -87.716 tors. eta vs tors. theta energy: -148.598 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: 381 Temperature: 1.250000 Total energy: -1456.910862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.910862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.910862 (E_RNA) where: Base-Base interactions energy: -844.143 where: short stacking energy: -405.485 Base-Backbone interact. energy: 2.939 local terms energy: -615.706100 where: bonds (distance) C4'-P energy: -162.212 bonds (distance) P-C4' energy: -171.804 flat angles C4'-P-C4' energy: -134.751 flat angles P-C4'-P energy: -90.414 tors. eta vs tors. theta energy: -56.525 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: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1126.518307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.518307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.518307 (E_RNA) where: Base-Base interactions energy: -621.557 where: short stacking energy: -315.836 Base-Backbone interact. energy: -3.530 local terms energy: -501.431237 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -152.503 flat angles C4'-P-C4' energy: -126.345 flat angles P-C4'-P energy: -64.810 tors. eta vs tors. theta energy: -12.099 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: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -695.691203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.691203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.691203 (E_RNA) where: Base-Base interactions energy: -259.899 where: short stacking energy: -212.321 Base-Backbone interact. energy: 2.976 local terms energy: -438.768260 where: bonds (distance) C4'-P energy: -142.546 bonds (distance) P-C4' energy: -142.104 flat angles C4'-P-C4' energy: -119.883 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: 31.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3161.254307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.254307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.254307 (E_RNA) where: Base-Base interactions energy: -2168.007 where: short stacking energy: -970.376 Base-Backbone interact. energy: -7.181 local terms energy: -986.066913 where: bonds (distance) C4'-P energy: -180.991 bonds (distance) P-C4' energy: -180.270 flat angles C4'-P-C4' energy: -209.392 flat angles P-C4'-P energy: -137.390 tors. eta vs tors. theta energy: -278.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3029.355597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.355597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.355597 (E_RNA) where: Base-Base interactions energy: -2039.491 where: short stacking energy: -958.769 Base-Backbone interact. energy: -4.383 local terms energy: -985.481979 where: bonds (distance) C4'-P energy: -169.643 bonds (distance) P-C4' energy: -175.969 flat angles C4'-P-C4' energy: -210.357 flat angles P-C4'-P energy: -138.887 tors. eta vs tors. theta energy: -290.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2890.927382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.927382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.927382 (E_RNA) where: Base-Base interactions energy: -1980.128 where: short stacking energy: -897.080 Base-Backbone interact. energy: -0.424 local terms energy: -910.375729 where: bonds (distance) C4'-P energy: -162.961 bonds (distance) P-C4' energy: -163.894 flat angles C4'-P-C4' energy: -197.540 flat angles P-C4'-P energy: -124.147 tors. eta vs tors. theta energy: -261.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2778.475850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.475850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.475850 (E_RNA) where: Base-Base interactions energy: -1883.857 where: short stacking energy: -871.505 Base-Backbone interact. energy: 1.944 local terms energy: -896.563176 where: bonds (distance) C4'-P energy: -164.556 bonds (distance) P-C4' energy: -159.695 flat angles C4'-P-C4' energy: -200.087 flat angles P-C4'-P energy: -116.986 tors. eta vs tors. theta energy: -255.239 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: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2516.216738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.216738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.216738 (E_RNA) where: Base-Base interactions energy: -1702.263 where: short stacking energy: -769.228 Base-Backbone interact. energy: -0.784 local terms energy: -813.168777 where: bonds (distance) C4'-P energy: -162.880 bonds (distance) P-C4' energy: -156.497 flat angles C4'-P-C4' energy: -182.188 flat angles P-C4'-P energy: -107.675 tors. eta vs tors. theta energy: -203.928 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: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2456.847221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.847221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.847221 (E_RNA) where: Base-Base interactions energy: -1655.088 where: short stacking energy: -734.328 Base-Backbone interact. energy: -0.681 local terms energy: -801.078389 where: bonds (distance) C4'-P energy: -158.542 bonds (distance) P-C4' energy: -160.142 flat angles C4'-P-C4' energy: -178.531 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -194.720 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: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2123.361890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.361890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.361890 (E_RNA) where: Base-Base interactions energy: -1392.210 where: short stacking energy: -623.609 Base-Backbone interact. energy: -5.292 local terms energy: -725.859354 where: bonds (distance) C4'-P energy: -155.037 bonds (distance) P-C4' energy: -159.475 flat angles C4'-P-C4' energy: -163.821 flat angles P-C4'-P energy: -76.056 tors. eta vs tors. theta energy: -171.471 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: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1495.008309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.008309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.008309 (E_RNA) where: Base-Base interactions energy: -876.978 where: short stacking energy: -446.223 Base-Backbone interact. energy: 7.153 local terms energy: -625.182887 where: bonds (distance) C4'-P energy: -146.479 bonds (distance) P-C4' energy: -162.507 flat angles C4'-P-C4' energy: -158.813 flat angles P-C4'-P energy: -102.526 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1047.557589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.557589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.557589 (E_RNA) where: Base-Base interactions energy: -546.488 where: short stacking energy: -276.642 Base-Backbone interact. energy: 5.708 local terms energy: -506.777864 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -166.487 flat angles C4'-P-C4' energy: -111.132 flat angles P-C4'-P energy: -80.972 tors. eta vs tors. theta energy: 2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -697.708911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.708911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.708911 (E_RNA) where: Base-Base interactions energy: -282.043 where: short stacking energy: -177.164 Base-Backbone interact. energy: 4.998 local terms energy: -420.664762 where: bonds (distance) C4'-P energy: -134.847 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -109.831 flat angles P-C4'-P energy: -72.019 tors. eta vs tors. theta energy: 29.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3129.162434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.162434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.162434 (E_RNA) where: Base-Base interactions energy: -2127.469 where: short stacking energy: -940.317 Base-Backbone interact. energy: -3.508 local terms energy: -998.185144 where: bonds (distance) C4'-P energy: -183.497 bonds (distance) P-C4' energy: -189.928 flat angles C4'-P-C4' energy: -218.190 flat angles P-C4'-P energy: -135.142 tors. eta vs tors. theta energy: -271.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3006.738755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.738755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.738755 (E_RNA) where: Base-Base interactions energy: -2053.971 where: short stacking energy: -936.120 Base-Backbone interact. energy: -2.031 local terms energy: -950.737283 where: bonds (distance) C4'-P energy: -179.228 bonds (distance) P-C4' energy: -171.778 flat angles C4'-P-C4' energy: -191.300 flat angles P-C4'-P energy: -142.887 tors. eta vs tors. theta energy: -265.544 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: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2882.897555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.897555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.897555 (E_RNA) where: Base-Base interactions energy: -1924.982 where: short stacking energy: -898.282 Base-Backbone interact. energy: -1.873 local terms energy: -956.043054 where: bonds (distance) C4'-P energy: -155.996 bonds (distance) P-C4' energy: -188.897 flat angles C4'-P-C4' energy: -210.586 flat angles P-C4'-P energy: -118.355 tors. eta vs tors. theta energy: -282.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2796.118254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.118254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.118254 (E_RNA) where: Base-Base interactions energy: -1868.297 where: short stacking energy: -838.316 Base-Backbone interact. energy: -4.974 local terms energy: -922.847214 where: bonds (distance) C4'-P energy: -180.238 bonds (distance) P-C4' energy: -176.049 flat angles C4'-P-C4' energy: -200.831 flat angles P-C4'-P energy: -109.119 tors. eta vs tors. theta energy: -256.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2544.681482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.681482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.681482 (E_RNA) where: Base-Base interactions energy: -1707.379 where: short stacking energy: -767.260 Base-Backbone interact. energy: -2.005 local terms energy: -835.297911 where: bonds (distance) C4'-P energy: -168.904 bonds (distance) P-C4' energy: -158.660 flat angles C4'-P-C4' energy: -187.949 flat angles P-C4'-P energy: -115.717 tors. eta vs tors. theta energy: -204.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2408.537889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.537889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.537889 (E_RNA) where: Base-Base interactions energy: -1649.162 where: short stacking energy: -752.420 Base-Backbone interact. energy: -0.467 local terms energy: -758.908443 where: bonds (distance) C4'-P energy: -137.014 bonds (distance) P-C4' energy: -149.506 flat angles C4'-P-C4' energy: -180.419 flat angles P-C4'-P energy: -93.324 tors. eta vs tors. theta energy: -198.646 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: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2111.860792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.860792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.860792 (E_RNA) where: Base-Base interactions energy: -1382.032 where: short stacking energy: -639.645 Base-Backbone interact. energy: -2.601 local terms energy: -727.228007 where: bonds (distance) C4'-P energy: -166.684 bonds (distance) P-C4' energy: -151.139 flat angles C4'-P-C4' energy: -151.588 flat angles P-C4'-P energy: -101.726 tors. eta vs tors. theta energy: -156.092 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: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1483.204206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.204206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.204206 (E_RNA) where: Base-Base interactions energy: -882.793 where: short stacking energy: -444.600 Base-Backbone interact. energy: -5.040 local terms energy: -595.371117 where: bonds (distance) C4'-P energy: -148.438 bonds (distance) P-C4' energy: -149.747 flat angles C4'-P-C4' energy: -160.562 flat angles P-C4'-P energy: -72.559 tors. eta vs tors. theta energy: -64.065 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: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1151.888699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.888699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.888699 (E_RNA) where: Base-Base interactions energy: -642.427 where: short stacking energy: -310.422 Base-Backbone interact. energy: 7.811 local terms energy: -517.272627 where: bonds (distance) C4'-P energy: -130.997 bonds (distance) P-C4' energy: -170.982 flat angles C4'-P-C4' energy: -116.183 flat angles P-C4'-P energy: -82.606 tors. eta vs tors. theta energy: -16.505 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: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -687.507189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.507189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.507189 (E_RNA) where: Base-Base interactions energy: -236.084 where: short stacking energy: -191.496 Base-Backbone interact. energy: 0.190 local terms energy: -451.613716 where: bonds (distance) C4'-P energy: -140.620 bonds (distance) P-C4' energy: -166.160 flat angles C4'-P-C4' energy: -107.830 flat angles P-C4'-P energy: -81.437 tors. eta vs tors. theta energy: 44.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3142.864742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.864742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.864742 (E_RNA) where: Base-Base interactions energy: -2155.133 where: short stacking energy: -954.276 Base-Backbone interact. energy: -1.727 local terms energy: -986.004573 where: bonds (distance) C4'-P energy: -169.952 bonds (distance) P-C4' energy: -187.397 flat angles C4'-P-C4' energy: -215.384 flat angles P-C4'-P energy: -143.233 tors. eta vs tors. theta energy: -270.040 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: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3046.333791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.333791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.333791 (E_RNA) where: Base-Base interactions energy: -2050.761 where: short stacking energy: -938.760 Base-Backbone interact. energy: -0.205 local terms energy: -995.367579 where: bonds (distance) C4'-P energy: -181.578 bonds (distance) P-C4' energy: -190.806 flat angles C4'-P-C4' energy: -206.651 flat angles P-C4'-P energy: -136.469 tors. eta vs tors. theta energy: -279.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2896.632368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.632368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.632368 (E_RNA) where: Base-Base interactions energy: -1954.970 where: short stacking energy: -901.958 Base-Backbone interact. energy: -3.650 local terms energy: -938.012304 where: bonds (distance) C4'-P energy: -158.155 bonds (distance) P-C4' energy: -162.945 flat angles C4'-P-C4' energy: -197.673 flat angles P-C4'-P energy: -135.948 tors. eta vs tors. theta energy: -283.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2760.259937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.259937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.259937 (E_RNA) where: Base-Base interactions energy: -1868.282 where: short stacking energy: -818.018 Base-Backbone interact. energy: -5.419 local terms energy: -886.559336 where: bonds (distance) C4'-P energy: -171.896 bonds (distance) P-C4' energy: -173.309 flat angles C4'-P-C4' energy: -191.727 flat angles P-C4'-P energy: -115.466 tors. eta vs tors. theta energy: -234.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2487.360927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.360927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.360927 (E_RNA) where: Base-Base interactions energy: -1650.248 where: short stacking energy: -695.284 Base-Backbone interact. energy: -3.516 local terms energy: -833.597270 where: bonds (distance) C4'-P energy: -180.372 bonds (distance) P-C4' energy: -178.850 flat angles C4'-P-C4' energy: -167.059 flat angles P-C4'-P energy: -109.699 tors. eta vs tors. theta energy: -197.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2429.811297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.811297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.811297 (E_RNA) where: Base-Base interactions energy: -1643.762 where: short stacking energy: -721.220 Base-Backbone interact. energy: -2.933 local terms energy: -783.116161 where: bonds (distance) C4'-P energy: -138.756 bonds (distance) P-C4' energy: -173.113 flat angles C4'-P-C4' energy: -188.254 flat angles P-C4'-P energy: -77.620 tors. eta vs tors. theta energy: -205.374 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: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1970.283710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.283710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.283710 (E_RNA) where: Base-Base interactions energy: -1270.007 where: short stacking energy: -583.458 Base-Backbone interact. energy: 1.345 local terms energy: -701.622001 where: bonds (distance) C4'-P energy: -147.059 bonds (distance) P-C4' energy: -168.667 flat angles C4'-P-C4' energy: -148.971 flat angles P-C4'-P energy: -102.864 tors. eta vs tors. theta energy: -134.061 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1526.081356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.081356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.081356 (E_RNA) where: Base-Base interactions energy: -910.320 where: short stacking energy: -457.873 Base-Backbone interact. energy: -1.024 local terms energy: -614.737443 where: bonds (distance) C4'-P energy: -133.575 bonds (distance) P-C4' energy: -142.495 flat angles C4'-P-C4' energy: -158.097 flat angles P-C4'-P energy: -102.306 tors. eta vs tors. theta energy: -78.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1206.377121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.377121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.377121 (E_RNA) where: Base-Base interactions energy: -680.654 where: short stacking energy: -373.772 Base-Backbone interact. energy: -0.388 local terms energy: -525.334993 where: bonds (distance) C4'-P energy: -148.651 bonds (distance) P-C4' energy: -137.661 flat angles C4'-P-C4' energy: -131.728 flat angles P-C4'-P energy: -70.464 tors. eta vs tors. theta energy: -36.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -699.368774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.368774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.368774 (E_RNA) where: Base-Base interactions energy: -274.374 where: short stacking energy: -220.419 Base-Backbone interact. energy: 2.293 local terms energy: -427.288082 where: bonds (distance) C4'-P energy: -134.486 bonds (distance) P-C4' energy: -160.531 flat angles C4'-P-C4' energy: -114.192 flat angles P-C4'-P energy: -45.881 tors. eta vs tors. theta energy: 27.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3153.086112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.086112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.086112 (E_RNA) where: Base-Base interactions energy: -2168.610 where: short stacking energy: -967.183 Base-Backbone interact. energy: -1.708 local terms energy: -982.768395 where: bonds (distance) C4'-P energy: -177.993 bonds (distance) P-C4' energy: -181.788 flat angles C4'-P-C4' energy: -205.534 flat angles P-C4'-P energy: -144.562 tors. eta vs tors. theta energy: -272.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2955.157809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.157809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.157809 (E_RNA) where: Base-Base interactions energy: -2003.314 where: short stacking energy: -903.616 Base-Backbone interact. energy: -3.407 local terms energy: -948.437468 where: bonds (distance) C4'-P energy: -168.577 bonds (distance) P-C4' energy: -184.278 flat angles C4'-P-C4' energy: -201.508 flat angles P-C4'-P energy: -125.714 tors. eta vs tors. theta energy: -268.360 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: 6 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2861.506933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.506933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.506933 (E_RNA) where: Base-Base interactions energy: -1907.113 where: short stacking energy: -896.507 Base-Backbone interact. energy: -3.382 local terms energy: -951.011736 where: bonds (distance) C4'-P energy: -175.116 bonds (distance) P-C4' energy: -181.834 flat angles C4'-P-C4' energy: -194.562 flat angles P-C4'-P energy: -131.951 tors. eta vs tors. theta energy: -267.550 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: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2767.018857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.018857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.018857 (E_RNA) where: Base-Base interactions energy: -1850.651 where: short stacking energy: -820.480 Base-Backbone interact. energy: -0.987 local terms energy: -915.381360 where: bonds (distance) C4'-P energy: -170.455 bonds (distance) P-C4' energy: -170.446 flat angles C4'-P-C4' energy: -190.473 flat angles P-C4'-P energy: -132.610 tors. eta vs tors. theta energy: -251.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2551.539722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.539722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.539722 (E_RNA) where: Base-Base interactions energy: -1710.318 where: short stacking energy: -752.998 Base-Backbone interact. energy: -2.611 local terms energy: -838.611024 where: bonds (distance) C4'-P energy: -165.569 bonds (distance) P-C4' energy: -179.160 flat angles C4'-P-C4' energy: -180.731 flat angles P-C4'-P energy: -115.105 tors. eta vs tors. theta energy: -198.046 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: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2452.566417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.566417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.566417 (E_RNA) where: Base-Base interactions energy: -1666.801 where: short stacking energy: -743.214 Base-Backbone interact. energy: -0.757 local terms energy: -785.008802 where: bonds (distance) C4'-P energy: -153.053 bonds (distance) P-C4' energy: -157.151 flat angles C4'-P-C4' energy: -188.740 flat angles P-C4'-P energy: -97.102 tors. eta vs tors. theta energy: -188.963 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: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1946.842905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.842905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.842905 (E_RNA) where: Base-Base interactions energy: -1271.089 where: short stacking energy: -596.192 Base-Backbone interact. energy: 3.044 local terms energy: -678.797780 where: bonds (distance) C4'-P energy: -140.559 bonds (distance) P-C4' energy: -125.155 flat angles C4'-P-C4' energy: -177.900 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -135.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1613.202617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.202617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.202617 (E_RNA) where: Base-Base interactions energy: -969.418 where: short stacking energy: -475.161 Base-Backbone interact. energy: 3.913 local terms energy: -647.698086 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -170.705 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -93.683 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: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1249.632513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.632513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.632513 (E_RNA) where: Base-Base interactions energy: -702.383 where: short stacking energy: -383.387 Base-Backbone interact. energy: -4.936 local terms energy: -542.313635 where: bonds (distance) C4'-P energy: -140.837 bonds (distance) P-C4' energy: -132.979 flat angles C4'-P-C4' energy: -148.633 flat angles P-C4'-P energy: -90.934 tors. eta vs tors. theta energy: -28.930 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: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -698.857158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.857158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.857158 (E_RNA) where: Base-Base interactions energy: -256.855 where: short stacking energy: -191.813 Base-Backbone interact. energy: -1.443 local terms energy: -440.558651 where: bonds (distance) C4'-P energy: -146.608 bonds (distance) P-C4' energy: -134.058 flat angles C4'-P-C4' energy: -133.866 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: 40.525 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3133.430961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.430961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.430961 (E_RNA) where: Base-Base interactions energy: -2144.307 where: short stacking energy: -928.348 Base-Backbone interact. energy: -3.194 local terms energy: -985.930658 where: bonds (distance) C4'-P energy: -180.709 bonds (distance) P-C4' energy: -173.264 flat angles C4'-P-C4' energy: -225.703 flat angles P-C4'-P energy: -147.577 tors. eta vs tors. theta energy: -258.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2995.015409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.015409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.015409 (E_RNA) where: Base-Base interactions energy: -2008.578 where: short stacking energy: -937.259 Base-Backbone interact. energy: 2.309 local terms energy: -988.746115 where: bonds (distance) C4'-P energy: -171.651 bonds (distance) P-C4' energy: -184.714 flat angles C4'-P-C4' energy: -200.010 flat angles P-C4'-P energy: -155.737 tors. eta vs tors. theta energy: -276.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2900.960082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.960082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.960082 (E_RNA) where: Base-Base interactions energy: -1917.028 where: short stacking energy: -879.641 Base-Backbone interact. energy: -1.584 local terms energy: -982.347756 where: bonds (distance) C4'-P energy: -179.030 bonds (distance) P-C4' energy: -177.634 flat angles C4'-P-C4' energy: -208.377 flat angles P-C4'-P energy: -151.010 tors. eta vs tors. theta energy: -266.297 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: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2771.238661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.238661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.238661 (E_RNA) where: Base-Base interactions energy: -1886.137 where: short stacking energy: -809.620 Base-Backbone interact. energy: -0.617 local terms energy: -884.485637 where: bonds (distance) C4'-P energy: -152.064 bonds (distance) P-C4' energy: -173.973 flat angles C4'-P-C4' energy: -199.508 flat angles P-C4'-P energy: -124.641 tors. eta vs tors. theta energy: -234.298 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: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2556.237401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.237401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.237401 (E_RNA) where: Base-Base interactions energy: -1741.312 where: short stacking energy: -770.950 Base-Backbone interact. energy: 2.808 local terms energy: -817.733920 where: bonds (distance) C4'-P energy: -146.618 bonds (distance) P-C4' energy: -156.561 flat angles C4'-P-C4' energy: -187.447 flat angles P-C4'-P energy: -121.122 tors. eta vs tors. theta energy: -205.986 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: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2387.395144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.395144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.395144 (E_RNA) where: Base-Base interactions energy: -1593.947 where: short stacking energy: -728.007 Base-Backbone interact. energy: -4.878 local terms energy: -788.569861 where: bonds (distance) C4'-P energy: -157.453 bonds (distance) P-C4' energy: -152.431 flat angles C4'-P-C4' energy: -179.988 flat angles P-C4'-P energy: -105.090 tors. eta vs tors. theta energy: -193.608 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: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2024.405832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.405832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.405832 (E_RNA) where: Base-Base interactions energy: -1278.376 where: short stacking energy: -608.754 Base-Backbone interact. energy: -3.868 local terms energy: -742.161798 where: bonds (distance) C4'-P energy: -152.803 bonds (distance) P-C4' energy: -162.269 flat angles C4'-P-C4' energy: -162.951 flat angles P-C4'-P energy: -116.461 tors. eta vs tors. theta energy: -147.678 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: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1539.100388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.100388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.100388 (E_RNA) where: Base-Base interactions energy: -931.257 where: short stacking energy: -456.064 Base-Backbone interact. energy: -0.553 local terms energy: -607.289946 where: bonds (distance) C4'-P energy: -153.571 bonds (distance) P-C4' energy: -137.572 flat angles C4'-P-C4' energy: -153.433 flat angles P-C4'-P energy: -90.368 tors. eta vs tors. theta energy: -72.346 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: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1149.482408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.482408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.482408 (E_RNA) where: Base-Base interactions energy: -628.687 where: short stacking energy: -318.570 Base-Backbone interact. energy: 2.147 local terms energy: -522.942811 where: bonds (distance) C4'-P energy: -117.646 bonds (distance) P-C4' energy: -183.736 flat angles C4'-P-C4' energy: -122.923 flat angles P-C4'-P energy: -97.179 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -660.399198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.399198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.399198 (E_RNA) where: Base-Base interactions energy: -235.149 where: short stacking energy: -195.246 Base-Backbone interact. energy: -2.074 local terms energy: -423.176537 where: bonds (distance) C4'-P energy: -119.586 bonds (distance) P-C4' energy: -148.645 flat angles C4'-P-C4' energy: -101.602 flat angles P-C4'-P energy: -77.395 tors. eta vs tors. theta energy: 24.050 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: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3165.092385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.092385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.092385 (E_RNA) where: Base-Base interactions energy: -2156.543 where: short stacking energy: -954.218 Base-Backbone interact. energy: -1.039 local terms energy: -1007.510691 where: bonds (distance) C4'-P energy: -183.471 bonds (distance) P-C4' energy: -182.481 flat angles C4'-P-C4' energy: -217.099 flat angles P-C4'-P energy: -153.296 tors. eta vs tors. theta energy: -271.163 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: 387 Temperature: 0.950000 Total energy: -3009.406181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.406181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.406181 (E_RNA) where: Base-Base interactions energy: -2027.239 where: short stacking energy: -953.046 Base-Backbone interact. energy: 0.636 local terms energy: -982.802720 where: bonds (distance) C4'-P energy: -167.890 bonds (distance) P-C4' energy: -168.427 flat angles C4'-P-C4' energy: -217.128 flat angles P-C4'-P energy: -149.788 tors. eta vs tors. theta energy: -279.570 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: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2905.434067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.434067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.434067 (E_RNA) where: Base-Base interactions energy: -1926.631 where: short stacking energy: -899.860 Base-Backbone interact. energy: -0.056 local terms energy: -978.747279 where: bonds (distance) C4'-P energy: -162.230 bonds (distance) P-C4' energy: -176.229 flat angles C4'-P-C4' energy: -215.624 flat angles P-C4'-P energy: -146.829 tors. eta vs tors. theta energy: -277.836 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: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2794.766645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.766645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.766645 (E_RNA) where: Base-Base interactions energy: -1905.226 where: short stacking energy: -872.820 Base-Backbone interact. energy: -1.534 local terms energy: -888.006067 where: bonds (distance) C4'-P energy: -151.589 bonds (distance) P-C4' energy: -169.361 flat angles C4'-P-C4' energy: -201.053 flat angles P-C4'-P energy: -116.631 tors. eta vs tors. theta energy: -249.373 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: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2518.538033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.538033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.538033 (E_RNA) where: Base-Base interactions energy: -1664.092 where: short stacking energy: -733.997 Base-Backbone interact. energy: -3.199 local terms energy: -851.246816 where: bonds (distance) C4'-P energy: -186.705 bonds (distance) P-C4' energy: -178.148 flat angles C4'-P-C4' energy: -168.890 flat angles P-C4'-P energy: -121.969 tors. eta vs tors. theta energy: -195.534 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: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2367.498051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.498051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.498051 (E_RNA) where: Base-Base interactions energy: -1563.570 where: short stacking energy: -728.053 Base-Backbone interact. energy: 1.557 local terms energy: -805.484908 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -164.749 flat angles C4'-P-C4' energy: -176.889 flat angles P-C4'-P energy: -106.442 tors. eta vs tors. theta energy: -204.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2157.444735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.444735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.444735 (E_RNA) where: Base-Base interactions energy: -1403.865 where: short stacking energy: -611.802 Base-Backbone interact. energy: 0.114 local terms energy: -753.693350 where: bonds (distance) C4'-P energy: -156.227 bonds (distance) P-C4' energy: -162.366 flat angles C4'-P-C4' energy: -173.576 flat angles P-C4'-P energy: -109.830 tors. eta vs tors. theta energy: -151.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1566.580362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.580362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.580362 (E_RNA) where: Base-Base interactions energy: -931.540 where: short stacking energy: -466.374 Base-Backbone interact. energy: -1.215 local terms energy: -633.825153 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -153.625 flat angles C4'-P-C4' energy: -136.442 flat angles P-C4'-P energy: -103.678 tors. eta vs tors. theta energy: -83.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1240.335883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.335883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.335883 (E_RNA) where: Base-Base interactions energy: -701.226 where: short stacking energy: -410.066 Base-Backbone interact. energy: -4.392 local terms energy: -534.717500 where: bonds (distance) C4'-P energy: -113.203 bonds (distance) P-C4' energy: -157.271 flat angles C4'-P-C4' energy: -146.946 flat angles P-C4'-P energy: -79.335 tors. eta vs tors. theta energy: -37.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -711.459801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.459801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.459801 (E_RNA) where: Base-Base interactions energy: -244.101 where: short stacking energy: -179.956 Base-Backbone interact. energy: 2.095 local terms energy: -469.453789 where: bonds (distance) C4'-P energy: -150.536 bonds (distance) P-C4' energy: -148.609 flat angles C4'-P-C4' energy: -130.836 flat angles P-C4'-P energy: -84.438 tors. eta vs tors. theta energy: 44.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3128.425794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.425794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.425794 (E_RNA) where: Base-Base interactions energy: -2131.709 where: short stacking energy: -955.973 Base-Backbone interact. energy: 0.062 local terms energy: -996.778526 where: bonds (distance) C4'-P energy: -178.755 bonds (distance) P-C4' energy: -175.767 flat angles C4'-P-C4' energy: -213.357 flat angles P-C4'-P energy: -151.267 tors. eta vs tors. theta energy: -277.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2944.206633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.206633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.206633 (E_RNA) where: Base-Base interactions energy: -1973.226 where: short stacking energy: -908.201 Base-Backbone interact. energy: -1.210 local terms energy: -969.770498 where: bonds (distance) C4'-P energy: -181.653 bonds (distance) P-C4' energy: -186.583 flat angles C4'-P-C4' energy: -207.258 flat angles P-C4'-P energy: -135.311 tors. eta vs tors. theta energy: -258.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2898.689687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.689687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.689687 (E_RNA) where: Base-Base interactions energy: -1922.563 where: short stacking energy: -901.117 Base-Backbone interact. energy: -1.702 local terms energy: -974.425380 where: bonds (distance) C4'-P energy: -185.918 bonds (distance) P-C4' energy: -164.500 flat angles C4'-P-C4' energy: -206.104 flat angles P-C4'-P energy: -139.370 tors. eta vs tors. theta energy: -278.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2736.607339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.607339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.607339 (E_RNA) where: Base-Base interactions energy: -1841.905 where: short stacking energy: -836.288 Base-Backbone interact. energy: -5.505 local terms energy: -889.197152 where: bonds (distance) C4'-P energy: -160.457 bonds (distance) P-C4' energy: -173.938 flat angles C4'-P-C4' energy: -199.726 flat angles P-C4'-P energy: -112.892 tors. eta vs tors. theta energy: -242.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2518.270030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.270030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.270030 (E_RNA) where: Base-Base interactions energy: -1681.550 where: short stacking energy: -754.771 Base-Backbone interact. energy: 0.500 local terms energy: -837.220390 where: bonds (distance) C4'-P energy: -170.793 bonds (distance) P-C4' energy: -167.681 flat angles C4'-P-C4' energy: -183.280 flat angles P-C4'-P energy: -119.779 tors. eta vs tors. theta energy: -195.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2395.281346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.281346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.281346 (E_RNA) where: Base-Base interactions energy: -1592.016 where: short stacking energy: -734.115 Base-Backbone interact. energy: 4.482 local terms energy: -807.747222 where: bonds (distance) C4'-P energy: -145.749 bonds (distance) P-C4' energy: -167.402 flat angles C4'-P-C4' energy: -184.187 flat angles P-C4'-P energy: -109.495 tors. eta vs tors. theta energy: -200.915 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: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2099.889912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.889912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.889912 (E_RNA) where: Base-Base interactions energy: -1400.248 where: short stacking energy: -619.271 Base-Backbone interact. energy: 0.490 local terms energy: -700.132093 where: bonds (distance) C4'-P energy: -144.275 bonds (distance) P-C4' energy: -152.625 flat angles C4'-P-C4' energy: -164.618 flat angles P-C4'-P energy: -94.830 tors. eta vs tors. theta energy: -143.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1508.611723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.611723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.611723 (E_RNA) where: Base-Base interactions energy: -885.471 where: short stacking energy: -440.553 Base-Backbone interact. energy: 4.257 local terms energy: -627.398081 where: bonds (distance) C4'-P energy: -152.170 bonds (distance) P-C4' energy: -157.333 flat angles C4'-P-C4' energy: -148.854 flat angles P-C4'-P energy: -91.896 tors. eta vs tors. theta energy: -77.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1255.017689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.017689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.017689 (E_RNA) where: Base-Base interactions energy: -718.694 where: short stacking energy: -381.190 Base-Backbone interact. energy: 2.012 local terms energy: -538.335376 where: bonds (distance) C4'-P energy: -148.838 bonds (distance) P-C4' energy: -158.446 flat angles C4'-P-C4' energy: -114.660 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: -40.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -714.493909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.493909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.493909 (E_RNA) where: Base-Base interactions energy: -300.735 where: short stacking energy: -234.020 Base-Backbone interact. energy: -5.389 local terms energy: -408.370292 where: bonds (distance) C4'-P energy: -121.226 bonds (distance) P-C4' energy: -131.337 flat angles C4'-P-C4' energy: -122.212 flat angles P-C4'-P energy: -60.580 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: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3157.128426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.128426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.128426 (E_RNA) where: Base-Base interactions energy: -2176.843 where: short stacking energy: -944.017 Base-Backbone interact. energy: -3.090 local terms energy: -977.194681 where: bonds (distance) C4'-P energy: -161.986 bonds (distance) P-C4' energy: -189.674 flat angles C4'-P-C4' energy: -213.791 flat angles P-C4'-P energy: -134.843 tors. eta vs tors. theta energy: -276.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2978.421235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.421235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.421235 (E_RNA) where: Base-Base interactions energy: -1999.110 where: short stacking energy: -921.010 Base-Backbone interact. energy: -4.739 local terms energy: -974.572156 where: bonds (distance) C4'-P energy: -168.382 bonds (distance) P-C4' energy: -186.304 flat angles C4'-P-C4' energy: -195.530 flat angles P-C4'-P energy: -139.423 tors. eta vs tors. theta energy: -284.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2907.604594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.604594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.604594 (E_RNA) where: Base-Base interactions energy: -1968.755 where: short stacking energy: -940.810 Base-Backbone interact. energy: 0.252 local terms energy: -939.101771 where: bonds (distance) C4'-P energy: -169.983 bonds (distance) P-C4' energy: -157.979 flat angles C4'-P-C4' energy: -217.507 flat angles P-C4'-P energy: -116.359 tors. eta vs tors. theta energy: -277.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2685.317605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.317605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.317605 (E_RNA) where: Base-Base interactions energy: -1820.733 where: short stacking energy: -793.669 Base-Backbone interact. energy: -2.920 local terms energy: -861.664677 where: bonds (distance) C4'-P energy: -155.279 bonds (distance) P-C4' energy: -164.608 flat angles C4'-P-C4' energy: -183.015 flat angles P-C4'-P energy: -138.389 tors. eta vs tors. theta energy: -220.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2547.985399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.985399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.985399 (E_RNA) where: Base-Base interactions energy: -1701.614 where: short stacking energy: -752.061 Base-Backbone interact. energy: -3.977 local terms energy: -842.394885 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -180.506 flat angles C4'-P-C4' energy: -189.762 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -205.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2359.379203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.379203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.379203 (E_RNA) where: Base-Base interactions energy: -1578.943 where: short stacking energy: -701.575 Base-Backbone interact. energy: 3.421 local terms energy: -783.856486 where: bonds (distance) C4'-P energy: -151.527 bonds (distance) P-C4' energy: -166.872 flat angles C4'-P-C4' energy: -179.359 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -186.879 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: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2104.416719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.416719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.416719 (E_RNA) where: Base-Base interactions energy: -1370.042 where: short stacking energy: -597.948 Base-Backbone interact. energy: -0.254 local terms energy: -734.120997 where: bonds (distance) C4'-P energy: -166.958 bonds (distance) P-C4' energy: -168.072 flat angles C4'-P-C4' energy: -158.507 flat angles P-C4'-P energy: -100.695 tors. eta vs tors. theta energy: -139.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1527.785971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.785971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.785971 (E_RNA) where: Base-Base interactions energy: -875.314 where: short stacking energy: -405.829 Base-Backbone interact. energy: 1.325 local terms energy: -653.797097 where: bonds (distance) C4'-P energy: -158.915 bonds (distance) P-C4' energy: -167.477 flat angles C4'-P-C4' energy: -147.245 flat angles P-C4'-P energy: -86.602 tors. eta vs tors. theta energy: -93.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1440.422204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.422204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.422204 (E_RNA) where: Base-Base interactions energy: -865.507 where: short stacking energy: -396.288 Base-Backbone interact. energy: -2.976 local terms energy: -571.939115 where: bonds (distance) C4'-P energy: -144.731 bonds (distance) P-C4' energy: -144.675 flat angles C4'-P-C4' energy: -139.151 flat angles P-C4'-P energy: -90.643 tors. eta vs tors. theta energy: -52.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -717.443939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.443939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.443939 (E_RNA) where: Base-Base interactions energy: -270.966 where: short stacking energy: -186.146 Base-Backbone interact. energy: 0.352 local terms energy: -446.829687 where: bonds (distance) C4'-P energy: -136.039 bonds (distance) P-C4' energy: -172.612 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -56.126 tors. eta vs tors. theta energy: 45.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3140.629212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.629212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.629212 (E_RNA) where: Base-Base interactions energy: -2144.852 where: short stacking energy: -940.031 Base-Backbone interact. energy: -5.210 local terms energy: -990.567382 where: bonds (distance) C4'-P energy: -190.444 bonds (distance) P-C4' energy: -151.116 flat angles C4'-P-C4' energy: -224.423 flat angles P-C4'-P energy: -148.434 tors. eta vs tors. theta energy: -276.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2982.466624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.466624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.466624 (E_RNA) where: Base-Base interactions energy: -1999.844 where: short stacking energy: -961.072 Base-Backbone interact. energy: -2.105 local terms energy: -980.517450 where: bonds (distance) C4'-P energy: -168.174 bonds (distance) P-C4' energy: -188.359 flat angles C4'-P-C4' energy: -196.327 flat angles P-C4'-P energy: -145.144 tors. eta vs tors. theta energy: -282.513 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: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2855.622647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.622647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.622647 (E_RNA) where: Base-Base interactions energy: -1921.034 where: short stacking energy: -864.768 Base-Backbone interact. energy: -3.726 local terms energy: -930.862356 where: bonds (distance) C4'-P energy: -159.963 bonds (distance) P-C4' energy: -170.780 flat angles C4'-P-C4' energy: -195.015 flat angles P-C4'-P energy: -143.164 tors. eta vs tors. theta energy: -261.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2672.619581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.619581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.619581 (E_RNA) where: Base-Base interactions energy: -1789.214 where: short stacking energy: -801.274 Base-Backbone interact. energy: -5.910 local terms energy: -877.494944 where: bonds (distance) C4'-P energy: -184.185 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -181.594 flat angles P-C4'-P energy: -142.600 tors. eta vs tors. theta energy: -225.715 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: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2566.506768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.506768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.506768 (E_RNA) where: Base-Base interactions energy: -1720.272 where: short stacking energy: -763.692 Base-Backbone interact. energy: -0.056 local terms energy: -846.178728 where: bonds (distance) C4'-P energy: -156.339 bonds (distance) P-C4' energy: -168.055 flat angles C4'-P-C4' energy: -198.871 flat angles P-C4'-P energy: -115.007 tors. eta vs tors. theta energy: -207.906 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: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2354.820134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.820134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.820134 (E_RNA) where: Base-Base interactions energy: -1531.124 where: short stacking energy: -707.490 Base-Backbone interact. energy: 0.312 local terms energy: -824.008355 where: bonds (distance) C4'-P energy: -173.510 bonds (distance) P-C4' energy: -188.401 flat angles C4'-P-C4' energy: -187.481 flat angles P-C4'-P energy: -92.967 tors. eta vs tors. theta energy: -181.649 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: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2097.067473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.067473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.067473 (E_RNA) where: Base-Base interactions energy: -1373.036 where: short stacking energy: -652.193 Base-Backbone interact. energy: -1.939 local terms energy: -722.092222 where: bonds (distance) C4'-P energy: -155.330 bonds (distance) P-C4' energy: -151.562 flat angles C4'-P-C4' energy: -155.889 flat angles P-C4'-P energy: -94.991 tors. eta vs tors. theta energy: -164.321 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: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1523.289537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.289537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.289537 (E_RNA) where: Base-Base interactions energy: -901.400 where: short stacking energy: -456.061 Base-Backbone interact. energy: -2.494 local terms energy: -619.394768 where: bonds (distance) C4'-P energy: -170.155 bonds (distance) P-C4' energy: -137.835 flat angles C4'-P-C4' energy: -148.633 flat angles P-C4'-P energy: -103.332 tors. eta vs tors. theta energy: -59.440 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: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1469.341298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.341298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.341298 (E_RNA) where: Base-Base interactions energy: -862.839 where: short stacking energy: -416.100 Base-Backbone interact. energy: -2.744 local terms energy: -603.757817 where: bonds (distance) C4'-P energy: -149.154 bonds (distance) P-C4' energy: -165.205 flat angles C4'-P-C4' energy: -154.125 flat angles P-C4'-P energy: -84.828 tors. eta vs tors. theta energy: -50.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -742.697207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.697207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.697207 (E_RNA) where: Base-Base interactions energy: -308.878 where: short stacking energy: -244.767 Base-Backbone interact. energy: 6.129 local terms energy: -439.948232 where: bonds (distance) C4'-P energy: -136.551 bonds (distance) P-C4' energy: -156.266 flat angles C4'-P-C4' energy: -111.509 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: 24.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3147.217704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.217704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.217704 (E_RNA) where: Base-Base interactions energy: -2142.532 where: short stacking energy: -925.717 Base-Backbone interact. energy: -4.962 local terms energy: -999.723213 where: bonds (distance) C4'-P energy: -190.540 bonds (distance) P-C4' energy: -188.180 flat angles C4'-P-C4' energy: -212.324 flat angles P-C4'-P energy: -137.874 tors. eta vs tors. theta energy: -270.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2977.931445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.931445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.931445 (E_RNA) where: Base-Base interactions energy: -1998.450 where: short stacking energy: -937.079 Base-Backbone interact. energy: -0.730 local terms energy: -978.751982 where: bonds (distance) C4'-P energy: -167.809 bonds (distance) P-C4' energy: -162.110 flat angles C4'-P-C4' energy: -223.727 flat angles P-C4'-P energy: -145.400 tors. eta vs tors. theta energy: -279.706 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: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2847.689402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.689402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.689402 (E_RNA) where: Base-Base interactions energy: -1882.037 where: short stacking energy: -870.670 Base-Backbone interact. energy: -1.960 local terms energy: -963.692029 where: bonds (distance) C4'-P energy: -183.943 bonds (distance) P-C4' energy: -171.072 flat angles C4'-P-C4' energy: -207.317 flat angles P-C4'-P energy: -137.100 tors. eta vs tors. theta energy: -264.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2719.498419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.498419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.498419 (E_RNA) where: Base-Base interactions energy: -1807.857 where: short stacking energy: -806.412 Base-Backbone interact. energy: -3.693 local terms energy: -907.948640 where: bonds (distance) C4'-P energy: -163.165 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -193.712 flat angles P-C4'-P energy: -147.267 tors. eta vs tors. theta energy: -234.553 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: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2520.442115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.442115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.442115 (E_RNA) where: Base-Base interactions energy: -1697.437 where: short stacking energy: -720.434 Base-Backbone interact. energy: -2.477 local terms energy: -820.528098 where: bonds (distance) C4'-P energy: -152.372 bonds (distance) P-C4' energy: -182.018 flat angles C4'-P-C4' energy: -181.874 flat angles P-C4'-P energy: -113.685 tors. eta vs tors. theta energy: -190.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2357.764805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.764805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.764805 (E_RNA) where: Base-Base interactions energy: -1543.253 where: short stacking energy: -697.782 Base-Backbone interact. energy: 0.853 local terms energy: -815.365057 where: bonds (distance) C4'-P energy: -162.483 bonds (distance) P-C4' energy: -166.144 flat angles C4'-P-C4' energy: -179.641 flat angles P-C4'-P energy: -98.874 tors. eta vs tors. theta energy: -208.224 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: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2060.969959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.969959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.969959 (E_RNA) where: Base-Base interactions energy: -1354.511 where: short stacking energy: -632.242 Base-Backbone interact. energy: -2.358 local terms energy: -704.100070 where: bonds (distance) C4'-P energy: -145.998 bonds (distance) P-C4' energy: -157.918 flat angles C4'-P-C4' energy: -162.260 flat angles P-C4'-P energy: -85.711 tors. eta vs tors. theta energy: -152.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1492.718818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.718818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.718818 (E_RNA) where: Base-Base interactions energy: -867.592 where: short stacking energy: -464.779 Base-Backbone interact. energy: -1.545 local terms energy: -623.582329 where: bonds (distance) C4'-P energy: -131.580 bonds (distance) P-C4' energy: -161.200 flat angles C4'-P-C4' energy: -151.349 flat angles P-C4'-P energy: -102.713 tors. eta vs tors. theta energy: -76.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1299.664768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.664768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.664768 (E_RNA) where: Base-Base interactions energy: -761.667 where: short stacking energy: -362.853 Base-Backbone interact. energy: -0.074 local terms energy: -537.923334 where: bonds (distance) C4'-P energy: -142.270 bonds (distance) P-C4' energy: -150.227 flat angles C4'-P-C4' energy: -122.526 flat angles P-C4'-P energy: -69.186 tors. eta vs tors. theta energy: -53.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -711.727604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.727604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.727604 (E_RNA) where: Base-Base interactions energy: -272.870 where: short stacking energy: -197.228 Base-Backbone interact. energy: 10.792 local terms energy: -449.650217 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -160.811 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -71.137 tors. eta vs tors. theta energy: 23.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3134.821769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.821769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.821769 (E_RNA) where: Base-Base interactions energy: -2112.255 where: short stacking energy: -976.005 Base-Backbone interact. energy: -3.379 local terms energy: -1019.187650 where: bonds (distance) C4'-P energy: -180.255 bonds (distance) P-C4' energy: -190.245 flat angles C4'-P-C4' energy: -212.883 flat angles P-C4'-P energy: -144.911 tors. eta vs tors. theta energy: -290.894 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: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2964.212708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.212708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.212708 (E_RNA) where: Base-Base interactions energy: -1977.364 where: short stacking energy: -924.341 Base-Backbone interact. energy: 0.273 local terms energy: -987.120994 where: bonds (distance) C4'-P energy: -178.796 bonds (distance) P-C4' energy: -186.995 flat angles C4'-P-C4' energy: -199.700 flat angles P-C4'-P energy: -152.322 tors. eta vs tors. theta energy: -269.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2916.147049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.147049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.147049 (E_RNA) where: Base-Base interactions energy: -1929.034 where: short stacking energy: -895.179 Base-Backbone interact. energy: -1.892 local terms energy: -985.220926 where: bonds (distance) C4'-P energy: -178.996 bonds (distance) P-C4' energy: -185.633 flat angles C4'-P-C4' energy: -209.781 flat angles P-C4'-P energy: -134.687 tors. eta vs tors. theta energy: -276.124 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: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2766.726326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.726326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.726326 (E_RNA) where: Base-Base interactions energy: -1858.789 where: short stacking energy: -838.318 Base-Backbone interact. energy: -5.021 local terms energy: -902.915734 where: bonds (distance) C4'-P energy: -165.196 bonds (distance) P-C4' energy: -171.585 flat angles C4'-P-C4' energy: -186.561 flat angles P-C4'-P energy: -147.511 tors. eta vs tors. theta energy: -232.062 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: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2616.083140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.083140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.083140 (E_RNA) where: Base-Base interactions energy: -1806.324 where: short stacking energy: -764.405 Base-Backbone interact. energy: -4.058 local terms energy: -805.701289 where: bonds (distance) C4'-P energy: -139.620 bonds (distance) P-C4' energy: -164.680 flat angles C4'-P-C4' energy: -189.181 flat angles P-C4'-P energy: -112.642 tors. eta vs tors. theta energy: -199.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2422.738992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.738992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.738992 (E_RNA) where: Base-Base interactions energy: -1625.373 where: short stacking energy: -701.231 Base-Backbone interact. energy: 9.102 local terms energy: -806.467859 where: bonds (distance) C4'-P energy: -166.064 bonds (distance) P-C4' energy: -160.546 flat angles C4'-P-C4' energy: -192.063 flat angles P-C4'-P energy: -110.008 tors. eta vs tors. theta energy: -177.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2112.551942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.551942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.551942 (E_RNA) where: Base-Base interactions energy: -1380.256 where: short stacking energy: -616.162 Base-Backbone interact. energy: 1.061 local terms energy: -733.356837 where: bonds (distance) C4'-P energy: -153.918 bonds (distance) P-C4' energy: -151.654 flat angles C4'-P-C4' energy: -183.071 flat angles P-C4'-P energy: -85.409 tors. eta vs tors. theta energy: -159.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1452.397300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.397300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.397300 (E_RNA) where: Base-Base interactions energy: -826.581 where: short stacking energy: -432.136 Base-Backbone interact. energy: -3.666 local terms energy: -622.149997 where: bonds (distance) C4'-P energy: -146.714 bonds (distance) P-C4' energy: -171.646 flat angles C4'-P-C4' energy: -133.430 flat angles P-C4'-P energy: -96.911 tors. eta vs tors. theta energy: -73.449 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: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1199.274125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.274125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.274125 (E_RNA) where: Base-Base interactions energy: -654.832 where: short stacking energy: -339.683 Base-Backbone interact. energy: -0.718 local terms energy: -543.723581 where: bonds (distance) C4'-P energy: -139.037 bonds (distance) P-C4' energy: -181.829 flat angles C4'-P-C4' energy: -121.191 flat angles P-C4'-P energy: -86.571 tors. eta vs tors. theta energy: -15.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -798.552118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.552118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.552118 (E_RNA) where: Base-Base interactions energy: -304.369 where: short stacking energy: -209.820 Base-Backbone interact. energy: 1.915 local terms energy: -496.098372 where: bonds (distance) C4'-P energy: -130.058 bonds (distance) P-C4' energy: -156.182 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -80.570 tors. eta vs tors. theta energy: 2.294 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: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3122.870241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.870241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.870241 (E_RNA) where: Base-Base interactions energy: -2093.030 where: short stacking energy: -929.946 Base-Backbone interact. energy: -0.956 local terms energy: -1028.884773 where: bonds (distance) C4'-P energy: -199.599 bonds (distance) P-C4' energy: -186.984 flat angles C4'-P-C4' energy: -219.382 flat angles P-C4'-P energy: -144.814 tors. eta vs tors. theta energy: -278.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2929.508590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.508590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.508590 (E_RNA) where: Base-Base interactions energy: -1976.097 where: short stacking energy: -881.137 Base-Backbone interact. energy: -5.899 local terms energy: -947.513464 where: bonds (distance) C4'-P energy: -175.315 bonds (distance) P-C4' energy: -173.916 flat angles C4'-P-C4' energy: -196.090 flat angles P-C4'-P energy: -135.067 tors. eta vs tors. theta energy: -267.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2936.187956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.187956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.187956 (E_RNA) where: Base-Base interactions energy: -1961.262 where: short stacking energy: -926.866 Base-Backbone interact. energy: 0.932 local terms energy: -975.857584 where: bonds (distance) C4'-P energy: -192.565 bonds (distance) P-C4' energy: -176.494 flat angles C4'-P-C4' energy: -196.845 flat angles P-C4'-P energy: -136.187 tors. eta vs tors. theta energy: -273.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2752.834826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.834826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.834826 (E_RNA) where: Base-Base interactions energy: -1893.767 where: short stacking energy: -840.417 Base-Backbone interact. energy: -0.073 local terms energy: -858.995524 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -151.813 flat angles C4'-P-C4' energy: -193.679 flat angles P-C4'-P energy: -121.417 tors. eta vs tors. theta energy: -235.346 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: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2551.457356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.457356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.457356 (E_RNA) where: Base-Base interactions energy: -1732.147 where: short stacking energy: -752.175 Base-Backbone interact. energy: -3.638 local terms energy: -815.672385 where: bonds (distance) C4'-P energy: -159.732 bonds (distance) P-C4' energy: -172.539 flat angles C4'-P-C4' energy: -170.351 flat angles P-C4'-P energy: -114.563 tors. eta vs tors. theta energy: -198.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2454.460843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.460843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.460843 (E_RNA) where: Base-Base interactions energy: -1631.514 where: short stacking energy: -748.945 Base-Backbone interact. energy: 5.018 local terms energy: -827.965470 where: bonds (distance) C4'-P energy: -154.245 bonds (distance) P-C4' energy: -146.042 flat angles C4'-P-C4' energy: -186.034 flat angles P-C4'-P energy: -120.105 tors. eta vs tors. theta energy: -221.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2098.355344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.355344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.355344 (E_RNA) where: Base-Base interactions energy: -1370.209 where: short stacking energy: -612.725 Base-Backbone interact. energy: -3.588 local terms energy: -724.558546 where: bonds (distance) C4'-P energy: -139.525 bonds (distance) P-C4' energy: -159.442 flat angles C4'-P-C4' energy: -158.854 flat angles P-C4'-P energy: -106.378 tors. eta vs tors. theta energy: -160.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1465.050638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.050638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.050638 (E_RNA) where: Base-Base interactions energy: -871.904 where: short stacking energy: -453.000 Base-Backbone interact. energy: -2.957 local terms energy: -590.190249 where: bonds (distance) C4'-P energy: -120.448 bonds (distance) P-C4' energy: -149.423 flat angles C4'-P-C4' energy: -150.575 flat angles P-C4'-P energy: -87.059 tors. eta vs tors. theta energy: -82.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1315.760095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.760095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.760095 (E_RNA) where: Base-Base interactions energy: -762.938 where: short stacking energy: -377.315 Base-Backbone interact. energy: 1.909 local terms energy: -554.731364 where: bonds (distance) C4'-P energy: -129.473 bonds (distance) P-C4' energy: -151.378 flat angles C4'-P-C4' energy: -154.531 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -50.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -747.307635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.307635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.307635 (E_RNA) where: Base-Base interactions energy: -267.648 where: short stacking energy: -187.961 Base-Backbone interact. energy: -2.320 local terms energy: -477.339108 where: bonds (distance) C4'-P energy: -148.603 bonds (distance) P-C4' energy: -160.164 flat angles C4'-P-C4' energy: -120.971 flat angles P-C4'-P energy: -84.322 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: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3140.643864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.643864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.643864 (E_RNA) where: Base-Base interactions energy: -2149.098 where: short stacking energy: -947.089 Base-Backbone interact. energy: -2.313 local terms energy: -989.232991 where: bonds (distance) C4'-P energy: -179.037 bonds (distance) P-C4' energy: -179.296 flat angles C4'-P-C4' energy: -204.911 flat angles P-C4'-P energy: -154.686 tors. eta vs tors. theta energy: -271.303 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: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2959.993006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.993006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.993006 (E_RNA) where: Base-Base interactions energy: -1995.828 where: short stacking energy: -928.685 Base-Backbone interact. energy: 0.043 local terms energy: -964.208022 where: bonds (distance) C4'-P energy: -182.167 bonds (distance) P-C4' energy: -171.707 flat angles C4'-P-C4' energy: -190.903 flat angles P-C4'-P energy: -149.649 tors. eta vs tors. theta energy: -269.783 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: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2887.991959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.991959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.991959 (E_RNA) where: Base-Base interactions energy: -1930.859 where: short stacking energy: -872.120 Base-Backbone interact. energy: -4.938 local terms energy: -952.194794 where: bonds (distance) C4'-P energy: -170.181 bonds (distance) P-C4' energy: -177.414 flat angles C4'-P-C4' energy: -193.674 flat angles P-C4'-P energy: -140.548 tors. eta vs tors. theta energy: -270.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2732.929810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.929810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.929810 (E_RNA) where: Base-Base interactions energy: -1855.964 where: short stacking energy: -843.824 Base-Backbone interact. energy: -1.777 local terms energy: -875.188961 where: bonds (distance) C4'-P energy: -146.891 bonds (distance) P-C4' energy: -165.319 flat angles C4'-P-C4' energy: -200.034 flat angles P-C4'-P energy: -128.090 tors. eta vs tors. theta energy: -234.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2594.382001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.382001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.382001 (E_RNA) where: Base-Base interactions energy: -1774.322 where: short stacking energy: -774.323 Base-Backbone interact. energy: 0.917 local terms energy: -820.977038 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -149.287 flat angles C4'-P-C4' energy: -197.177 flat angles P-C4'-P energy: -120.851 tors. eta vs tors. theta energy: -214.915 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: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2399.246381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.246381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.246381 (E_RNA) where: Base-Base interactions energy: -1589.776 where: short stacking energy: -723.692 Base-Backbone interact. energy: -2.104 local terms energy: -807.365823 where: bonds (distance) C4'-P energy: -150.850 bonds (distance) P-C4' energy: -168.855 flat angles C4'-P-C4' energy: -169.169 flat angles P-C4'-P energy: -115.589 tors. eta vs tors. theta energy: -202.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2076.315289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.315289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.315289 (E_RNA) where: Base-Base interactions energy: -1307.984 where: short stacking energy: -618.121 Base-Backbone interact. energy: -1.358 local terms energy: -766.972981 where: bonds (distance) C4'-P energy: -166.957 bonds (distance) P-C4' energy: -150.580 flat angles C4'-P-C4' energy: -166.692 flat angles P-C4'-P energy: -117.574 tors. eta vs tors. theta energy: -165.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1485.335636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.335636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.335636 (E_RNA) where: Base-Base interactions energy: -868.301 where: short stacking energy: -455.595 Base-Backbone interact. energy: 1.151 local terms energy: -618.186272 where: bonds (distance) C4'-P energy: -150.488 bonds (distance) P-C4' energy: -165.387 flat angles C4'-P-C4' energy: -152.292 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -73.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1369.289717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.289717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.289717 (E_RNA) where: Base-Base interactions energy: -818.841 where: short stacking energy: -414.605 Base-Backbone interact. energy: -2.781 local terms energy: -547.667199 where: bonds (distance) C4'-P energy: -116.124 bonds (distance) P-C4' energy: -149.547 flat angles C4'-P-C4' energy: -148.715 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -68.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -725.195643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.195643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.195643 (E_RNA) where: Base-Base interactions energy: -269.966 where: short stacking energy: -227.653 Base-Backbone interact. energy: 1.835 local terms energy: -457.064680 where: bonds (distance) C4'-P energy: -126.218 bonds (distance) P-C4' energy: -164.228 flat angles C4'-P-C4' energy: -110.391 flat angles P-C4'-P energy: -69.691 tors. eta vs tors. theta energy: 13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3124.072893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.072893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.072893 (E_RNA) where: Base-Base interactions energy: -2138.277 where: short stacking energy: -911.468 Base-Backbone interact. energy: -7.736 local terms energy: -978.060173 where: bonds (distance) C4'-P energy: -179.841 bonds (distance) P-C4' energy: -197.464 flat angles C4'-P-C4' energy: -191.888 flat angles P-C4'-P energy: -133.442 tors. eta vs tors. theta energy: -275.425 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: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2928.958229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.958229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.958229 (E_RNA) where: Base-Base interactions energy: -1953.829 where: short stacking energy: -909.355 Base-Backbone interact. energy: -2.308 local terms energy: -972.821509 where: bonds (distance) C4'-P energy: -179.141 bonds (distance) P-C4' energy: -187.792 flat angles C4'-P-C4' energy: -203.551 flat angles P-C4'-P energy: -139.007 tors. eta vs tors. theta energy: -263.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2940.718694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.718694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.718694 (E_RNA) where: Base-Base interactions energy: -1988.953 where: short stacking energy: -918.466 Base-Backbone interact. energy: -3.492 local terms energy: -948.273897 where: bonds (distance) C4'-P energy: -173.440 bonds (distance) P-C4' energy: -154.823 flat angles C4'-P-C4' energy: -200.285 flat angles P-C4'-P energy: -133.835 tors. eta vs tors. theta energy: -285.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2745.904542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.904542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.904542 (E_RNA) where: Base-Base interactions energy: -1824.328 where: short stacking energy: -809.407 Base-Backbone interact. energy: -4.430 local terms energy: -917.146358 where: bonds (distance) C4'-P energy: -170.887 bonds (distance) P-C4' energy: -175.089 flat angles C4'-P-C4' energy: -203.339 flat angles P-C4'-P energy: -113.562 tors. eta vs tors. theta energy: -254.269 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: 5, replica: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2626.305742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.305742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.305742 (E_RNA) where: Base-Base interactions energy: -1796.136 where: short stacking energy: -805.588 Base-Backbone interact. energy: -0.623 local terms energy: -829.546354 where: bonds (distance) C4'-P energy: -148.784 bonds (distance) P-C4' energy: -146.203 flat angles C4'-P-C4' energy: -189.655 flat angles P-C4'-P energy: -116.486 tors. eta vs tors. theta energy: -228.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2355.695806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.695806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.695806 (E_RNA) where: Base-Base interactions energy: -1527.637 where: short stacking energy: -734.963 Base-Backbone interact. energy: 2.955 local terms energy: -831.013745 where: bonds (distance) C4'-P energy: -164.144 bonds (distance) P-C4' energy: -150.522 flat angles C4'-P-C4' energy: -192.335 flat angles P-C4'-P energy: -119.758 tors. eta vs tors. theta energy: -204.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2116.386034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.386034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.386034 (E_RNA) where: Base-Base interactions energy: -1363.243 where: short stacking energy: -626.078 Base-Backbone interact. energy: 1.446 local terms energy: -754.589207 where: bonds (distance) C4'-P energy: -164.285 bonds (distance) P-C4' energy: -141.648 flat angles C4'-P-C4' energy: -165.177 flat angles P-C4'-P energy: -127.351 tors. eta vs tors. theta energy: -156.128 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: 395 Temperature: 1.250000 Total energy: -1490.937824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.937824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.937824 (E_RNA) where: Base-Base interactions energy: -864.156 where: short stacking energy: -424.961 Base-Backbone interact. energy: 3.520 local terms energy: -630.301604 where: bonds (distance) C4'-P energy: -144.259 bonds (distance) P-C4' energy: -153.356 flat angles C4'-P-C4' energy: -143.130 flat angles P-C4'-P energy: -114.242 tors. eta vs tors. theta energy: -75.314 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: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1273.292135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.292135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.292135 (E_RNA) where: Base-Base interactions energy: -734.176 where: short stacking energy: -383.780 Base-Backbone interact. energy: -0.181 local terms energy: -538.934920 where: bonds (distance) C4'-P energy: -147.931 bonds (distance) P-C4' energy: -131.311 flat angles C4'-P-C4' energy: -131.193 flat angles P-C4'-P energy: -90.975 tors. eta vs tors. theta energy: -37.526 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: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -682.506310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.506310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.506310 (E_RNA) where: Base-Base interactions energy: -207.569 where: short stacking energy: -179.308 Base-Backbone interact. energy: -0.740 local terms energy: -474.197803 where: bonds (distance) C4'-P energy: -156.318 bonds (distance) P-C4' energy: -141.747 flat angles C4'-P-C4' energy: -119.488 flat angles P-C4'-P energy: -100.509 tors. eta vs tors. theta energy: 43.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3144.742069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.742069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.742069 (E_RNA) where: Base-Base interactions energy: -2153.812 where: short stacking energy: -953.095 Base-Backbone interact. energy: -0.014 local terms energy: -990.916482 where: bonds (distance) C4'-P energy: -180.827 bonds (distance) P-C4' energy: -181.650 flat angles C4'-P-C4' energy: -214.347 flat angles P-C4'-P energy: -133.206 tors. eta vs tors. theta energy: -280.886 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: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2978.794542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.794542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.794542 (E_RNA) where: Base-Base interactions energy: -1990.279 where: short stacking energy: -906.967 Base-Backbone interact. energy: -1.638 local terms energy: -986.876907 where: bonds (distance) C4'-P energy: -190.103 bonds (distance) P-C4' energy: -173.811 flat angles C4'-P-C4' energy: -212.689 flat angles P-C4'-P energy: -151.214 tors. eta vs tors. theta energy: -259.060 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: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2913.109136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.109136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.109136 (E_RNA) where: Base-Base interactions energy: -1958.333 where: short stacking energy: -892.212 Base-Backbone interact. energy: -0.637 local terms energy: -954.138954 where: bonds (distance) C4'-P energy: -170.649 bonds (distance) P-C4' energy: -171.606 flat angles C4'-P-C4' energy: -194.444 flat angles P-C4'-P energy: -140.812 tors. eta vs tors. theta energy: -276.629 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: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2836.901325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.901325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.901325 (E_RNA) where: Base-Base interactions energy: -1939.698 where: short stacking energy: -847.312 Base-Backbone interact. energy: -4.423 local terms energy: -892.779844 where: bonds (distance) C4'-P energy: -162.811 bonds (distance) P-C4' energy: -159.281 flat angles C4'-P-C4' energy: -200.614 flat angles P-C4'-P energy: -119.816 tors. eta vs tors. theta energy: -250.258 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: 3 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2648.043253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.043253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.043253 (E_RNA) where: Base-Base interactions energy: -1766.712 where: short stacking energy: -804.098 Base-Backbone interact. energy: 2.378 local terms energy: -883.709067 where: bonds (distance) C4'-P energy: -160.702 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -204.065 flat angles P-C4'-P energy: -120.288 tors. eta vs tors. theta energy: -225.635 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: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2274.086617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.086617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.086617 (E_RNA) where: Base-Base interactions energy: -1482.633 where: short stacking energy: -678.838 Base-Backbone interact. energy: -2.414 local terms energy: -789.039419 where: bonds (distance) C4'-P energy: -162.457 bonds (distance) P-C4' energy: -163.371 flat angles C4'-P-C4' energy: -174.735 flat angles P-C4'-P energy: -111.831 tors. eta vs tors. theta energy: -176.645 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: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2037.346719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.346719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.346719 (E_RNA) where: Base-Base interactions energy: -1285.515 where: short stacking energy: -635.689 Base-Backbone interact. energy: -3.840 local terms energy: -747.992074 where: bonds (distance) C4'-P energy: -148.281 bonds (distance) P-C4' energy: -155.798 flat angles C4'-P-C4' energy: -176.556 flat angles P-C4'-P energy: -116.390 tors. eta vs tors. theta energy: -150.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1535.107374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.107374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.107374 (E_RNA) where: Base-Base interactions energy: -916.780 where: short stacking energy: -481.628 Base-Backbone interact. energy: 0.902 local terms energy: -619.229414 where: bonds (distance) C4'-P energy: -139.239 bonds (distance) P-C4' energy: -167.961 flat angles C4'-P-C4' energy: -144.197 flat angles P-C4'-P energy: -83.721 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: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1288.121351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.121351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.121351 (E_RNA) where: Base-Base interactions energy: -770.433 where: short stacking energy: -378.209 Base-Backbone interact. energy: 4.075 local terms energy: -521.763152 where: bonds (distance) C4'-P energy: -124.178 bonds (distance) P-C4' energy: -138.675 flat angles C4'-P-C4' energy: -144.258 flat angles P-C4'-P energy: -85.337 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: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -682.279127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.279127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.279127 (E_RNA) where: Base-Base interactions energy: -198.410 where: short stacking energy: -186.525 Base-Backbone interact. energy: -0.643 local terms energy: -483.225713 where: bonds (distance) C4'-P energy: -139.350 bonds (distance) P-C4' energy: -152.585 flat angles C4'-P-C4' energy: -130.888 flat angles P-C4'-P energy: -90.145 tors. eta vs tors. theta energy: 29.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3132.807905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.807905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.807905 (E_RNA) where: Base-Base interactions energy: -2134.949 where: short stacking energy: -940.180 Base-Backbone interact. energy: -5.180 local terms energy: -992.679269 where: bonds (distance) C4'-P energy: -181.329 bonds (distance) P-C4' energy: -192.124 flat angles C4'-P-C4' energy: -209.279 flat angles P-C4'-P energy: -140.165 tors. eta vs tors. theta energy: -269.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2971.605269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.605269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.605269 (E_RNA) where: Base-Base interactions energy: -2030.460 where: short stacking energy: -904.270 Base-Backbone interact. energy: -4.282 local terms energy: -936.863641 where: bonds (distance) C4'-P energy: -176.511 bonds (distance) P-C4' energy: -170.880 flat angles C4'-P-C4' energy: -199.147 flat angles P-C4'-P energy: -126.824 tors. eta vs tors. theta energy: -263.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2935.215166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.215166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.215166 (E_RNA) where: Base-Base interactions energy: -1974.259 where: short stacking energy: -903.353 Base-Backbone interact. energy: -2.246 local terms energy: -958.710649 where: bonds (distance) C4'-P energy: -161.536 bonds (distance) P-C4' energy: -190.100 flat angles C4'-P-C4' energy: -199.387 flat angles P-C4'-P energy: -136.732 tors. eta vs tors. theta energy: -270.956 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: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2793.022788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.022788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.022788 (E_RNA) where: Base-Base interactions energy: -1919.982 where: short stacking energy: -857.622 Base-Backbone interact. energy: -3.460 local terms energy: -869.581305 where: bonds (distance) C4'-P energy: -141.181 bonds (distance) P-C4' energy: -169.055 flat angles C4'-P-C4' energy: -194.536 flat angles P-C4'-P energy: -115.722 tors. eta vs tors. theta energy: -249.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2554.878039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.878039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.878039 (E_RNA) where: Base-Base interactions energy: -1725.372 where: short stacking energy: -778.848 Base-Backbone interact. energy: -1.173 local terms energy: -828.332869 where: bonds (distance) C4'-P energy: -152.223 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -179.879 flat angles P-C4'-P energy: -143.656 tors. eta vs tors. theta energy: -219.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2359.903313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.903313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.903313 (E_RNA) where: Base-Base interactions energy: -1590.378 where: short stacking energy: -713.465 Base-Backbone interact. energy: -0.358 local terms energy: -769.166891 where: bonds (distance) C4'-P energy: -154.438 bonds (distance) P-C4' energy: -152.712 flat angles C4'-P-C4' energy: -169.621 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -194.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1977.198928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.198928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.198928 (E_RNA) where: Base-Base interactions energy: -1257.633 where: short stacking energy: -566.211 Base-Backbone interact. energy: -1.364 local terms energy: -718.201792 where: bonds (distance) C4'-P energy: -141.883 bonds (distance) P-C4' energy: -155.717 flat angles C4'-P-C4' energy: -174.068 flat angles P-C4'-P energy: -108.813 tors. eta vs tors. theta energy: -137.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1506.151979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.151979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.151979 (E_RNA) where: Base-Base interactions energy: -890.380 where: short stacking energy: -442.914 Base-Backbone interact. energy: 3.267 local terms energy: -619.039322 where: bonds (distance) C4'-P energy: -140.717 bonds (distance) P-C4' energy: -153.566 flat angles C4'-P-C4' energy: -156.833 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -84.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1242.874604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.874604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.874604 (E_RNA) where: Base-Base interactions energy: -752.771 where: short stacking energy: -361.518 Base-Backbone interact. energy: 7.832 local terms energy: -497.935203 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -156.291 flat angles C4'-P-C4' energy: -137.207 flat angles P-C4'-P energy: -69.745 tors. eta vs tors. theta energy: -25.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -691.383367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.383367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.383367 (E_RNA) where: Base-Base interactions energy: -261.796 where: short stacking energy: -208.341 Base-Backbone interact. energy: -3.157 local terms energy: -426.430791 where: bonds (distance) C4'-P energy: -138.445 bonds (distance) P-C4' energy: -140.310 flat angles C4'-P-C4' energy: -116.212 flat angles P-C4'-P energy: -80.595 tors. eta vs tors. theta energy: 49.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3162.917084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.917084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.917084 (E_RNA) where: Base-Base interactions energy: -2167.546 where: short stacking energy: -963.579 Base-Backbone interact. energy: -5.956 local terms energy: -989.415071 where: bonds (distance) C4'-P energy: -189.145 bonds (distance) P-C4' energy: -175.486 flat angles C4'-P-C4' energy: -212.195 flat angles P-C4'-P energy: -139.362 tors. eta vs tors. theta energy: -273.228 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: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2976.270291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.270291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.270291 (E_RNA) where: Base-Base interactions energy: -2011.512 where: short stacking energy: -901.535 Base-Backbone interact. energy: 1.888 local terms energy: -966.646849 where: bonds (distance) C4'-P energy: -176.529 bonds (distance) P-C4' energy: -189.763 flat angles C4'-P-C4' energy: -202.539 flat angles P-C4'-P energy: -138.518 tors. eta vs tors. theta energy: -259.298 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: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2911.406786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.406786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.406786 (E_RNA) where: Base-Base interactions energy: -1946.828 where: short stacking energy: -916.173 Base-Backbone interact. energy: -2.961 local terms energy: -961.618154 where: bonds (distance) C4'-P energy: -157.257 bonds (distance) P-C4' energy: -181.619 flat angles C4'-P-C4' energy: -198.074 flat angles P-C4'-P energy: -141.236 tors. eta vs tors. theta energy: -283.432 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: 398 Temperature: 1.050000 Total energy: -2792.827402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.827402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.827402 (E_RNA) where: Base-Base interactions energy: -1915.430 where: short stacking energy: -850.290 Base-Backbone interact. energy: -5.155 local terms energy: -872.242097 where: bonds (distance) C4'-P energy: -149.686 bonds (distance) P-C4' energy: -171.667 flat angles C4'-P-C4' energy: -186.676 flat angles P-C4'-P energy: -131.446 tors. eta vs tors. theta energy: -232.768 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: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2587.328891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.328891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.328891 (E_RNA) where: Base-Base interactions energy: -1729.338 where: short stacking energy: -759.921 Base-Backbone interact. energy: -3.566 local terms energy: -854.425578 where: bonds (distance) C4'-P energy: -155.422 bonds (distance) P-C4' energy: -167.377 flat angles C4'-P-C4' energy: -193.585 flat angles P-C4'-P energy: -126.477 tors. eta vs tors. theta energy: -211.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2400.499153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.499153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.499153 (E_RNA) where: Base-Base interactions energy: -1589.121 where: short stacking energy: -762.487 Base-Backbone interact. energy: -0.852 local terms energy: -810.526042 where: bonds (distance) C4'-P energy: -155.883 bonds (distance) P-C4' energy: -163.496 flat angles C4'-P-C4' energy: -191.230 flat angles P-C4'-P energy: -99.693 tors. eta vs tors. theta energy: -200.224 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: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1939.689510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.689510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.689510 (E_RNA) where: Base-Base interactions energy: -1209.163 where: short stacking energy: -587.842 Base-Backbone interact. energy: 4.313 local terms energy: -734.839096 where: bonds (distance) C4'-P energy: -158.809 bonds (distance) P-C4' energy: -168.298 flat angles C4'-P-C4' energy: -172.515 flat angles P-C4'-P energy: -105.094 tors. eta vs tors. theta energy: -130.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1475.876143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.876143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.876143 (E_RNA) where: Base-Base interactions energy: -884.912 where: short stacking energy: -447.147 Base-Backbone interact. energy: -0.228 local terms energy: -590.735191 where: bonds (distance) C4'-P energy: -131.920 bonds (distance) P-C4' energy: -122.735 flat angles C4'-P-C4' energy: -157.652 flat angles P-C4'-P energy: -104.757 tors. eta vs tors. theta energy: -73.670 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: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1288.091314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.091314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.091314 (E_RNA) where: Base-Base interactions energy: -698.961 where: short stacking energy: -329.560 Base-Backbone interact. energy: 2.088 local terms energy: -591.218457 where: bonds (distance) C4'-P energy: -162.245 bonds (distance) P-C4' energy: -154.823 flat angles C4'-P-C4' energy: -142.999 flat angles P-C4'-P energy: -88.019 tors. eta vs tors. theta energy: -43.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -662.548982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.548982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.548982 (E_RNA) where: Base-Base interactions energy: -234.840 where: short stacking energy: -209.854 Base-Backbone interact. energy: -2.077 local terms energy: -425.631310 where: bonds (distance) C4'-P energy: -146.993 bonds (distance) P-C4' energy: -140.360 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -74.969 tors. eta vs tors. theta energy: 41.391 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: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3170.373171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.373171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.373171 (E_RNA) where: Base-Base interactions energy: -2148.203 where: short stacking energy: -958.897 Base-Backbone interact. energy: -2.773 local terms energy: -1019.397725 where: bonds (distance) C4'-P energy: -187.153 bonds (distance) P-C4' energy: -193.243 flat angles C4'-P-C4' energy: -208.921 flat angles P-C4'-P energy: -148.918 tors. eta vs tors. theta energy: -281.162 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: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2942.154125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.154125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.154125 (E_RNA) where: Base-Base interactions energy: -1974.378 where: short stacking energy: -866.504 Base-Backbone interact. energy: -1.751 local terms energy: -966.025631 where: bonds (distance) C4'-P energy: -173.286 bonds (distance) P-C4' energy: -189.075 flat angles C4'-P-C4' energy: -210.369 flat angles P-C4'-P energy: -148.792 tors. eta vs tors. theta energy: -244.503 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: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2960.360792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.360792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.360792 (E_RNA) where: Base-Base interactions energy: -2010.318 where: short stacking energy: -930.043 Base-Backbone interact. energy: -1.602 local terms energy: -948.440982 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -178.001 flat angles C4'-P-C4' energy: -199.944 flat angles P-C4'-P energy: -132.345 tors. eta vs tors. theta energy: -281.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2835.006471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.006471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.006471 (E_RNA) where: Base-Base interactions energy: -1936.139 where: short stacking energy: -879.241 Base-Backbone interact. energy: -1.037 local terms energy: -897.830277 where: bonds (distance) C4'-P energy: -163.793 bonds (distance) P-C4' energy: -155.043 flat angles C4'-P-C4' energy: -194.843 flat angles P-C4'-P energy: -131.903 tors. eta vs tors. theta energy: -252.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2626.830714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.830714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.830714 (E_RNA) where: Base-Base interactions energy: -1762.118 where: short stacking energy: -802.195 Base-Backbone interact. energy: -0.889 local terms energy: -863.824596 where: bonds (distance) C4'-P energy: -167.091 bonds (distance) P-C4' energy: -175.182 flat angles C4'-P-C4' energy: -204.446 flat angles P-C4'-P energy: -105.799 tors. eta vs tors. theta energy: -211.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2352.875769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.875769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.875769 (E_RNA) where: Base-Base interactions energy: -1580.447 where: short stacking energy: -703.847 Base-Backbone interact. energy: 1.709 local terms energy: -774.138472 where: bonds (distance) C4'-P energy: -144.931 bonds (distance) P-C4' energy: -177.578 flat angles C4'-P-C4' energy: -160.526 flat angles P-C4'-P energy: -113.377 tors. eta vs tors. theta energy: -177.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1969.018764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.018764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.018764 (E_RNA) where: Base-Base interactions energy: -1233.173 where: short stacking energy: -573.203 Base-Backbone interact. energy: 0.348 local terms energy: -736.193459 where: bonds (distance) C4'-P energy: -148.975 bonds (distance) P-C4' energy: -157.660 flat angles C4'-P-C4' energy: -169.104 flat angles P-C4'-P energy: -123.591 tors. eta vs tors. theta energy: -136.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1487.555489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.555489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.555489 (E_RNA) where: Base-Base interactions energy: -845.960 where: short stacking energy: -449.172 Base-Backbone interact. energy: -3.217 local terms energy: -638.378989 where: bonds (distance) C4'-P energy: -156.136 bonds (distance) P-C4' energy: -150.791 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -102.647 tors. eta vs tors. theta energy: -77.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1376.826101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.826101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.826101 (E_RNA) where: Base-Base interactions energy: -816.413 where: short stacking energy: -413.935 Base-Backbone interact. energy: 5.031 local terms energy: -565.444754 where: bonds (distance) C4'-P energy: -141.406 bonds (distance) P-C4' energy: -168.214 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -76.321 tors. eta vs tors. theta energy: -39.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -650.840404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.840404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.840404 (E_RNA) where: Base-Base interactions energy: -215.981 where: short stacking energy: -172.851 Base-Backbone interact. energy: 3.705 local terms energy: -438.564319 where: bonds (distance) C4'-P energy: -122.903 bonds (distance) P-C4' energy: -144.850 flat angles C4'-P-C4' energy: -131.503 flat angles P-C4'-P energy: -88.813 tors. eta vs tors. theta energy: 49.506 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: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3180.228733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.228733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.228733 (E_RNA) where: Base-Base interactions energy: -2153.794 where: short stacking energy: -972.485 Base-Backbone interact. energy: -5.521 local terms energy: -1020.913605 where: bonds (distance) C4'-P energy: -193.562 bonds (distance) P-C4' energy: -184.419 flat angles C4'-P-C4' energy: -219.778 flat angles P-C4'-P energy: -146.794 tors. eta vs tors. theta energy: -276.361 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: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2946.127937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.127937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.127937 (E_RNA) where: Base-Base interactions energy: -1967.926 where: short stacking energy: -896.477 Base-Backbone interact. energy: -4.312 local terms energy: -973.889426 where: bonds (distance) C4'-P energy: -170.483 bonds (distance) P-C4' energy: -174.856 flat angles C4'-P-C4' energy: -205.884 flat angles P-C4'-P energy: -157.467 tors. eta vs tors. theta energy: -265.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2958.770512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.770512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.770512 (E_RNA) where: Base-Base interactions energy: -2009.871 where: short stacking energy: -918.550 Base-Backbone interact. energy: -1.141 local terms energy: -947.758178 where: bonds (distance) C4'-P energy: -165.702 bonds (distance) P-C4' energy: -190.171 flat angles C4'-P-C4' energy: -193.123 flat angles P-C4'-P energy: -134.937 tors. eta vs tors. theta energy: -263.825 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: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2665.039138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.039138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.039138 (E_RNA) where: Base-Base interactions energy: -1821.586 where: short stacking energy: -802.061 Base-Backbone interact. energy: -4.087 local terms energy: -839.366135 where: bonds (distance) C4'-P energy: -168.430 bonds (distance) P-C4' energy: -152.013 flat angles C4'-P-C4' energy: -198.475 flat angles P-C4'-P energy: -99.944 tors. eta vs tors. theta energy: -220.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2570.868816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.868816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.868816 (E_RNA) where: Base-Base interactions energy: -1717.873 where: short stacking energy: -762.400 Base-Backbone interact. energy: -3.677 local terms energy: -849.318983 where: bonds (distance) C4'-P energy: -162.765 bonds (distance) P-C4' energy: -164.485 flat angles C4'-P-C4' energy: -190.490 flat angles P-C4'-P energy: -124.430 tors. eta vs tors. theta energy: -207.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2373.802914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.802914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.802914 (E_RNA) where: Base-Base interactions energy: -1562.833 where: short stacking energy: -704.649 Base-Backbone interact. energy: 6.463 local terms energy: -817.433446 where: bonds (distance) C4'-P energy: -175.882 bonds (distance) P-C4' energy: -161.838 flat angles C4'-P-C4' energy: -183.043 flat angles P-C4'-P energy: -117.015 tors. eta vs tors. theta energy: -179.655 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1952.928506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.928506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.928506 (E_RNA) where: Base-Base interactions energy: -1242.733 where: short stacking energy: -565.635 Base-Backbone interact. energy: 1.296 local terms energy: -711.491948 where: bonds (distance) C4'-P energy: -141.468 bonds (distance) P-C4' energy: -151.179 flat angles C4'-P-C4' energy: -161.909 flat angles P-C4'-P energy: -109.505 tors. eta vs tors. theta energy: -147.430 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: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1544.692078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.692078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.692078 (E_RNA) where: Base-Base interactions energy: -919.241 where: short stacking energy: -477.128 Base-Backbone interact. energy: 4.402 local terms energy: -629.853359 where: bonds (distance) C4'-P energy: -114.262 bonds (distance) P-C4' energy: -149.027 flat angles C4'-P-C4' energy: -158.797 flat angles P-C4'-P energy: -95.716 tors. eta vs tors. theta energy: -112.052 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: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1339.503124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.503124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.503124 (E_RNA) where: Base-Base interactions energy: -815.740 where: short stacking energy: -385.298 Base-Backbone interact. energy: -0.963 local terms energy: -522.800282 where: bonds (distance) C4'-P energy: -122.108 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -145.946 flat angles P-C4'-P energy: -76.018 tors. eta vs tors. theta energy: -38.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -726.857368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.857368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.857368 (E_RNA) where: Base-Base interactions energy: -267.339 where: short stacking energy: -224.165 Base-Backbone interact. energy: -2.690 local terms energy: -456.828780 where: bonds (distance) C4'-P energy: -128.926 bonds (distance) P-C4' energy: -142.607 flat angles C4'-P-C4' energy: -125.803 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: 25.446 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: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3135.170543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.170543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.170543 (E_RNA) where: Base-Base interactions energy: -2127.284 where: short stacking energy: -950.504 Base-Backbone interact. energy: -0.724 local terms energy: -1007.162257 where: bonds (distance) C4'-P energy: -194.126 bonds (distance) P-C4' energy: -190.637 flat angles C4'-P-C4' energy: -207.677 flat angles P-C4'-P energy: -142.951 tors. eta vs tors. theta energy: -271.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2976.731140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.731140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.731140 (E_RNA) where: Base-Base interactions energy: -1993.479 where: short stacking energy: -935.237 Base-Backbone interact. energy: -6.445 local terms energy: -976.807188 where: bonds (distance) C4'-P energy: -182.885 bonds (distance) P-C4' energy: -180.402 flat angles C4'-P-C4' energy: -204.425 flat angles P-C4'-P energy: -136.044 tors. eta vs tors. theta energy: -273.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2941.734214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.734214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.734214 (E_RNA) where: Base-Base interactions energy: -1975.783 where: short stacking energy: -923.522 Base-Backbone interact. energy: -2.207 local terms energy: -963.744474 where: bonds (distance) C4'-P energy: -163.885 bonds (distance) P-C4' energy: -190.695 flat angles C4'-P-C4' energy: -201.482 flat angles P-C4'-P energy: -140.199 tors. eta vs tors. theta energy: -267.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2686.499916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.499916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.499916 (E_RNA) where: Base-Base interactions energy: -1807.046 where: short stacking energy: -785.267 Base-Backbone interact. energy: -8.737 local terms energy: -870.717128 where: bonds (distance) C4'-P energy: -179.869 bonds (distance) P-C4' energy: -150.656 flat angles C4'-P-C4' energy: -188.717 flat angles P-C4'-P energy: -115.087 tors. eta vs tors. theta energy: -236.388 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: 3 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2600.423772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.423772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.423772 (E_RNA) where: Base-Base interactions energy: -1751.852 where: short stacking energy: -781.089 Base-Backbone interact. energy: -3.715 local terms energy: -844.857108 where: bonds (distance) C4'-P energy: -145.047 bonds (distance) P-C4' energy: -171.349 flat angles C4'-P-C4' energy: -189.813 flat angles P-C4'-P energy: -127.551 tors. eta vs tors. theta energy: -211.096 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: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2309.319823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.319823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.319823 (E_RNA) where: Base-Base interactions energy: -1512.064 where: short stacking energy: -696.408 Base-Backbone interact. energy: 9.571 local terms energy: -806.827096 where: bonds (distance) C4'-P energy: -172.766 bonds (distance) P-C4' energy: -158.976 flat angles C4'-P-C4' energy: -161.769 flat angles P-C4'-P energy: -120.052 tors. eta vs tors. theta energy: -193.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1950.994179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.994179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.994179 (E_RNA) where: Base-Base interactions energy: -1273.557 where: short stacking energy: -598.164 Base-Backbone interact. energy: 9.038 local terms energy: -686.474695 where: bonds (distance) C4'-P energy: -137.997 bonds (distance) P-C4' energy: -145.740 flat angles C4'-P-C4' energy: -146.094 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -148.056 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: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1558.391630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.391630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.391630 (E_RNA) where: Base-Base interactions energy: -959.195 where: short stacking energy: -474.607 Base-Backbone interact. energy: -2.222 local terms energy: -596.975501 where: bonds (distance) C4'-P energy: -141.529 bonds (distance) P-C4' energy: -138.224 flat angles C4'-P-C4' energy: -145.688 flat angles P-C4'-P energy: -86.507 tors. eta vs tors. theta energy: -85.028 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: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1369.417223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.417223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.417223 (E_RNA) where: Base-Base interactions energy: -772.067 where: short stacking energy: -388.315 Base-Backbone interact. energy: 0.658 local terms energy: -598.008891 where: bonds (distance) C4'-P energy: -163.908 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -156.998 flat angles P-C4'-P energy: -88.913 tors. eta vs tors. theta energy: -41.273 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: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -670.972818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.972818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.972818 (E_RNA) where: Base-Base interactions energy: -257.733 where: short stacking energy: -216.313 Base-Backbone interact. energy: 3.296 local terms energy: -416.535439 where: bonds (distance) C4'-P energy: -120.745 bonds (distance) P-C4' energy: -152.052 flat angles C4'-P-C4' energy: -120.126 flat angles P-C4'-P energy: -54.557 tors. eta vs tors. theta energy: 30.944 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: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3151.118908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.118908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.118908 (E_RNA) where: Base-Base interactions energy: -2141.188 where: short stacking energy: -931.839 Base-Backbone interact. energy: -2.615 local terms energy: -1007.315652 where: bonds (distance) C4'-P energy: -196.660 bonds (distance) P-C4' energy: -180.753 flat angles C4'-P-C4' energy: -213.062 flat angles P-C4'-P energy: -139.931 tors. eta vs tors. theta energy: -276.908 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: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2953.758765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.758765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.758765 (E_RNA) where: Base-Base interactions energy: -1989.957 where: short stacking energy: -935.146 Base-Backbone interact. energy: -2.704 local terms energy: -961.097247 where: bonds (distance) C4'-P energy: -175.331 bonds (distance) P-C4' energy: -176.468 flat angles C4'-P-C4' energy: -192.385 flat angles P-C4'-P energy: -147.224 tors. eta vs tors. theta energy: -269.689 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: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2944.781272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.781272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.781272 (E_RNA) where: Base-Base interactions energy: -2005.065 where: short stacking energy: -901.046 Base-Backbone interact. energy: -1.044 local terms energy: -938.672383 where: bonds (distance) C4'-P energy: -164.733 bonds (distance) P-C4' energy: -179.627 flat angles C4'-P-C4' energy: -198.201 flat angles P-C4'-P energy: -127.324 tors. eta vs tors. theta energy: -268.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2760.099500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.099500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.099500 (E_RNA) where: Base-Base interactions energy: -1892.226 where: short stacking energy: -848.009 Base-Backbone interact. energy: -3.297 local terms energy: -864.575926 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -169.765 flat angles C4'-P-C4' energy: -190.106 flat angles P-C4'-P energy: -118.384 tors. eta vs tors. theta energy: -238.065 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: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2566.370856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.370856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.370856 (E_RNA) where: Base-Base interactions energy: -1731.820 where: short stacking energy: -786.286 Base-Backbone interact. energy: 2.475 local terms energy: -837.025079 where: bonds (distance) C4'-P energy: -174.413 bonds (distance) P-C4' energy: -165.333 flat angles C4'-P-C4' energy: -170.100 flat angles P-C4'-P energy: -124.005 tors. eta vs tors. theta energy: -203.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2296.841451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.841451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.841451 (E_RNA) where: Base-Base interactions energy: -1518.483 where: short stacking energy: -711.138 Base-Backbone interact. energy: 8.507 local terms energy: -786.865122 where: bonds (distance) C4'-P energy: -154.114 bonds (distance) P-C4' energy: -152.752 flat angles C4'-P-C4' energy: -177.360 flat angles P-C4'-P energy: -102.093 tors. eta vs tors. theta energy: -200.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1919.738474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.738474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.738474 (E_RNA) where: Base-Base interactions energy: -1213.943 where: short stacking energy: -556.789 Base-Backbone interact. energy: -0.146 local terms energy: -705.649111 where: bonds (distance) C4'-P energy: -152.647 bonds (distance) P-C4' energy: -145.568 flat angles C4'-P-C4' energy: -161.068 flat angles P-C4'-P energy: -119.537 tors. eta vs tors. theta energy: -126.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1543.419295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.419295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.419295 (E_RNA) where: Base-Base interactions energy: -905.096 where: short stacking energy: -452.126 Base-Backbone interact. energy: -3.652 local terms energy: -634.671157 where: bonds (distance) C4'-P energy: -155.510 bonds (distance) P-C4' energy: -153.056 flat angles C4'-P-C4' energy: -145.913 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -89.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1359.751010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.751010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.751010 (E_RNA) where: Base-Base interactions energy: -840.134 where: short stacking energy: -399.445 Base-Backbone interact. energy: 5.998 local terms energy: -525.614303 where: bonds (distance) C4'-P energy: -133.743 bonds (distance) P-C4' energy: -137.971 flat angles C4'-P-C4' energy: -141.147 flat angles P-C4'-P energy: -76.166 tors. eta vs tors. theta energy: -36.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -669.547479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.547479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.547479 (E_RNA) where: Base-Base interactions energy: -232.988 where: short stacking energy: -218.331 Base-Backbone interact. energy: 8.021 local terms energy: -444.580506 where: bonds (distance) C4'-P energy: -141.545 bonds (distance) P-C4' energy: -153.531 flat angles C4'-P-C4' energy: -129.457 flat angles P-C4'-P energy: -54.814 tors. eta vs tors. theta energy: 34.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3171.291199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.291199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.291199 (E_RNA) where: Base-Base interactions energy: -2172.074 where: short stacking energy: -956.120 Base-Backbone interact. energy: -5.106 local terms energy: -994.110584 where: bonds (distance) C4'-P energy: -167.708 bonds (distance) P-C4' energy: -199.785 flat angles C4'-P-C4' energy: -208.371 flat angles P-C4'-P energy: -149.144 tors. eta vs tors. theta energy: -269.102 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: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3003.289648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.289648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.289648 (E_RNA) where: Base-Base interactions energy: -2052.431 where: short stacking energy: -957.005 Base-Backbone interact. energy: -3.495 local terms energy: -947.364106 where: bonds (distance) C4'-P energy: -168.521 bonds (distance) P-C4' energy: -166.310 flat angles C4'-P-C4' energy: -210.686 flat angles P-C4'-P energy: -134.757 tors. eta vs tors. theta energy: -267.090 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: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2886.706772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.706772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.706772 (E_RNA) where: Base-Base interactions energy: -1967.430 where: short stacking energy: -915.046 Base-Backbone interact. energy: -3.938 local terms energy: -915.338908 where: bonds (distance) C4'-P energy: -155.925 bonds (distance) P-C4' energy: -163.769 flat angles C4'-P-C4' energy: -200.431 flat angles P-C4'-P energy: -135.457 tors. eta vs tors. theta energy: -259.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2765.862704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.862704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.862704 (E_RNA) where: Base-Base interactions energy: -1891.968 where: short stacking energy: -862.737 Base-Backbone interact. energy: 1.181 local terms energy: -875.076052 where: bonds (distance) C4'-P energy: -168.143 bonds (distance) P-C4' energy: -155.981 flat angles C4'-P-C4' energy: -186.307 flat angles P-C4'-P energy: -108.933 tors. eta vs tors. theta energy: -255.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2586.395737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.395737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.395737 (E_RNA) where: Base-Base interactions energy: -1745.649 where: short stacking energy: -752.182 Base-Backbone interact. energy: 0.145 local terms energy: -840.891058 where: bonds (distance) C4'-P energy: -162.599 bonds (distance) P-C4' energy: -182.671 flat angles C4'-P-C4' energy: -161.902 flat angles P-C4'-P energy: -117.677 tors. eta vs tors. theta energy: -216.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2290.938921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.938921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.938921 (E_RNA) where: Base-Base interactions energy: -1510.141 where: short stacking energy: -701.859 Base-Backbone interact. energy: 4.519 local terms energy: -785.317072 where: bonds (distance) C4'-P energy: -151.260 bonds (distance) P-C4' energy: -153.332 flat angles C4'-P-C4' energy: -184.716 flat angles P-C4'-P energy: -100.461 tors. eta vs tors. theta energy: -195.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1990.022410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.022410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.022410 (E_RNA) where: Base-Base interactions energy: -1290.033 where: short stacking energy: -630.268 Base-Backbone interact. energy: -1.971 local terms energy: -698.018676 where: bonds (distance) C4'-P energy: -132.679 bonds (distance) P-C4' energy: -157.948 flat angles C4'-P-C4' energy: -156.720 flat angles P-C4'-P energy: -104.384 tors. eta vs tors. theta energy: -146.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1483.109263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.109263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.109263 (E_RNA) where: Base-Base interactions energy: -866.062 where: short stacking energy: -419.350 Base-Backbone interact. energy: 5.398 local terms energy: -622.445474 where: bonds (distance) C4'-P energy: -166.454 bonds (distance) P-C4' energy: -166.796 flat angles C4'-P-C4' energy: -160.321 flat angles P-C4'-P energy: -78.038 tors. eta vs tors. theta energy: -50.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1409.621671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.621671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.621671 (E_RNA) where: Base-Base interactions energy: -836.998 where: short stacking energy: -389.964 Base-Backbone interact. energy: 2.264 local terms energy: -574.888390 where: bonds (distance) C4'-P energy: -139.112 bonds (distance) P-C4' energy: -145.136 flat angles C4'-P-C4' energy: -148.316 flat angles P-C4'-P energy: -89.328 tors. eta vs tors. theta energy: -52.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -710.496477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.496477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.496477 (E_RNA) where: Base-Base interactions energy: -237.153 where: short stacking energy: -192.549 Base-Backbone interact. energy: -1.423 local terms energy: -471.920111 where: bonds (distance) C4'-P energy: -138.242 bonds (distance) P-C4' energy: -158.374 flat angles C4'-P-C4' energy: -131.004 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: 20.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3135.192271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.192271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.192271 (E_RNA) where: Base-Base interactions energy: -2142.707 where: short stacking energy: -933.227 Base-Backbone interact. energy: -8.839 local terms energy: -983.645726 where: bonds (distance) C4'-P energy: -166.068 bonds (distance) P-C4' energy: -189.377 flat angles C4'-P-C4' energy: -212.251 flat angles P-C4'-P energy: -144.940 tors. eta vs tors. theta energy: -271.010 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: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3012.967576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.967576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.967576 (E_RNA) where: Base-Base interactions energy: -2050.807 where: short stacking energy: -928.131 Base-Backbone interact. energy: -0.856 local terms energy: -961.304520 where: bonds (distance) C4'-P energy: -169.071 bonds (distance) P-C4' energy: -179.759 flat angles C4'-P-C4' energy: -206.842 flat angles P-C4'-P energy: -132.388 tors. eta vs tors. theta energy: -273.245 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: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2849.484437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.484437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.484437 (E_RNA) where: Base-Base interactions energy: -1906.553 where: short stacking energy: -866.077 Base-Backbone interact. energy: -2.285 local terms energy: -940.645850 where: bonds (distance) C4'-P energy: -174.068 bonds (distance) P-C4' energy: -190.168 flat angles C4'-P-C4' energy: -189.586 flat angles P-C4'-P energy: -134.724 tors. eta vs tors. theta energy: -252.099 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: 404 Temperature: 1.050000 Total energy: -2745.696607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.696607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.696607 (E_RNA) where: Base-Base interactions energy: -1860.872 where: short stacking energy: -816.524 Base-Backbone interact. energy: -3.059 local terms energy: -881.766181 where: bonds (distance) C4'-P energy: -162.647 bonds (distance) P-C4' energy: -164.208 flat angles C4'-P-C4' energy: -189.793 flat angles P-C4'-P energy: -114.976 tors. eta vs tors. theta energy: -250.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2585.849040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.849040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.849040 (E_RNA) where: Base-Base interactions energy: -1740.147 where: short stacking energy: -773.079 Base-Backbone interact. energy: 4.991 local terms energy: -850.692401 where: bonds (distance) C4'-P energy: -145.434 bonds (distance) P-C4' energy: -173.036 flat angles C4'-P-C4' energy: -181.153 flat angles P-C4'-P energy: -120.829 tors. eta vs tors. theta energy: -230.240 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: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2329.452843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.452843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.452843 (E_RNA) where: Base-Base interactions energy: -1518.108 where: short stacking energy: -697.100 Base-Backbone interact. energy: -2.239 local terms energy: -809.105878 where: bonds (distance) C4'-P energy: -158.623 bonds (distance) P-C4' energy: -163.207 flat angles C4'-P-C4' energy: -182.384 flat angles P-C4'-P energy: -102.894 tors. eta vs tors. theta energy: -201.998 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: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1852.343534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.343534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.343534 (E_RNA) where: Base-Base interactions energy: -1157.747 where: short stacking energy: -548.455 Base-Backbone interact. energy: -1.720 local terms energy: -692.876496 where: bonds (distance) C4'-P energy: -156.288 bonds (distance) P-C4' energy: -165.685 flat angles C4'-P-C4' energy: -146.812 flat angles P-C4'-P energy: -88.122 tors. eta vs tors. theta energy: -135.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1514.005556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.005556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.005556 (E_RNA) where: Base-Base interactions energy: -882.646 where: short stacking energy: -448.037 Base-Backbone interact. energy: 5.204 local terms energy: -636.563584 where: bonds (distance) C4'-P energy: -137.737 bonds (distance) P-C4' energy: -167.727 flat angles C4'-P-C4' energy: -165.777 flat angles P-C4'-P energy: -88.919 tors. eta vs tors. theta energy: -76.404 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1404.632134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.632134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.632134 (E_RNA) where: Base-Base interactions energy: -850.364 where: short stacking energy: -412.518 Base-Backbone interact. energy: -2.682 local terms energy: -551.586218 where: bonds (distance) C4'-P energy: -120.262 bonds (distance) P-C4' energy: -148.334 flat angles C4'-P-C4' energy: -147.808 flat angles P-C4'-P energy: -85.961 tors. eta vs tors. theta energy: -49.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -727.481959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.481959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.481959 (E_RNA) where: Base-Base interactions energy: -281.156 where: short stacking energy: -181.641 Base-Backbone interact. energy: -0.160 local terms energy: -446.166607 where: bonds (distance) C4'-P energy: -138.774 bonds (distance) P-C4' energy: -160.797 flat angles C4'-P-C4' energy: -108.735 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: 22.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3162.447575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.447575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.447575 (E_RNA) where: Base-Base interactions energy: -2166.078 where: short stacking energy: -956.326 Base-Backbone interact. energy: -4.065 local terms energy: -992.304637 where: bonds (distance) C4'-P energy: -182.079 bonds (distance) P-C4' energy: -176.211 flat angles C4'-P-C4' energy: -213.266 flat angles P-C4'-P energy: -153.437 tors. eta vs tors. theta energy: -267.311 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: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3037.797831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.797831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.797831 (E_RNA) where: Base-Base interactions energy: -2067.826 where: short stacking energy: -939.543 Base-Backbone interact. energy: -1.026 local terms energy: -968.944953 where: bonds (distance) C4'-P energy: -163.640 bonds (distance) P-C4' energy: -182.809 flat angles C4'-P-C4' energy: -210.529 flat angles P-C4'-P energy: -122.968 tors. eta vs tors. theta energy: -288.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2882.860484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.860484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.860484 (E_RNA) where: Base-Base interactions energy: -1932.921 where: short stacking energy: -867.924 Base-Backbone interact. energy: -3.629 local terms energy: -946.310707 where: bonds (distance) C4'-P energy: -159.506 bonds (distance) P-C4' energy: -198.400 flat angles C4'-P-C4' energy: -209.681 flat angles P-C4'-P energy: -127.121 tors. eta vs tors. theta energy: -251.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2735.974226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.974226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.974226 (E_RNA) where: Base-Base interactions energy: -1843.918 where: short stacking energy: -813.892 Base-Backbone interact. energy: -2.518 local terms energy: -889.538026 where: bonds (distance) C4'-P energy: -158.227 bonds (distance) P-C4' energy: -170.376 flat angles C4'-P-C4' energy: -200.791 flat angles P-C4'-P energy: -115.052 tors. eta vs tors. theta energy: -245.092 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: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2573.131819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.131819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.131819 (E_RNA) where: Base-Base interactions energy: -1743.794 where: short stacking energy: -800.573 Base-Backbone interact. energy: 0.164 local terms energy: -829.501476 where: bonds (distance) C4'-P energy: -151.595 bonds (distance) P-C4' energy: -158.661 flat angles C4'-P-C4' energy: -177.291 flat angles P-C4'-P energy: -126.571 tors. eta vs tors. theta energy: -215.383 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: 405 Temperature: 1.150000 Total energy: -2299.355492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.355492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.355492 (E_RNA) where: Base-Base interactions energy: -1513.706 where: short stacking energy: -676.355 Base-Backbone interact. energy: -0.062 local terms energy: -785.586788 where: bonds (distance) C4'-P energy: -142.881 bonds (distance) P-C4' energy: -182.464 flat angles C4'-P-C4' energy: -180.442 flat angles P-C4'-P energy: -99.196 tors. eta vs tors. theta energy: -180.604 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: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1895.120768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.120768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.120768 (E_RNA) where: Base-Base interactions energy: -1187.961 where: short stacking energy: -538.381 Base-Backbone interact. energy: -6.242 local terms energy: -700.917704 where: bonds (distance) C4'-P energy: -160.071 bonds (distance) P-C4' energy: -156.325 flat angles C4'-P-C4' energy: -162.908 flat angles P-C4'-P energy: -99.280 tors. eta vs tors. theta energy: -122.334 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: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1532.333809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.333809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.333809 (E_RNA) where: Base-Base interactions energy: -911.829 where: short stacking energy: -465.392 Base-Backbone interact. energy: -1.672 local terms energy: -618.833516 where: bonds (distance) C4'-P energy: -131.710 bonds (distance) P-C4' energy: -170.276 flat angles C4'-P-C4' energy: -161.904 flat angles P-C4'-P energy: -82.584 tors. eta vs tors. theta energy: -72.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1243.817798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.817798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.817798 (E_RNA) where: Base-Base interactions energy: -709.728 where: short stacking energy: -330.038 Base-Backbone interact. energy: 3.825 local terms energy: -537.914871 where: bonds (distance) C4'-P energy: -137.075 bonds (distance) P-C4' energy: -163.524 flat angles C4'-P-C4' energy: -141.530 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -24.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -658.634500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.634500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.634500 (E_RNA) where: Base-Base interactions energy: -214.878 where: short stacking energy: -180.721 Base-Backbone interact. energy: 7.018 local terms energy: -450.774652 where: bonds (distance) C4'-P energy: -152.269 bonds (distance) P-C4' energy: -154.202 flat angles C4'-P-C4' energy: -124.007 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: 60.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3151.177395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.177395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.177395 (E_RNA) where: Base-Base interactions energy: -2150.481 where: short stacking energy: -956.421 Base-Backbone interact. energy: -0.912 local terms energy: -999.784044 where: bonds (distance) C4'-P energy: -182.239 bonds (distance) P-C4' energy: -187.625 flat angles C4'-P-C4' energy: -212.154 flat angles P-C4'-P energy: -141.005 tors. eta vs tors. theta energy: -276.761 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: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3053.395634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.395634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.395634 (E_RNA) where: Base-Base interactions energy: -2043.157 where: short stacking energy: -957.565 Base-Backbone interact. energy: 1.484 local terms energy: -1011.722755 where: bonds (distance) C4'-P energy: -171.828 bonds (distance) P-C4' energy: -193.273 flat angles C4'-P-C4' energy: -209.674 flat angles P-C4'-P energy: -139.944 tors. eta vs tors. theta energy: -297.003 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: 406 Temperature: 1.000000 Total energy: -2820.842227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.842227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.842227 (E_RNA) where: Base-Base interactions energy: -1896.688 where: short stacking energy: -851.666 Base-Backbone interact. energy: 0.299 local terms energy: -924.453422 where: bonds (distance) C4'-P energy: -162.599 bonds (distance) P-C4' energy: -168.591 flat angles C4'-P-C4' energy: -202.705 flat angles P-C4'-P energy: -135.760 tors. eta vs tors. theta energy: -254.798 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: 406 Temperature: 1.050000 Total energy: -2720.618019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.618019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.618019 (E_RNA) where: Base-Base interactions energy: -1840.102 where: short stacking energy: -817.713 Base-Backbone interact. energy: -2.772 local terms energy: -877.743303 where: bonds (distance) C4'-P energy: -173.829 bonds (distance) P-C4' energy: -163.120 flat angles C4'-P-C4' energy: -177.130 flat angles P-C4'-P energy: -123.941 tors. eta vs tors. theta energy: -239.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2578.631948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.631948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.631948 (E_RNA) where: Base-Base interactions energy: -1728.334 where: short stacking energy: -773.620 Base-Backbone interact. energy: 0.851 local terms energy: -851.148214 where: bonds (distance) C4'-P energy: -164.691 bonds (distance) P-C4' energy: -168.969 flat angles C4'-P-C4' energy: -168.809 flat angles P-C4'-P energy: -139.269 tors. eta vs tors. theta energy: -209.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2376.810878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.810878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.810878 (E_RNA) where: Base-Base interactions energy: -1608.772 where: short stacking energy: -752.859 Base-Backbone interact. energy: -0.845 local terms energy: -767.193838 where: bonds (distance) C4'-P energy: -137.881 bonds (distance) P-C4' energy: -140.878 flat angles C4'-P-C4' energy: -190.064 flat angles P-C4'-P energy: -102.620 tors. eta vs tors. theta energy: -195.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1866.547580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.547580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.547580 (E_RNA) where: Base-Base interactions energy: -1169.332 where: short stacking energy: -547.375 Base-Backbone interact. energy: 3.334 local terms energy: -700.549161 where: bonds (distance) C4'-P energy: -141.581 bonds (distance) P-C4' energy: -158.362 flat angles C4'-P-C4' energy: -177.557 flat angles P-C4'-P energy: -97.274 tors. eta vs tors. theta energy: -125.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1562.235967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.235967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.235967 (E_RNA) where: Base-Base interactions energy: -939.408 where: short stacking energy: -459.125 Base-Backbone interact. energy: -4.908 local terms energy: -617.919208 where: bonds (distance) C4'-P energy: -161.882 bonds (distance) P-C4' energy: -137.164 flat angles C4'-P-C4' energy: -161.867 flat angles P-C4'-P energy: -91.083 tors. eta vs tors. theta energy: -65.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1303.765660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.765660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.765660 (E_RNA) where: Base-Base interactions energy: -749.537 where: short stacking energy: -362.364 Base-Backbone interact. energy: -3.586 local terms energy: -550.643273 where: bonds (distance) C4'-P energy: -140.091 bonds (distance) P-C4' energy: -159.825 flat angles C4'-P-C4' energy: -122.717 flat angles P-C4'-P energy: -86.596 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: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -703.451084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.451084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.451084 (E_RNA) where: Base-Base interactions energy: -240.064 where: short stacking energy: -215.102 Base-Backbone interact. energy: 5.111 local terms energy: -468.498499 where: bonds (distance) C4'-P energy: -123.686 bonds (distance) P-C4' energy: -164.208 flat angles C4'-P-C4' energy: -121.621 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: 14.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3159.228164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.228164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.228164 (E_RNA) where: Base-Base interactions energy: -2142.967 where: short stacking energy: -936.228 Base-Backbone interact. energy: -4.239 local terms energy: -1012.022467 where: bonds (distance) C4'-P energy: -182.791 bonds (distance) P-C4' energy: -187.152 flat angles C4'-P-C4' energy: -217.487 flat angles P-C4'-P energy: -148.044 tors. eta vs tors. theta energy: -276.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3025.375767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.375767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.375767 (E_RNA) where: Base-Base interactions energy: -2026.965 where: short stacking energy: -936.469 Base-Backbone interact. energy: -4.545 local terms energy: -993.865460 where: bonds (distance) C4'-P energy: -165.697 bonds (distance) P-C4' energy: -190.594 flat angles C4'-P-C4' energy: -215.913 flat angles P-C4'-P energy: -129.629 tors. eta vs tors. theta energy: -292.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2839.796258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.796258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.796258 (E_RNA) where: Base-Base interactions energy: -1914.786 where: short stacking energy: -853.747 Base-Backbone interact. energy: -5.410 local terms energy: -919.600898 where: bonds (distance) C4'-P energy: -156.992 bonds (distance) P-C4' energy: -180.522 flat angles C4'-P-C4' energy: -206.781 flat angles P-C4'-P energy: -130.699 tors. eta vs tors. theta energy: -244.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2789.175455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.175455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.175455 (E_RNA) where: Base-Base interactions energy: -1897.033 where: short stacking energy: -869.782 Base-Backbone interact. energy: -1.897 local terms energy: -890.245416 where: bonds (distance) C4'-P energy: -154.872 bonds (distance) P-C4' energy: -169.014 flat angles C4'-P-C4' energy: -202.978 flat angles P-C4'-P energy: -110.627 tors. eta vs tors. theta energy: -252.754 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: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2574.511757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.511757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.511757 (E_RNA) where: Base-Base interactions energy: -1745.359 where: short stacking energy: -764.309 Base-Backbone interact. energy: -5.484 local terms energy: -823.668467 where: bonds (distance) C4'-P energy: -161.126 bonds (distance) P-C4' energy: -147.560 flat angles C4'-P-C4' energy: -173.567 flat angles P-C4'-P energy: -129.261 tors. eta vs tors. theta energy: -212.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2341.686443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.686443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.686443 (E_RNA) where: Base-Base interactions energy: -1533.956 where: short stacking energy: -720.297 Base-Backbone interact. energy: -1.509 local terms energy: -806.221932 where: bonds (distance) C4'-P energy: -150.103 bonds (distance) P-C4' energy: -170.507 flat angles C4'-P-C4' energy: -169.389 flat angles P-C4'-P energy: -115.859 tors. eta vs tors. theta energy: -200.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1843.998909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.998909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.998909 (E_RNA) where: Base-Base interactions energy: -1158.079 where: short stacking energy: -548.288 Base-Backbone interact. energy: 3.914 local terms energy: -689.834569 where: bonds (distance) C4'-P energy: -158.337 bonds (distance) P-C4' energy: -150.375 flat angles C4'-P-C4' energy: -140.813 flat angles P-C4'-P energy: -113.421 tors. eta vs tors. theta energy: -126.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1636.940140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.940140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.940140 (E_RNA) where: Base-Base interactions energy: -987.072 where: short stacking energy: -500.860 Base-Backbone interact. energy: -1.106 local terms energy: -648.762455 where: bonds (distance) C4'-P energy: -147.401 bonds (distance) P-C4' energy: -129.235 flat angles C4'-P-C4' energy: -165.360 flat angles P-C4'-P energy: -97.252 tors. eta vs tors. theta energy: -109.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1345.655065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.655065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.655065 (E_RNA) where: Base-Base interactions energy: -774.555 where: short stacking energy: -391.688 Base-Backbone interact. energy: -0.477 local terms energy: -570.623388 where: bonds (distance) C4'-P energy: -140.654 bonds (distance) P-C4' energy: -144.631 flat angles C4'-P-C4' energy: -139.820 flat angles P-C4'-P energy: -80.007 tors. eta vs tors. theta energy: -65.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -676.250715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.250715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.250715 (E_RNA) where: Base-Base interactions energy: -224.045 where: short stacking energy: -198.035 Base-Backbone interact. energy: -4.470 local terms energy: -447.735055 where: bonds (distance) C4'-P energy: -153.166 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -115.398 flat angles P-C4'-P energy: -87.159 tors. eta vs tors. theta energy: 45.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3127.365777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.365777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.365777 (E_RNA) where: Base-Base interactions energy: -2146.990 where: short stacking energy: -939.400 Base-Backbone interact. energy: -1.139 local terms energy: -979.236788 where: bonds (distance) C4'-P energy: -209.095 bonds (distance) P-C4' energy: -173.193 flat angles C4'-P-C4' energy: -206.485 flat angles P-C4'-P energy: -133.145 tors. eta vs tors. theta energy: -257.319 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: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3007.541463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.541463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.541463 (E_RNA) where: Base-Base interactions energy: -2023.716 where: short stacking energy: -954.690 Base-Backbone interact. energy: -2.472 local terms energy: -981.353157 where: bonds (distance) C4'-P energy: -172.497 bonds (distance) P-C4' energy: -174.690 flat angles C4'-P-C4' energy: -213.980 flat angles P-C4'-P energy: -140.600 tors. eta vs tors. theta energy: -279.586 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: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2843.901857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.901857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.901857 (E_RNA) where: Base-Base interactions energy: -1897.542 where: short stacking energy: -883.837 Base-Backbone interact. energy: 0.624 local terms energy: -946.983440 where: bonds (distance) C4'-P energy: -160.397 bonds (distance) P-C4' energy: -183.275 flat angles C4'-P-C4' energy: -202.177 flat angles P-C4'-P energy: -137.906 tors. eta vs tors. theta energy: -263.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2827.937180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.937180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.937180 (E_RNA) where: Base-Base interactions energy: -1910.611 where: short stacking energy: -849.631 Base-Backbone interact. energy: -3.167 local terms energy: -914.158954 where: bonds (distance) C4'-P energy: -157.267 bonds (distance) P-C4' energy: -162.238 flat angles C4'-P-C4' energy: -202.264 flat angles P-C4'-P energy: -127.985 tors. eta vs tors. theta energy: -264.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2615.097404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.097404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.097404 (E_RNA) where: Base-Base interactions energy: -1771.097 where: short stacking energy: -774.981 Base-Backbone interact. energy: -1.275 local terms energy: -842.725490 where: bonds (distance) C4'-P energy: -154.696 bonds (distance) P-C4' energy: -167.232 flat angles C4'-P-C4' energy: -185.900 flat angles P-C4'-P energy: -117.000 tors. eta vs tors. theta energy: -217.897 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: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2385.702371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.702371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.702371 (E_RNA) where: Base-Base interactions energy: -1566.849 where: short stacking energy: -708.685 Base-Backbone interact. energy: 0.572 local terms energy: -819.425375 where: bonds (distance) C4'-P energy: -167.964 bonds (distance) P-C4' energy: -152.618 flat angles C4'-P-C4' energy: -181.748 flat angles P-C4'-P energy: -123.099 tors. eta vs tors. theta energy: -193.997 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: 408 Temperature: 1.200000 Total energy: -1860.469380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.469380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.469380 (E_RNA) where: Base-Base interactions energy: -1156.441 where: short stacking energy: -586.806 Base-Backbone interact. energy: -1.374 local terms energy: -702.654546 where: bonds (distance) C4'-P energy: -147.872 bonds (distance) P-C4' energy: -159.633 flat angles C4'-P-C4' energy: -169.216 flat angles P-C4'-P energy: -94.084 tors. eta vs tors. theta energy: -131.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1627.071166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.071166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.071166 (E_RNA) where: Base-Base interactions energy: -1007.071 where: short stacking energy: -482.340 Base-Backbone interact. energy: -3.498 local terms energy: -616.502707 where: bonds (distance) C4'-P energy: -143.016 bonds (distance) P-C4' energy: -141.297 flat angles C4'-P-C4' energy: -141.198 flat angles P-C4'-P energy: -104.013 tors. eta vs tors. theta energy: -86.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1318.980119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.980119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.980119 (E_RNA) where: Base-Base interactions energy: -806.273 where: short stacking energy: -399.193 Base-Backbone interact. energy: 0.110 local terms energy: -512.817419 where: bonds (distance) C4'-P energy: -145.520 bonds (distance) P-C4' energy: -166.939 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -62.377 tors. eta vs tors. theta energy: -39.183 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: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -702.601515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.601515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.601515 (E_RNA) where: Base-Base interactions energy: -287.123 where: short stacking energy: -209.129 Base-Backbone interact. energy: 1.925 local terms energy: -417.403162 where: bonds (distance) C4'-P energy: -141.886 bonds (distance) P-C4' energy: -144.420 flat angles C4'-P-C4' energy: -94.213 flat angles P-C4'-P energy: -65.878 tors. eta vs tors. theta energy: 28.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3139.990992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.990992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.990992 (E_RNA) where: Base-Base interactions energy: -2134.295 where: short stacking energy: -945.501 Base-Backbone interact. energy: -2.494 local terms energy: -1003.201673 where: bonds (distance) C4'-P energy: -176.952 bonds (distance) P-C4' energy: -197.772 flat angles C4'-P-C4' energy: -213.257 flat angles P-C4'-P energy: -131.337 tors. eta vs tors. theta energy: -283.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3029.730465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.730465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.730465 (E_RNA) where: Base-Base interactions energy: -2058.008 where: short stacking energy: -956.433 Base-Backbone interact. energy: -3.834 local terms energy: -967.888942 where: bonds (distance) C4'-P energy: -172.366 bonds (distance) P-C4' energy: -186.229 flat angles C4'-P-C4' energy: -203.998 flat angles P-C4'-P energy: -138.758 tors. eta vs tors. theta energy: -266.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2844.614168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.614168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.614168 (E_RNA) where: Base-Base interactions energy: -1936.012 where: short stacking energy: -872.788 Base-Backbone interact. energy: -3.722 local terms energy: -904.880341 where: bonds (distance) C4'-P energy: -175.869 bonds (distance) P-C4' energy: -172.784 flat angles C4'-P-C4' energy: -190.116 flat angles P-C4'-P energy: -119.955 tors. eta vs tors. theta energy: -246.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2804.675062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.675062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.675062 (E_RNA) where: Base-Base interactions energy: -1877.166 where: short stacking energy: -863.130 Base-Backbone interact. energy: 2.498 local terms energy: -930.007553 where: bonds (distance) C4'-P energy: -162.772 bonds (distance) P-C4' energy: -179.195 flat angles C4'-P-C4' energy: -201.189 flat angles P-C4'-P energy: -116.697 tors. eta vs tors. theta energy: -270.154 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: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2588.543966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.543966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.543966 (E_RNA) where: Base-Base interactions energy: -1739.681 where: short stacking energy: -797.435 Base-Backbone interact. energy: 3.166 local terms energy: -852.028778 where: bonds (distance) C4'-P energy: -164.716 bonds (distance) P-C4' energy: -179.734 flat angles C4'-P-C4' energy: -176.637 flat angles P-C4'-P energy: -111.181 tors. eta vs tors. theta energy: -219.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2337.020513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.020513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.020513 (E_RNA) where: Base-Base interactions energy: -1565.897 where: short stacking energy: -724.181 Base-Backbone interact. energy: 0.348 local terms energy: -771.471446 where: bonds (distance) C4'-P energy: -159.671 bonds (distance) P-C4' energy: -165.286 flat angles C4'-P-C4' energy: -169.086 flat angles P-C4'-P energy: -95.094 tors. eta vs tors. theta energy: -182.334 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: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1879.010877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.010877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.010877 (E_RNA) where: Base-Base interactions energy: -1170.667 where: short stacking energy: -548.073 Base-Backbone interact. energy: -4.136 local terms energy: -704.208021 where: bonds (distance) C4'-P energy: -161.024 bonds (distance) P-C4' energy: -160.409 flat angles C4'-P-C4' energy: -160.182 flat angles P-C4'-P energy: -101.152 tors. eta vs tors. theta energy: -121.443 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: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1613.155113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.155113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.155113 (E_RNA) where: Base-Base interactions energy: -1002.277 where: short stacking energy: -497.490 Base-Backbone interact. energy: -2.145 local terms energy: -608.733489 where: bonds (distance) C4'-P energy: -125.950 bonds (distance) P-C4' energy: -166.068 flat angles C4'-P-C4' energy: -143.662 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -90.016 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: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1342.430339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.430339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.430339 (E_RNA) where: Base-Base interactions energy: -771.054 where: short stacking energy: -373.603 Base-Backbone interact. energy: -1.110 local terms energy: -570.265477 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -156.615 flat angles C4'-P-C4' energy: -156.189 flat angles P-C4'-P energy: -88.077 tors. eta vs tors. theta energy: -37.088 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: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -716.419689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.419689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.419689 (E_RNA) where: Base-Base interactions energy: -263.533 where: short stacking energy: -221.688 Base-Backbone interact. energy: -0.838 local terms energy: -452.048589 where: bonds (distance) C4'-P energy: -138.758 bonds (distance) P-C4' energy: -125.241 flat angles C4'-P-C4' energy: -122.138 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: 14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3159.956202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.956202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.956202 (E_RNA) where: Base-Base interactions energy: -2154.010 where: short stacking energy: -982.652 Base-Backbone interact. energy: -2.532 local terms energy: -1003.414514 where: bonds (distance) C4'-P energy: -188.207 bonds (distance) P-C4' energy: -176.374 flat angles C4'-P-C4' energy: -212.188 flat angles P-C4'-P energy: -134.714 tors. eta vs tors. theta energy: -291.931 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: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3072.679110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.679110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.679110 (E_RNA) where: Base-Base interactions energy: -2085.455 where: short stacking energy: -940.894 Base-Backbone interact. energy: -0.112 local terms energy: -987.111336 where: bonds (distance) C4'-P energy: -173.656 bonds (distance) P-C4' energy: -179.669 flat angles C4'-P-C4' energy: -202.514 flat angles P-C4'-P energy: -144.541 tors. eta vs tors. theta energy: -286.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2878.286243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.286243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.286243 (E_RNA) where: Base-Base interactions energy: -1918.996 where: short stacking energy: -852.476 Base-Backbone interact. energy: -5.882 local terms energy: -953.407764 where: bonds (distance) C4'-P energy: -171.075 bonds (distance) P-C4' energy: -186.599 flat angles C4'-P-C4' energy: -199.893 flat angles P-C4'-P energy: -125.982 tors. eta vs tors. theta energy: -269.858 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: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2799.374219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.374219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.374219 (E_RNA) where: Base-Base interactions energy: -1914.540 where: short stacking energy: -861.512 Base-Backbone interact. energy: -1.351 local terms energy: -883.483638 where: bonds (distance) C4'-P energy: -167.884 bonds (distance) P-C4' energy: -157.898 flat angles C4'-P-C4' energy: -187.460 flat angles P-C4'-P energy: -117.212 tors. eta vs tors. theta energy: -253.029 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: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2625.370923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.370923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.370923 (E_RNA) where: Base-Base interactions energy: -1786.793 where: short stacking energy: -807.195 Base-Backbone interact. energy: 2.200 local terms energy: -840.778266 where: bonds (distance) C4'-P energy: -164.177 bonds (distance) P-C4' energy: -163.046 flat angles C4'-P-C4' energy: -179.590 flat angles P-C4'-P energy: -123.880 tors. eta vs tors. theta energy: -210.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2280.381050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.381050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.381050 (E_RNA) where: Base-Base interactions energy: -1482.319 where: short stacking energy: -687.267 Base-Backbone interact. energy: -1.661 local terms energy: -796.400920 where: bonds (distance) C4'-P energy: -151.982 bonds (distance) P-C4' energy: -169.708 flat angles C4'-P-C4' energy: -180.237 flat angles P-C4'-P energy: -128.600 tors. eta vs tors. theta energy: -165.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1924.604530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.604530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.604530 (E_RNA) where: Base-Base interactions energy: -1218.826 where: short stacking energy: -592.649 Base-Backbone interact. energy: 4.741 local terms energy: -710.518952 where: bonds (distance) C4'-P energy: -136.127 bonds (distance) P-C4' energy: -152.431 flat angles C4'-P-C4' energy: -183.702 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -141.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1582.932580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.932580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.932580 (E_RNA) where: Base-Base interactions energy: -984.788 where: short stacking energy: -459.167 Base-Backbone interact. energy: 0.780 local terms energy: -598.924678 where: bonds (distance) C4'-P energy: -139.314 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -156.310 flat angles P-C4'-P energy: -74.022 tors. eta vs tors. theta energy: -79.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1320.027752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.027752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.027752 (E_RNA) where: Base-Base interactions energy: -764.555 where: short stacking energy: -349.713 Base-Backbone interact. energy: -3.396 local terms energy: -552.076610 where: bonds (distance) C4'-P energy: -154.022 bonds (distance) P-C4' energy: -149.562 flat angles C4'-P-C4' energy: -131.481 flat angles P-C4'-P energy: -93.683 tors. eta vs tors. theta energy: -23.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -728.224216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.224216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.224216 (E_RNA) where: Base-Base interactions energy: -314.038 where: short stacking energy: -219.322 Base-Backbone interact. energy: 4.889 local terms energy: -419.075702 where: bonds (distance) C4'-P energy: -129.132 bonds (distance) P-C4' energy: -122.564 flat angles C4'-P-C4' energy: -121.740 flat angles P-C4'-P energy: -66.540 tors. eta vs tors. theta energy: 20.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3157.985139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.985139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.985139 (E_RNA) where: Base-Base interactions energy: -2135.954 where: short stacking energy: -957.797 Base-Backbone interact. energy: -3.691 local terms energy: -1018.340107 where: bonds (distance) C4'-P energy: -179.551 bonds (distance) P-C4' energy: -193.879 flat angles C4'-P-C4' energy: -217.110 flat angles P-C4'-P energy: -136.876 tors. eta vs tors. theta energy: -290.925 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: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3089.615406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.615406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.615406 (E_RNA) where: Base-Base interactions energy: -2070.786 where: short stacking energy: -934.618 Base-Backbone interact. energy: -5.289 local terms energy: -1013.540341 where: bonds (distance) C4'-P energy: -181.250 bonds (distance) P-C4' energy: -191.491 flat angles C4'-P-C4' energy: -209.913 flat angles P-C4'-P energy: -148.309 tors. eta vs tors. theta energy: -282.577 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: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2868.076670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.076670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.076670 (E_RNA) where: Base-Base interactions energy: -1915.128 where: short stacking energy: -884.603 Base-Backbone interact. energy: -3.659 local terms energy: -949.289887 where: bonds (distance) C4'-P energy: -179.231 bonds (distance) P-C4' energy: -181.898 flat angles C4'-P-C4' energy: -193.837 flat angles P-C4'-P energy: -136.008 tors. eta vs tors. theta energy: -258.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2762.104030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.104030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.104030 (E_RNA) where: Base-Base interactions energy: -1853.703 where: short stacking energy: -854.175 Base-Backbone interact. energy: -2.588 local terms energy: -905.813114 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -176.896 flat angles C4'-P-C4' energy: -193.491 flat angles P-C4'-P energy: -126.841 tors. eta vs tors. theta energy: -257.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2610.705457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.705457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.705457 (E_RNA) where: Base-Base interactions energy: -1782.740 where: short stacking energy: -806.324 Base-Backbone interact. energy: -0.012 local terms energy: -827.952989 where: bonds (distance) C4'-P energy: -154.154 bonds (distance) P-C4' energy: -163.586 flat angles C4'-P-C4' energy: -173.568 flat angles P-C4'-P energy: -118.787 tors. eta vs tors. theta energy: -217.857 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: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2403.974751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.974751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.974751 (E_RNA) where: Base-Base interactions energy: -1591.531 where: short stacking energy: -743.945 Base-Backbone interact. energy: 6.798 local terms energy: -819.241535 where: bonds (distance) C4'-P energy: -156.437 bonds (distance) P-C4' energy: -163.385 flat angles C4'-P-C4' energy: -185.033 flat angles P-C4'-P energy: -108.343 tors. eta vs tors. theta energy: -206.042 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: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1870.922854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.922854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.922854 (E_RNA) where: Base-Base interactions energy: -1185.994 where: short stacking energy: -559.804 Base-Backbone interact. energy: 1.698 local terms energy: -686.627308 where: bonds (distance) C4'-P energy: -123.791 bonds (distance) P-C4' energy: -165.678 flat angles C4'-P-C4' energy: -176.350 flat angles P-C4'-P energy: -99.221 tors. eta vs tors. theta energy: -121.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1605.685490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.685490 (E_RNA) where: Base-Base interactions energy: -992.285 where: short stacking energy: -458.136 Base-Backbone interact. energy: -2.404 local terms energy: -610.996611 where: bonds (distance) C4'-P energy: -148.873 bonds (distance) P-C4' energy: -173.430 flat angles C4'-P-C4' energy: -132.267 flat angles P-C4'-P energy: -85.263 tors. eta vs tors. theta energy: -71.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1305.296154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.296154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.296154 (E_RNA) where: Base-Base interactions energy: -725.784 where: short stacking energy: -369.561 Base-Backbone interact. energy: -4.035 local terms energy: -575.477665 where: bonds (distance) C4'-P energy: -132.646 bonds (distance) P-C4' energy: -169.591 flat angles C4'-P-C4' energy: -132.176 flat angles P-C4'-P energy: -81.282 tors. eta vs tors. theta energy: -59.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -661.504503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.504503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.504503 (E_RNA) where: Base-Base interactions energy: -228.662 where: short stacking energy: -188.327 Base-Backbone interact. energy: 3.398 local terms energy: -436.240096 where: bonds (distance) C4'-P energy: -112.717 bonds (distance) P-C4' energy: -149.941 flat angles C4'-P-C4' energy: -134.170 flat angles P-C4'-P energy: -67.782 tors. eta vs tors. theta energy: 28.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3174.498956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.498956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.498956 (E_RNA) where: Base-Base interactions energy: -2191.383 where: short stacking energy: -988.710 Base-Backbone interact. energy: -2.951 local terms energy: -980.165406 where: bonds (distance) C4'-P energy: -177.254 bonds (distance) P-C4' energy: -176.573 flat angles C4'-P-C4' energy: -203.200 flat angles P-C4'-P energy: -144.165 tors. eta vs tors. theta energy: -278.972 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3104.635813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.635813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.635813 (E_RNA) where: Base-Base interactions energy: -2139.681 where: short stacking energy: -961.944 Base-Backbone interact. energy: -3.193 local terms energy: -961.761592 where: bonds (distance) C4'-P energy: -166.986 bonds (distance) P-C4' energy: -167.000 flat angles C4'-P-C4' energy: -215.737 flat angles P-C4'-P energy: -132.257 tors. eta vs tors. theta energy: -279.782 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: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2883.463673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.463673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.463673 (E_RNA) where: Base-Base interactions energy: -1945.064 where: short stacking energy: -890.955 Base-Backbone interact. energy: -2.006 local terms energy: -936.394378 where: bonds (distance) C4'-P energy: -160.355 bonds (distance) P-C4' energy: -173.050 flat angles C4'-P-C4' energy: -201.090 flat angles P-C4'-P energy: -139.636 tors. eta vs tors. theta energy: -262.264 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: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2759.414909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.414909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.414909 (E_RNA) where: Base-Base interactions energy: -1908.292 where: short stacking energy: -852.659 Base-Backbone interact. energy: -2.665 local terms energy: -848.458031 where: bonds (distance) C4'-P energy: -165.824 bonds (distance) P-C4' energy: -151.112 flat angles C4'-P-C4' energy: -178.357 flat angles P-C4'-P energy: -124.918 tors. eta vs tors. theta energy: -228.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2621.826998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.826998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.826998 (E_RNA) where: Base-Base interactions energy: -1780.814 where: short stacking energy: -780.421 Base-Backbone interact. energy: 1.557 local terms energy: -842.570470 where: bonds (distance) C4'-P energy: -158.243 bonds (distance) P-C4' energy: -164.458 flat angles C4'-P-C4' energy: -176.075 flat angles P-C4'-P energy: -127.265 tors. eta vs tors. theta energy: -216.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2375.685338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.685338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.685338 (E_RNA) where: Base-Base interactions energy: -1605.657 where: short stacking energy: -733.980 Base-Backbone interact. energy: 0.891 local terms energy: -770.919635 where: bonds (distance) C4'-P energy: -154.857 bonds (distance) P-C4' energy: -138.193 flat angles C4'-P-C4' energy: -177.415 flat angles P-C4'-P energy: -97.745 tors. eta vs tors. theta energy: -202.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1848.426080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.426080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.426080 (E_RNA) where: Base-Base interactions energy: -1152.591 where: short stacking energy: -538.773 Base-Backbone interact. energy: 3.603 local terms energy: -699.438097 where: bonds (distance) C4'-P energy: -143.494 bonds (distance) P-C4' energy: -171.413 flat angles C4'-P-C4' energy: -159.691 flat angles P-C4'-P energy: -98.508 tors. eta vs tors. theta energy: -126.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1603.610860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.610860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.610860 (E_RNA) where: Base-Base interactions energy: -986.521 where: short stacking energy: -468.615 Base-Backbone interact. energy: -1.202 local terms energy: -615.887636 where: bonds (distance) C4'-P energy: -147.936 bonds (distance) P-C4' energy: -172.251 flat angles C4'-P-C4' energy: -137.158 flat angles P-C4'-P energy: -88.390 tors. eta vs tors. theta energy: -70.152 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: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1280.954254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.954254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.954254 (E_RNA) where: Base-Base interactions energy: -727.880 where: short stacking energy: -393.612 Base-Backbone interact. energy: -7.581 local terms energy: -545.493799 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -165.856 flat angles C4'-P-C4' energy: -128.549 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -37.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -676.849379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.849379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.849379 (E_RNA) where: Base-Base interactions energy: -223.952 where: short stacking energy: -189.006 Base-Backbone interact. energy: -1.707 local terms energy: -451.190868 where: bonds (distance) C4'-P energy: -141.459 bonds (distance) P-C4' energy: -151.195 flat angles C4'-P-C4' energy: -140.750 flat angles P-C4'-P energy: -66.161 tors. eta vs tors. theta energy: 48.374 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: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3128.821799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.821799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.821799 (E_RNA) where: Base-Base interactions energy: -2128.993 where: short stacking energy: -968.645 Base-Backbone interact. energy: -1.599 local terms energy: -998.229238 where: bonds (distance) C4'-P energy: -177.549 bonds (distance) P-C4' energy: -175.888 flat angles C4'-P-C4' energy: -215.631 flat angles P-C4'-P energy: -143.415 tors. eta vs tors. theta energy: -285.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3076.716942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.716942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.716942 (E_RNA) where: Base-Base interactions energy: -2116.533 where: short stacking energy: -943.968 Base-Backbone interact. energy: -7.371 local terms energy: -952.813048 where: bonds (distance) C4'-P energy: -162.292 bonds (distance) P-C4' energy: -166.697 flat angles C4'-P-C4' energy: -211.975 flat angles P-C4'-P energy: -138.653 tors. eta vs tors. theta energy: -273.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2889.629970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.629970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.629970 (E_RNA) where: Base-Base interactions energy: -1962.362 where: short stacking energy: -865.047 Base-Backbone interact. energy: -1.674 local terms energy: -925.594453 where: bonds (distance) C4'-P energy: -175.558 bonds (distance) P-C4' energy: -173.130 flat angles C4'-P-C4' energy: -212.161 flat angles P-C4'-P energy: -102.077 tors. eta vs tors. theta energy: -262.669 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: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2752.573365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.573365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.573365 (E_RNA) where: Base-Base interactions energy: -1869.901 where: short stacking energy: -829.382 Base-Backbone interact. energy: -1.257 local terms energy: -881.415694 where: bonds (distance) C4'-P energy: -157.844 bonds (distance) P-C4' energy: -168.479 flat angles C4'-P-C4' energy: -198.944 flat angles P-C4'-P energy: -123.653 tors. eta vs tors. theta energy: -232.496 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: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2585.109254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.109254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.109254 (E_RNA) where: Base-Base interactions energy: -1760.114 where: short stacking energy: -770.104 Base-Backbone interact. energy: -4.921 local terms energy: -820.073772 where: bonds (distance) C4'-P energy: -158.346 bonds (distance) P-C4' energy: -178.374 flat angles C4'-P-C4' energy: -165.206 flat angles P-C4'-P energy: -106.356 tors. eta vs tors. theta energy: -211.792 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: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2308.421015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.421015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.421015 (E_RNA) where: Base-Base interactions energy: -1520.869 where: short stacking energy: -730.089 Base-Backbone interact. energy: -0.221 local terms energy: -787.330975 where: bonds (distance) C4'-P energy: -138.195 bonds (distance) P-C4' energy: -160.474 flat angles C4'-P-C4' energy: -175.645 flat angles P-C4'-P energy: -123.128 tors. eta vs tors. theta energy: -189.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1912.792828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.792828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.792828 (E_RNA) where: Base-Base interactions energy: -1232.400 where: short stacking energy: -534.600 Base-Backbone interact. energy: 0.190 local terms energy: -680.582452 where: bonds (distance) C4'-P energy: -150.789 bonds (distance) P-C4' energy: -164.757 flat angles C4'-P-C4' energy: -153.277 flat angles P-C4'-P energy: -104.123 tors. eta vs tors. theta energy: -107.636 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: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1584.690243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.690243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.690243 (E_RNA) where: Base-Base interactions energy: -945.286 where: short stacking energy: -457.598 Base-Backbone interact. energy: -0.241 local terms energy: -639.163375 where: bonds (distance) C4'-P energy: -149.201 bonds (distance) P-C4' energy: -173.998 flat angles C4'-P-C4' energy: -151.568 flat angles P-C4'-P energy: -68.781 tors. eta vs tors. theta energy: -95.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1299.074977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.074977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.074977 (E_RNA) where: Base-Base interactions energy: -754.607 where: short stacking energy: -367.994 Base-Backbone interact. energy: 2.692 local terms energy: -547.160078 where: bonds (distance) C4'-P energy: -125.765 bonds (distance) P-C4' energy: -148.181 flat angles C4'-P-C4' energy: -131.475 flat angles P-C4'-P energy: -91.297 tors. eta vs tors. theta energy: -50.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -690.200204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.200204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.200204 (E_RNA) where: Base-Base interactions energy: -244.567 where: short stacking energy: -234.458 Base-Backbone interact. energy: -4.533 local terms energy: -441.100560 where: bonds (distance) C4'-P energy: -140.097 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: 11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3158.174879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.174879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.174879 (E_RNA) where: Base-Base interactions energy: -2134.243 where: short stacking energy: -966.894 Base-Backbone interact. energy: -2.031 local terms energy: -1021.900499 where: bonds (distance) C4'-P energy: -180.983 bonds (distance) P-C4' energy: -192.987 flat angles C4'-P-C4' energy: -206.142 flat angles P-C4'-P energy: -152.230 tors. eta vs tors. theta energy: -289.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3087.485034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.485034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.485034 (E_RNA) where: Base-Base interactions energy: -2102.187 where: short stacking energy: -917.276 Base-Backbone interact. energy: -4.353 local terms energy: -980.944492 where: bonds (distance) C4'-P energy: -180.711 bonds (distance) P-C4' energy: -182.905 flat angles C4'-P-C4' energy: -212.315 flat angles P-C4'-P energy: -152.110 tors. eta vs tors. theta energy: -252.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2829.850787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.850787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.850787 (E_RNA) where: Base-Base interactions energy: -1911.840 where: short stacking energy: -839.555 Base-Backbone interact. energy: -2.560 local terms energy: -915.450923 where: bonds (distance) C4'-P energy: -167.625 bonds (distance) P-C4' energy: -168.272 flat angles C4'-P-C4' energy: -199.362 flat angles P-C4'-P energy: -129.442 tors. eta vs tors. theta energy: -250.749 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: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2781.952461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.952461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.952461 (E_RNA) where: Base-Base interactions energy: -1869.356 where: short stacking energy: -830.168 Base-Backbone interact. energy: -0.847 local terms energy: -911.749117 where: bonds (distance) C4'-P energy: -179.064 bonds (distance) P-C4' energy: -168.790 flat angles C4'-P-C4' energy: -189.302 flat angles P-C4'-P energy: -132.445 tors. eta vs tors. theta energy: -242.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2647.804814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.804814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.804814 (E_RNA) where: Base-Base interactions energy: -1775.318 where: short stacking energy: -812.813 Base-Backbone interact. energy: -0.744 local terms energy: -871.742769 where: bonds (distance) C4'-P energy: -155.980 bonds (distance) P-C4' energy: -174.365 flat angles C4'-P-C4' energy: -180.426 flat angles P-C4'-P energy: -127.903 tors. eta vs tors. theta energy: -233.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2316.446603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.446603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.446603 (E_RNA) where: Base-Base interactions energy: -1546.789 where: short stacking energy: -737.190 Base-Backbone interact. energy: 3.333 local terms energy: -772.990355 where: bonds (distance) C4'-P energy: -147.798 bonds (distance) P-C4' energy: -175.314 flat angles C4'-P-C4' energy: -167.575 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: -190.488 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: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1861.827653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.827653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.827653 (E_RNA) where: Base-Base interactions energy: -1168.913 where: short stacking energy: -550.247 Base-Backbone interact. energy: -1.044 local terms energy: -691.870606 where: bonds (distance) C4'-P energy: -152.285 bonds (distance) P-C4' energy: -161.440 flat angles C4'-P-C4' energy: -175.683 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -114.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1434.803345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.803345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.803345 (E_RNA) where: Base-Base interactions energy: -856.640 where: short stacking energy: -411.118 Base-Backbone interact. energy: 0.115 local terms energy: -578.279119 where: bonds (distance) C4'-P energy: -138.541 bonds (distance) P-C4' energy: -146.493 flat angles C4'-P-C4' energy: -159.342 flat angles P-C4'-P energy: -73.254 tors. eta vs tors. theta energy: -60.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1274.654776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.654776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.654776 (E_RNA) where: Base-Base interactions energy: -716.859 where: short stacking energy: -366.107 Base-Backbone interact. energy: -5.209 local terms energy: -552.586360 where: bonds (distance) C4'-P energy: -151.119 bonds (distance) P-C4' energy: -156.211 flat angles C4'-P-C4' energy: -138.710 flat angles P-C4'-P energy: -82.138 tors. eta vs tors. theta energy: -24.407 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: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -707.529566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.529566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.529566 (E_RNA) where: Base-Base interactions energy: -275.344 where: short stacking energy: -230.112 Base-Backbone interact. energy: 8.346 local terms energy: -440.530866 where: bonds (distance) C4'-P energy: -115.169 bonds (distance) P-C4' energy: -153.240 flat angles C4'-P-C4' energy: -128.673 flat angles P-C4'-P energy: -67.935 tors. eta vs tors. theta energy: 24.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3168.098385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.098385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.098385 (E_RNA) where: Base-Base interactions energy: -2148.590 where: short stacking energy: -976.980 Base-Backbone interact. energy: -3.047 local terms energy: -1016.461642 where: bonds (distance) C4'-P energy: -187.128 bonds (distance) P-C4' energy: -181.647 flat angles C4'-P-C4' energy: -215.342 flat angles P-C4'-P energy: -133.591 tors. eta vs tors. theta energy: -298.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3105.159049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.159049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.159049 (E_RNA) where: Base-Base interactions energy: -2138.357 where: short stacking energy: -945.307 Base-Backbone interact. energy: -3.053 local terms energy: -963.749366 where: bonds (distance) C4'-P energy: -176.256 bonds (distance) P-C4' energy: -177.295 flat angles C4'-P-C4' energy: -205.170 flat angles P-C4'-P energy: -139.495 tors. eta vs tors. theta energy: -265.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2858.217023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.217023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.217023 (E_RNA) where: Base-Base interactions energy: -1927.413 where: short stacking energy: -905.967 Base-Backbone interact. energy: 4.223 local terms energy: -935.026159 where: bonds (distance) C4'-P energy: -168.962 bonds (distance) P-C4' energy: -175.610 flat angles C4'-P-C4' energy: -201.042 flat angles P-C4'-P energy: -112.314 tors. eta vs tors. theta energy: -277.098 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: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2784.236406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.236406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.236406 (E_RNA) where: Base-Base interactions energy: -1878.161 where: short stacking energy: -833.351 Base-Backbone interact. energy: -0.744 local terms energy: -905.331988 where: bonds (distance) C4'-P energy: -136.976 bonds (distance) P-C4' energy: -179.241 flat angles C4'-P-C4' energy: -196.517 flat angles P-C4'-P energy: -140.062 tors. eta vs tors. theta energy: -252.535 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: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2608.669781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.669781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.669781 (E_RNA) where: Base-Base interactions energy: -1769.154 where: short stacking energy: -772.606 Base-Backbone interact. energy: -2.780 local terms energy: -836.735722 where: bonds (distance) C4'-P energy: -173.057 bonds (distance) P-C4' energy: -161.544 flat angles C4'-P-C4' energy: -191.090 flat angles P-C4'-P energy: -114.299 tors. eta vs tors. theta energy: -196.746 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: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2255.696133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.696133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.696133 (E_RNA) where: Base-Base interactions energy: -1506.608 where: short stacking energy: -678.319 Base-Backbone interact. energy: 3.933 local terms energy: -753.020695 where: bonds (distance) C4'-P energy: -139.434 bonds (distance) P-C4' energy: -154.128 flat angles C4'-P-C4' energy: -167.888 flat angles P-C4'-P energy: -109.471 tors. eta vs tors. theta energy: -182.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1898.122521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.122521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.122521 (E_RNA) where: Base-Base interactions energy: -1190.768 where: short stacking energy: -566.874 Base-Backbone interact. energy: 1.854 local terms energy: -709.208923 where: bonds (distance) C4'-P energy: -156.306 bonds (distance) P-C4' energy: -163.559 flat angles C4'-P-C4' energy: -161.727 flat angles P-C4'-P energy: -96.195 tors. eta vs tors. theta energy: -131.422 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: 415 Temperature: 1.250000 Total energy: -1527.532073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.532073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.532073 (E_RNA) where: Base-Base interactions energy: -873.481 where: short stacking energy: -445.742 Base-Backbone interact. energy: -0.971 local terms energy: -653.080414 where: bonds (distance) C4'-P energy: -154.632 bonds (distance) P-C4' energy: -170.590 flat angles C4'-P-C4' energy: -159.538 flat angles P-C4'-P energy: -92.518 tors. eta vs tors. theta energy: -75.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1280.313748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.313748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.313748 (E_RNA) where: Base-Base interactions energy: -715.069 where: short stacking energy: -363.333 Base-Backbone interact. energy: 4.208 local terms energy: -569.453110 where: bonds (distance) C4'-P energy: -168.936 bonds (distance) P-C4' energy: -173.706 flat angles C4'-P-C4' energy: -116.756 flat angles P-C4'-P energy: -76.861 tors. eta vs tors. theta energy: -33.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -693.070762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.070762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.070762 (E_RNA) where: Base-Base interactions energy: -268.136 where: short stacking energy: -216.416 Base-Backbone interact. energy: 5.031 local terms energy: -429.965634 where: bonds (distance) C4'-P energy: -127.944 bonds (distance) P-C4' energy: -142.622 flat angles C4'-P-C4' energy: -132.902 flat angles P-C4'-P energy: -67.924 tors. eta vs tors. theta energy: 41.426 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: 416 Temperature: 0.900000 Total energy: -3170.940842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.940842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.940842 (E_RNA) where: Base-Base interactions energy: -2161.904 where: short stacking energy: -955.704 Base-Backbone interact. energy: 0.073 local terms energy: -1009.109339 where: bonds (distance) C4'-P energy: -184.152 bonds (distance) P-C4' energy: -188.161 flat angles C4'-P-C4' energy: -208.979 flat angles P-C4'-P energy: -142.445 tors. eta vs tors. theta energy: -285.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3110.463842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.463842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.463842 (E_RNA) where: Base-Base interactions energy: -2101.310 where: short stacking energy: -966.158 Base-Backbone interact. energy: -1.509 local terms energy: -1007.644224 where: bonds (distance) C4'-P energy: -179.344 bonds (distance) P-C4' energy: -198.444 flat angles C4'-P-C4' energy: -206.722 flat angles P-C4'-P energy: -133.496 tors. eta vs tors. theta energy: -289.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2884.916028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.916028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.916028 (E_RNA) where: Base-Base interactions energy: -1959.246 where: short stacking energy: -903.993 Base-Backbone interact. energy: -1.875 local terms energy: -923.795009 where: bonds (distance) C4'-P energy: -169.123 bonds (distance) P-C4' energy: -174.188 flat angles C4'-P-C4' energy: -188.054 flat angles P-C4'-P energy: -119.275 tors. eta vs tors. theta energy: -273.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2804.248038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.248038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.248038 (E_RNA) where: Base-Base interactions energy: -1899.223 where: short stacking energy: -847.676 Base-Backbone interact. energy: -2.202 local terms energy: -902.823452 where: bonds (distance) C4'-P energy: -159.507 bonds (distance) P-C4' energy: -178.727 flat angles C4'-P-C4' energy: -198.276 flat angles P-C4'-P energy: -127.098 tors. eta vs tors. theta energy: -239.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2581.380831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.380831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.380831 (E_RNA) where: Base-Base interactions energy: -1738.809 where: short stacking energy: -782.615 Base-Backbone interact. energy: -0.628 local terms energy: -841.943375 where: bonds (distance) C4'-P energy: -154.944 bonds (distance) P-C4' energy: -181.931 flat angles C4'-P-C4' energy: -184.948 flat angles P-C4'-P energy: -105.471 tors. eta vs tors. theta energy: -214.650 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: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2332.625972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.625972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.625972 (E_RNA) where: Base-Base interactions energy: -1548.772 where: short stacking energy: -743.623 Base-Backbone interact. energy: -0.726 local terms energy: -783.128221 where: bonds (distance) C4'-P energy: -144.693 bonds (distance) P-C4' energy: -155.976 flat angles C4'-P-C4' energy: -192.856 flat angles P-C4'-P energy: -98.937 tors. eta vs tors. theta energy: -190.665 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: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1891.112983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.112983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.112983 (E_RNA) where: Base-Base interactions energy: -1194.011 where: short stacking energy: -530.808 Base-Backbone interact. energy: 4.351 local terms energy: -701.453027 where: bonds (distance) C4'-P energy: -151.974 bonds (distance) P-C4' energy: -155.895 flat angles C4'-P-C4' energy: -163.611 flat angles P-C4'-P energy: -106.376 tors. eta vs tors. theta energy: -123.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1535.860877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.860877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.860877 (E_RNA) where: Base-Base interactions energy: -890.402 where: short stacking energy: -480.502 Base-Backbone interact. energy: 3.704 local terms energy: -649.162906 where: bonds (distance) C4'-P energy: -147.576 bonds (distance) P-C4' energy: -166.189 flat angles C4'-P-C4' energy: -148.335 flat angles P-C4'-P energy: -94.863 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: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1304.829565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.829565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.829565 (E_RNA) where: Base-Base interactions energy: -756.742 where: short stacking energy: -377.086 Base-Backbone interact. energy: -0.004 local terms energy: -548.083473 where: bonds (distance) C4'-P energy: -137.263 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -134.431 flat angles P-C4'-P energy: -84.768 tors. eta vs tors. theta energy: -44.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -675.247595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.247595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.247595 (E_RNA) where: Base-Base interactions energy: -273.957 where: short stacking energy: -221.673 Base-Backbone interact. energy: -2.328 local terms energy: -398.961794 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -144.454 flat angles C4'-P-C4' energy: -111.499 flat angles P-C4'-P energy: -55.519 tors. eta vs tors. theta energy: 32.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3162.553946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.553946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.553946 (E_RNA) where: Base-Base interactions energy: -2150.895 where: short stacking energy: -939.107 Base-Backbone interact. energy: -4.016 local terms energy: -1007.642439 where: bonds (distance) C4'-P energy: -184.065 bonds (distance) P-C4' energy: -183.973 flat angles C4'-P-C4' energy: -212.323 flat angles P-C4'-P energy: -149.469 tors. eta vs tors. theta energy: -277.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3087.721662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.721662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.721662 (E_RNA) where: Base-Base interactions energy: -2107.274 where: short stacking energy: -947.654 Base-Backbone interact. energy: -3.826 local terms energy: -976.621806 where: bonds (distance) C4'-P energy: -188.320 bonds (distance) P-C4' energy: -169.935 flat angles C4'-P-C4' energy: -195.697 flat angles P-C4'-P energy: -136.190 tors. eta vs tors. theta energy: -286.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2901.501122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.501122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.501122 (E_RNA) where: Base-Base interactions energy: -1959.616 where: short stacking energy: -893.893 Base-Backbone interact. energy: 3.230 local terms energy: -945.114794 where: bonds (distance) C4'-P energy: -174.905 bonds (distance) P-C4' energy: -175.510 flat angles C4'-P-C4' energy: -204.577 flat angles P-C4'-P energy: -128.806 tors. eta vs tors. theta energy: -261.317 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: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2772.731235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.731235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.731235 (E_RNA) where: Base-Base interactions energy: -1859.591 where: short stacking energy: -815.947 Base-Backbone interact. energy: 0.911 local terms energy: -914.051350 where: bonds (distance) C4'-P energy: -160.028 bonds (distance) P-C4' energy: -174.129 flat angles C4'-P-C4' energy: -191.856 flat angles P-C4'-P energy: -135.124 tors. eta vs tors. theta energy: -252.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2616.504183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.504183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.504183 (E_RNA) where: Base-Base interactions energy: -1768.039 where: short stacking energy: -792.703 Base-Backbone interact. energy: -2.491 local terms energy: -845.973314 where: bonds (distance) C4'-P energy: -174.363 bonds (distance) P-C4' energy: -160.487 flat angles C4'-P-C4' energy: -178.583 flat angles P-C4'-P energy: -124.485 tors. eta vs tors. theta energy: -208.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2374.244959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.244959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.244959 (E_RNA) where: Base-Base interactions energy: -1624.424 where: short stacking energy: -734.026 Base-Backbone interact. energy: 6.483 local terms energy: -756.303908 where: bonds (distance) C4'-P energy: -130.423 bonds (distance) P-C4' energy: -160.170 flat angles C4'-P-C4' energy: -170.806 flat angles P-C4'-P energy: -114.499 tors. eta vs tors. theta energy: -180.406 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: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1932.173158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.173158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.173158 (E_RNA) where: Base-Base interactions energy: -1231.014 where: short stacking energy: -574.454 Base-Backbone interact. energy: -2.660 local terms energy: -698.499428 where: bonds (distance) C4'-P energy: -151.017 bonds (distance) P-C4' energy: -152.111 flat angles C4'-P-C4' energy: -153.257 flat angles P-C4'-P energy: -106.321 tors. eta vs tors. theta energy: -135.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1559.599640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.599640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.599640 (E_RNA) where: Base-Base interactions energy: -883.455 where: short stacking energy: -449.349 Base-Backbone interact. energy: -4.355 local terms energy: -671.789907 where: bonds (distance) C4'-P energy: -143.963 bonds (distance) P-C4' energy: -157.302 flat angles C4'-P-C4' energy: -174.974 flat angles P-C4'-P energy: -100.759 tors. eta vs tors. theta energy: -94.792 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: 9, replica: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1354.212790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.212790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.212790 (E_RNA) where: Base-Base interactions energy: -756.549 where: short stacking energy: -369.340 Base-Backbone interact. energy: 1.297 local terms energy: -598.961384 where: bonds (distance) C4'-P energy: -138.840 bonds (distance) P-C4' energy: -164.550 flat angles C4'-P-C4' energy: -141.401 flat angles P-C4'-P energy: -102.387 tors. eta vs tors. theta energy: -51.783 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: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -674.808866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.808866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.808866 (E_RNA) where: Base-Base interactions energy: -196.410 where: short stacking energy: -166.688 Base-Backbone interact. energy: 0.989 local terms energy: -479.387552 where: bonds (distance) C4'-P energy: -150.200 bonds (distance) P-C4' energy: -173.637 flat angles C4'-P-C4' energy: -131.937 flat angles P-C4'-P energy: -66.561 tors. eta vs tors. theta energy: 42.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3193.165920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.165920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.165920 (E_RNA) where: Base-Base interactions energy: -2154.786 where: short stacking energy: -952.332 Base-Backbone interact. energy: -4.915 local terms energy: -1033.465306 where: bonds (distance) C4'-P energy: -205.617 bonds (distance) P-C4' energy: -201.809 flat angles C4'-P-C4' energy: -200.408 flat angles P-C4'-P energy: -151.298 tors. eta vs tors. theta energy: -274.334 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: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3094.531201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.531201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.531201 (E_RNA) where: Base-Base interactions energy: -2136.431 where: short stacking energy: -941.410 Base-Backbone interact. energy: 1.353 local terms energy: -959.452963 where: bonds (distance) C4'-P energy: -164.265 bonds (distance) P-C4' energy: -175.722 flat angles C4'-P-C4' energy: -193.893 flat angles P-C4'-P energy: -144.861 tors. eta vs tors. theta energy: -280.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2903.187034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.187034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.187034 (E_RNA) where: Base-Base interactions energy: -1979.472 where: short stacking energy: -879.635 Base-Backbone interact. energy: -2.638 local terms energy: -921.077286 where: bonds (distance) C4'-P energy: -163.735 bonds (distance) P-C4' energy: -176.011 flat angles C4'-P-C4' energy: -192.637 flat angles P-C4'-P energy: -126.390 tors. eta vs tors. theta energy: -262.304 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: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2739.527322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.527322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.527322 (E_RNA) where: Base-Base interactions energy: -1874.455 where: short stacking energy: -857.935 Base-Backbone interact. energy: 1.774 local terms energy: -866.846863 where: bonds (distance) C4'-P energy: -164.225 bonds (distance) P-C4' energy: -164.312 flat angles C4'-P-C4' energy: -190.408 flat angles P-C4'-P energy: -116.282 tors. eta vs tors. theta energy: -231.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2621.996717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.996717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.996717 (E_RNA) where: Base-Base interactions energy: -1761.624 where: short stacking energy: -791.705 Base-Backbone interact. energy: -1.895 local terms energy: -858.478445 where: bonds (distance) C4'-P energy: -168.636 bonds (distance) P-C4' energy: -166.686 flat angles C4'-P-C4' energy: -185.143 flat angles P-C4'-P energy: -118.115 tors. eta vs tors. theta energy: -219.898 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: 6, replica: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2379.819040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.819040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.819040 (E_RNA) where: Base-Base interactions energy: -1611.685 where: short stacking energy: -714.085 Base-Backbone interact. energy: 2.293 local terms energy: -770.427240 where: bonds (distance) C4'-P energy: -144.065 bonds (distance) P-C4' energy: -154.844 flat angles C4'-P-C4' energy: -174.951 flat angles P-C4'-P energy: -101.488 tors. eta vs tors. theta energy: -195.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1942.533853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.533853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.533853 (E_RNA) where: Base-Base interactions energy: -1233.084 where: short stacking energy: -590.064 Base-Backbone interact. energy: 0.631 local terms energy: -710.080542 where: bonds (distance) C4'-P energy: -165.798 bonds (distance) P-C4' energy: -148.757 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -98.172 tors. eta vs tors. theta energy: -147.822 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: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1571.841137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.841137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.841137 (E_RNA) where: Base-Base interactions energy: -937.837 where: short stacking energy: -477.758 Base-Backbone interact. energy: 1.267 local terms energy: -635.271781 where: bonds (distance) C4'-P energy: -147.264 bonds (distance) P-C4' energy: -146.768 flat angles C4'-P-C4' energy: -150.774 flat angles P-C4'-P energy: -94.158 tors. eta vs tors. theta energy: -96.308 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: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1277.794964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.794964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.794964 (E_RNA) where: Base-Base interactions energy: -764.485 where: short stacking energy: -389.019 Base-Backbone interact. energy: 3.886 local terms energy: -517.196000 where: bonds (distance) C4'-P energy: -115.857 bonds (distance) P-C4' energy: -141.306 flat angles C4'-P-C4' energy: -141.512 flat angles P-C4'-P energy: -81.518 tors. eta vs tors. theta energy: -37.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -675.818172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.818172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.818172 (E_RNA) where: Base-Base interactions energy: -238.905 where: short stacking energy: -206.198 Base-Backbone interact. energy: 0.550 local terms energy: -437.462727 where: bonds (distance) C4'-P energy: -129.684 bonds (distance) P-C4' energy: -159.453 flat angles C4'-P-C4' energy: -128.511 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: 38.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3185.553071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.553071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.553071 (E_RNA) where: Base-Base interactions energy: -2173.611 where: short stacking energy: -945.770 Base-Backbone interact. energy: -5.267 local terms energy: -1006.674375 where: bonds (distance) C4'-P energy: -175.839 bonds (distance) P-C4' energy: -194.214 flat angles C4'-P-C4' energy: -218.299 flat angles P-C4'-P energy: -139.923 tors. eta vs tors. theta energy: -278.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3111.815478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.815478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.815478 (E_RNA) where: Base-Base interactions energy: -2098.262 where: short stacking energy: -974.158 Base-Backbone interact. energy: -4.036 local terms energy: -1009.517554 where: bonds (distance) C4'-P energy: -183.087 bonds (distance) P-C4' energy: -196.970 flat angles C4'-P-C4' energy: -206.192 flat angles P-C4'-P energy: -139.387 tors. eta vs tors. theta energy: -283.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2952.219892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.219892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.219892 (E_RNA) where: Base-Base interactions energy: -1993.248 where: short stacking energy: -887.452 Base-Backbone interact. energy: -1.909 local terms energy: -957.062937 where: bonds (distance) C4'-P energy: -175.585 bonds (distance) P-C4' energy: -184.932 flat angles C4'-P-C4' energy: -205.939 flat angles P-C4'-P energy: -132.894 tors. eta vs tors. theta energy: -257.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2701.746395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.746395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.746395 (E_RNA) where: Base-Base interactions energy: -1811.981 where: short stacking energy: -819.307 Base-Backbone interact. energy: -2.897 local terms energy: -886.868571 where: bonds (distance) C4'-P energy: -165.464 bonds (distance) P-C4' energy: -157.905 flat angles C4'-P-C4' energy: -192.467 flat angles P-C4'-P energy: -126.127 tors. eta vs tors. theta energy: -244.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2628.816632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.816632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.816632 (E_RNA) where: Base-Base interactions energy: -1770.891 where: short stacking energy: -843.121 Base-Backbone interact. energy: -3.536 local terms energy: -854.389900 where: bonds (distance) C4'-P energy: -160.402 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -171.360 flat angles P-C4'-P energy: -121.048 tors. eta vs tors. theta energy: -245.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2401.954859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.954859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.954859 (E_RNA) where: Base-Base interactions energy: -1629.899 where: short stacking energy: -719.481 Base-Backbone interact. energy: 5.028 local terms energy: -777.083773 where: bonds (distance) C4'-P energy: -157.704 bonds (distance) P-C4' energy: -158.720 flat angles C4'-P-C4' energy: -157.744 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -198.408 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: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1979.634158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.634158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.634158 (E_RNA) where: Base-Base interactions energy: -1244.903 where: short stacking energy: -594.419 Base-Backbone interact. energy: 5.803 local terms energy: -740.534788 where: bonds (distance) C4'-P energy: -157.272 bonds (distance) P-C4' energy: -156.807 flat angles C4'-P-C4' energy: -181.149 flat angles P-C4'-P energy: -108.928 tors. eta vs tors. theta energy: -136.380 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: 419 Temperature: 1.250000 Total energy: -1561.850337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.850337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.850337 (E_RNA) where: Base-Base interactions energy: -923.996 where: short stacking energy: -466.584 Base-Backbone interact. energy: -0.588 local terms energy: -637.267114 where: bonds (distance) C4'-P energy: -158.967 bonds (distance) P-C4' energy: -134.799 flat angles C4'-P-C4' energy: -160.400 flat angles P-C4'-P energy: -99.137 tors. eta vs tors. theta energy: -83.964 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: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1319.226664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.226664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.226664 (E_RNA) where: Base-Base interactions energy: -768.740 where: short stacking energy: -369.505 Base-Backbone interact. energy: -1.549 local terms energy: -548.937481 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -175.263 flat angles C4'-P-C4' energy: -124.592 flat angles P-C4'-P energy: -102.299 tors. eta vs tors. theta energy: -26.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -709.808662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.808662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.808662 (E_RNA) where: Base-Base interactions energy: -224.851 where: short stacking energy: -172.227 Base-Backbone interact. energy: -1.869 local terms energy: -483.088158 where: bonds (distance) C4'-P energy: -161.079 bonds (distance) P-C4' energy: -152.870 flat angles C4'-P-C4' energy: -122.022 flat angles P-C4'-P energy: -79.796 tors. eta vs tors. theta energy: 32.678 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: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3166.107024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.107024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.107024 (E_RNA) where: Base-Base interactions energy: -2147.556 where: short stacking energy: -973.370 Base-Backbone interact. energy: -1.645 local terms energy: -1016.906029 where: bonds (distance) C4'-P energy: -182.475 bonds (distance) P-C4' energy: -192.363 flat angles C4'-P-C4' energy: -199.116 flat angles P-C4'-P energy: -145.915 tors. eta vs tors. theta energy: -297.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3059.901992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.901992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.901992 (E_RNA) where: Base-Base interactions energy: -2094.641 where: short stacking energy: -921.812 Base-Backbone interact. energy: -1.548 local terms energy: -963.713259 where: bonds (distance) C4'-P energy: -172.200 bonds (distance) P-C4' energy: -178.023 flat angles C4'-P-C4' energy: -214.941 flat angles P-C4'-P energy: -135.443 tors. eta vs tors. theta energy: -263.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2914.063085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.063085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.063085 (E_RNA) where: Base-Base interactions energy: -1977.826 where: short stacking energy: -897.758 Base-Backbone interact. energy: -0.013 local terms energy: -936.224472 where: bonds (distance) C4'-P energy: -172.974 bonds (distance) P-C4' energy: -180.563 flat angles C4'-P-C4' energy: -183.346 flat angles P-C4'-P energy: -139.752 tors. eta vs tors. theta energy: -259.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2786.132914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.132914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.132914 (E_RNA) where: Base-Base interactions energy: -1905.026 where: short stacking energy: -838.911 Base-Backbone interact. energy: -0.690 local terms energy: -880.416760 where: bonds (distance) C4'-P energy: -149.506 bonds (distance) P-C4' energy: -177.124 flat angles C4'-P-C4' energy: -182.034 flat angles P-C4'-P energy: -132.682 tors. eta vs tors. theta energy: -239.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2559.516127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.516127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.516127 (E_RNA) where: Base-Base interactions energy: -1718.382 where: short stacking energy: -786.366 Base-Backbone interact. energy: -1.548 local terms energy: -839.586127 where: bonds (distance) C4'-P energy: -159.246 bonds (distance) P-C4' energy: -159.908 flat angles C4'-P-C4' energy: -180.184 flat angles P-C4'-P energy: -127.649 tors. eta vs tors. theta energy: -212.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2477.194451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.194451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.194451 (E_RNA) where: Base-Base interactions energy: -1685.974 where: short stacking energy: -769.845 Base-Backbone interact. energy: 1.259 local terms energy: -792.479848 where: bonds (distance) C4'-P energy: -152.266 bonds (distance) P-C4' energy: -167.234 flat angles C4'-P-C4' energy: -158.898 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -217.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2016.942986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.942986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.942986 (E_RNA) where: Base-Base interactions energy: -1284.460 where: short stacking energy: -617.975 Base-Backbone interact. energy: -2.367 local terms energy: -730.116420 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -166.465 flat angles C4'-P-C4' energy: -165.346 flat angles P-C4'-P energy: -99.272 tors. eta vs tors. theta energy: -159.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1544.377931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.377931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.377931 (E_RNA) where: Base-Base interactions energy: -910.705 where: short stacking energy: -451.448 Base-Backbone interact. energy: 0.207 local terms energy: -633.880220 where: bonds (distance) C4'-P energy: -152.961 bonds (distance) P-C4' energy: -168.795 flat angles C4'-P-C4' energy: -149.860 flat angles P-C4'-P energy: -81.878 tors. eta vs tors. theta energy: -80.386 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: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1310.502781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.502781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.502781 (E_RNA) where: Base-Base interactions energy: -737.162 where: short stacking energy: -372.958 Base-Backbone interact. energy: 2.001 local terms energy: -575.342305 where: bonds (distance) C4'-P energy: -145.965 bonds (distance) P-C4' energy: -155.788 flat angles C4'-P-C4' energy: -151.341 flat angles P-C4'-P energy: -80.727 tors. eta vs tors. theta energy: -41.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -708.803359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.803359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.803359 (E_RNA) where: Base-Base interactions energy: -264.500 where: short stacking energy: -206.621 Base-Backbone interact. energy: 1.998 local terms energy: -446.300941 where: bonds (distance) C4'-P energy: -126.452 bonds (distance) P-C4' energy: -167.292 flat angles C4'-P-C4' energy: -109.310 flat angles P-C4'-P energy: -89.317 tors. eta vs tors. theta energy: 46.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3187.273252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.273252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.273252 (E_RNA) where: Base-Base interactions energy: -2164.839 where: short stacking energy: -985.270 Base-Backbone interact. energy: -2.999 local terms energy: -1019.434738 where: bonds (distance) C4'-P energy: -194.499 bonds (distance) P-C4' energy: -188.520 flat angles C4'-P-C4' energy: -204.025 flat angles P-C4'-P energy: -152.981 tors. eta vs tors. theta energy: -279.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3054.444657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.444657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.444657 (E_RNA) where: Base-Base interactions energy: -2100.756 where: short stacking energy: -919.822 Base-Backbone interact. energy: -2.753 local terms energy: -950.935720 where: bonds (distance) C4'-P energy: -167.364 bonds (distance) P-C4' energy: -181.780 flat angles C4'-P-C4' energy: -207.522 flat angles P-C4'-P energy: -126.053 tors. eta vs tors. theta energy: -268.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2906.602555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.602555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.602555 (E_RNA) where: Base-Base interactions energy: -1996.402 where: short stacking energy: -877.195 Base-Backbone interact. energy: -0.478 local terms energy: -909.723257 where: bonds (distance) C4'-P energy: -150.085 bonds (distance) P-C4' energy: -165.003 flat angles C4'-P-C4' energy: -192.020 flat angles P-C4'-P energy: -140.498 tors. eta vs tors. theta energy: -262.117 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: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2805.084522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.084522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.084522 (E_RNA) where: Base-Base interactions energy: -1888.451 where: short stacking energy: -849.819 Base-Backbone interact. energy: -0.670 local terms energy: -915.963604 where: bonds (distance) C4'-P energy: -163.683 bonds (distance) P-C4' energy: -184.982 flat angles C4'-P-C4' energy: -194.300 flat angles P-C4'-P energy: -121.938 tors. eta vs tors. theta energy: -251.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2612.788266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.788266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.788266 (E_RNA) where: Base-Base interactions energy: -1780.774 where: short stacking energy: -830.227 Base-Backbone interact. energy: 0.269 local terms energy: -832.283057 where: bonds (distance) C4'-P energy: -143.866 bonds (distance) P-C4' energy: -159.891 flat angles C4'-P-C4' energy: -178.406 flat angles P-C4'-P energy: -113.680 tors. eta vs tors. theta energy: -236.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2436.473929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.473929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.473929 (E_RNA) where: Base-Base interactions energy: -1625.863 where: short stacking energy: -764.415 Base-Backbone interact. energy: 3.649 local terms energy: -814.259622 where: bonds (distance) C4'-P energy: -162.596 bonds (distance) P-C4' energy: -177.517 flat angles C4'-P-C4' energy: -170.370 flat angles P-C4'-P energy: -93.699 tors. eta vs tors. theta energy: -210.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1996.595593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.595593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.595593 (E_RNA) where: Base-Base interactions energy: -1277.389 where: short stacking energy: -566.205 Base-Backbone interact. energy: 4.482 local terms energy: -723.688049 where: bonds (distance) C4'-P energy: -156.902 bonds (distance) P-C4' energy: -170.958 flat angles C4'-P-C4' energy: -169.085 flat angles P-C4'-P energy: -84.971 tors. eta vs tors. theta energy: -141.773 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: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1605.785545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.785545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.785545 (E_RNA) where: Base-Base interactions energy: -975.706 where: short stacking energy: -449.068 Base-Backbone interact. energy: -0.556 local terms energy: -629.523144 where: bonds (distance) C4'-P energy: -148.940 bonds (distance) P-C4' energy: -144.530 flat angles C4'-P-C4' energy: -156.947 flat angles P-C4'-P energy: -88.319 tors. eta vs tors. theta energy: -90.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1320.905195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.905195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.905195 (E_RNA) where: Base-Base interactions energy: -757.732 where: short stacking energy: -387.453 Base-Backbone interact. energy: -2.726 local terms energy: -560.446976 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -140.145 flat angles C4'-P-C4' energy: -145.699 flat angles P-C4'-P energy: -100.733 tors. eta vs tors. theta energy: -41.039 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: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -691.853025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.853025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.853025 (E_RNA) where: Base-Base interactions energy: -233.829 where: short stacking energy: -195.786 Base-Backbone interact. energy: 2.272 local terms energy: -460.296567 where: bonds (distance) C4'-P energy: -155.373 bonds (distance) P-C4' energy: -128.639 flat angles C4'-P-C4' energy: -121.677 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: 31.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3160.229453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.229453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.229453 (E_RNA) where: Base-Base interactions energy: -2151.509 where: short stacking energy: -989.311 Base-Backbone interact. energy: -2.147 local terms energy: -1006.573536 where: bonds (distance) C4'-P energy: -184.902 bonds (distance) P-C4' energy: -183.423 flat angles C4'-P-C4' energy: -209.616 flat angles P-C4'-P energy: -140.907 tors. eta vs tors. theta energy: -287.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3044.293313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.293313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.293313 (E_RNA) where: Base-Base interactions energy: -2089.559 where: short stacking energy: -906.671 Base-Backbone interact. energy: -4.887 local terms energy: -949.847473 where: bonds (distance) C4'-P energy: -163.930 bonds (distance) P-C4' energy: -187.184 flat angles C4'-P-C4' energy: -211.542 flat angles P-C4'-P energy: -124.916 tors. eta vs tors. theta energy: -262.276 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: 422 Temperature: 1.000000 Total energy: -2890.278529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.278529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.278529 (E_RNA) where: Base-Base interactions energy: -1937.020 where: short stacking energy: -898.582 Base-Backbone interact. energy: -0.140 local terms energy: -953.118251 where: bonds (distance) C4'-P energy: -162.338 bonds (distance) P-C4' energy: -191.003 flat angles C4'-P-C4' energy: -195.358 flat angles P-C4'-P energy: -139.253 tors. eta vs tors. theta energy: -265.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2762.614813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.614813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.614813 (E_RNA) where: Base-Base interactions energy: -1867.464 where: short stacking energy: -866.596 Base-Backbone interact. energy: -4.978 local terms energy: -890.172056 where: bonds (distance) C4'-P energy: -178.884 bonds (distance) P-C4' energy: -176.247 flat angles C4'-P-C4' energy: -201.551 flat angles P-C4'-P energy: -104.197 tors. eta vs tors. theta energy: -229.293 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: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2587.393995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.393995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.393995 (E_RNA) where: Base-Base interactions energy: -1716.691 where: short stacking energy: -780.850 Base-Backbone interact. energy: -0.508 local terms energy: -870.195255 where: bonds (distance) C4'-P energy: -166.925 bonds (distance) P-C4' energy: -168.764 flat angles C4'-P-C4' energy: -188.001 flat angles P-C4'-P energy: -131.787 tors. eta vs tors. theta energy: -214.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2535.293833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.293833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.293833 (E_RNA) where: Base-Base interactions energy: -1738.500 where: short stacking energy: -767.511 Base-Backbone interact. energy: -0.307 local terms energy: -796.486815 where: bonds (distance) C4'-P energy: -141.457 bonds (distance) P-C4' energy: -157.512 flat angles C4'-P-C4' energy: -176.046 flat angles P-C4'-P energy: -95.576 tors. eta vs tors. theta energy: -225.896 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: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1997.722552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.722552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.722552 (E_RNA) where: Base-Base interactions energy: -1280.664 where: short stacking energy: -576.078 Base-Backbone interact. energy: -2.149 local terms energy: -714.909415 where: bonds (distance) C4'-P energy: -159.329 bonds (distance) P-C4' energy: -146.423 flat angles C4'-P-C4' energy: -164.928 flat angles P-C4'-P energy: -106.156 tors. eta vs tors. theta energy: -138.072 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: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1578.766882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.766882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.766882 (E_RNA) where: Base-Base interactions energy: -958.029 where: short stacking energy: -494.855 Base-Backbone interact. energy: 0.553 local terms energy: -621.290811 where: bonds (distance) C4'-P energy: -140.167 bonds (distance) P-C4' energy: -150.054 flat angles C4'-P-C4' energy: -137.633 flat angles P-C4'-P energy: -95.559 tors. eta vs tors. theta energy: -97.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1286.129811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.129811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.129811 (E_RNA) where: Base-Base interactions energy: -717.446 where: short stacking energy: -347.766 Base-Backbone interact. energy: 8.407 local terms energy: -577.090880 where: bonds (distance) C4'-P energy: -154.551 bonds (distance) P-C4' energy: -156.685 flat angles C4'-P-C4' energy: -145.403 flat angles P-C4'-P energy: -84.617 tors. eta vs tors. theta energy: -35.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -704.689890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.689890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.689890 (E_RNA) where: Base-Base interactions energy: -261.075 where: short stacking energy: -195.956 Base-Backbone interact. energy: -3.870 local terms energy: -439.744690 where: bonds (distance) C4'-P energy: -137.361 bonds (distance) P-C4' energy: -161.738 flat angles C4'-P-C4' energy: -123.218 flat angles P-C4'-P energy: -70.214 tors. eta vs tors. theta energy: 52.786 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: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3175.344744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.344744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.344744 (E_RNA) where: Base-Base interactions energy: -2158.087 where: short stacking energy: -984.341 Base-Backbone interact. energy: -3.062 local terms energy: -1014.195399 where: bonds (distance) C4'-P energy: -193.105 bonds (distance) P-C4' energy: -173.440 flat angles C4'-P-C4' energy: -215.784 flat angles P-C4'-P energy: -138.890 tors. eta vs tors. theta energy: -292.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -3056.402242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.402242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.402242 (E_RNA) where: Base-Base interactions energy: -2083.328 where: short stacking energy: -935.602 Base-Backbone interact. energy: 4.262 local terms energy: -977.336802 where: bonds (distance) C4'-P energy: -173.732 bonds (distance) P-C4' energy: -184.970 flat angles C4'-P-C4' energy: -207.187 flat angles P-C4'-P energy: -145.134 tors. eta vs tors. theta energy: -266.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2935.677838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.677838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.677838 (E_RNA) where: Base-Base interactions energy: -1979.344 where: short stacking energy: -913.481 Base-Backbone interact. energy: -2.498 local terms energy: -953.835924 where: bonds (distance) C4'-P energy: -180.421 bonds (distance) P-C4' energy: -169.113 flat angles C4'-P-C4' energy: -196.350 flat angles P-C4'-P energy: -134.692 tors. eta vs tors. theta energy: -273.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2793.439832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.439832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.439832 (E_RNA) where: Base-Base interactions energy: -1891.638 where: short stacking energy: -852.261 Base-Backbone interact. energy: -0.451 local terms energy: -901.350500 where: bonds (distance) C4'-P energy: -143.014 bonds (distance) P-C4' energy: -176.347 flat angles C4'-P-C4' energy: -186.940 flat angles P-C4'-P energy: -134.574 tors. eta vs tors. theta energy: -260.476 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: 423 Temperature: 1.100000 Total energy: -2643.524451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.524451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.524451 (E_RNA) where: Base-Base interactions energy: -1777.462 where: short stacking energy: -744.703 Base-Backbone interact. energy: -1.729 local terms energy: -864.333419 where: bonds (distance) C4'-P energy: -158.575 bonds (distance) P-C4' energy: -173.866 flat angles C4'-P-C4' energy: -188.342 flat angles P-C4'-P energy: -127.292 tors. eta vs tors. theta energy: -216.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2449.656805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.656805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.656805 (E_RNA) where: Base-Base interactions energy: -1656.865 where: short stacking energy: -721.877 Base-Backbone interact. energy: -1.942 local terms energy: -790.850023 where: bonds (distance) C4'-P energy: -180.151 bonds (distance) P-C4' energy: -153.749 flat angles C4'-P-C4' energy: -160.800 flat angles P-C4'-P energy: -114.734 tors. eta vs tors. theta energy: -181.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2020.770912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.770912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.770912 (E_RNA) where: Base-Base interactions energy: -1295.478 where: short stacking energy: -572.960 Base-Backbone interact. energy: 4.879 local terms energy: -730.172177 where: bonds (distance) C4'-P energy: -143.904 bonds (distance) P-C4' energy: -163.304 flat angles C4'-P-C4' energy: -169.439 flat angles P-C4'-P energy: -96.251 tors. eta vs tors. theta energy: -157.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1575.272192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.272192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.272192 (E_RNA) where: Base-Base interactions energy: -941.817 where: short stacking energy: -447.559 Base-Backbone interact. energy: -2.505 local terms energy: -630.949839 where: bonds (distance) C4'-P energy: -152.681 bonds (distance) P-C4' energy: -158.294 flat angles C4'-P-C4' energy: -132.205 flat angles P-C4'-P energy: -93.382 tors. eta vs tors. theta energy: -94.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1322.309091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.309091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.309091 (E_RNA) where: Base-Base interactions energy: -752.632 where: short stacking energy: -386.819 Base-Backbone interact. energy: 2.301 local terms energy: -571.977661 where: bonds (distance) C4'-P energy: -148.338 bonds (distance) P-C4' energy: -132.176 flat angles C4'-P-C4' energy: -153.403 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -50.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -668.059059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.059059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.059059 (E_RNA) where: Base-Base interactions energy: -211.594 where: short stacking energy: -187.058 Base-Backbone interact. energy: 2.188 local terms energy: -458.653601 where: bonds (distance) C4'-P energy: -149.527 bonds (distance) P-C4' energy: -153.318 flat angles C4'-P-C4' energy: -115.365 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: 30.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3194.236895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.236895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.236895 (E_RNA) where: Base-Base interactions energy: -2150.360 where: short stacking energy: -987.148 Base-Backbone interact. energy: -5.823 local terms energy: -1038.053796 where: bonds (distance) C4'-P energy: -162.463 bonds (distance) P-C4' energy: -207.058 flat angles C4'-P-C4' energy: -219.721 flat angles P-C4'-P energy: -144.924 tors. eta vs tors. theta energy: -303.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3041.767076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.767076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.767076 (E_RNA) where: Base-Base interactions energy: -2084.438 where: short stacking energy: -897.324 Base-Backbone interact. energy: 1.958 local terms energy: -959.286567 where: bonds (distance) C4'-P energy: -176.774 bonds (distance) P-C4' energy: -172.346 flat angles C4'-P-C4' energy: -199.840 flat angles P-C4'-P energy: -147.881 tors. eta vs tors. theta energy: -262.445 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: 424 Temperature: 1.000000 Total energy: -2925.304087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.304087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.304087 (E_RNA) where: Base-Base interactions energy: -1995.815 where: short stacking energy: -932.242 Base-Backbone interact. energy: -4.302 local terms energy: -925.187699 where: bonds (distance) C4'-P energy: -163.120 bonds (distance) P-C4' energy: -152.619 flat angles C4'-P-C4' energy: -207.326 flat angles P-C4'-P energy: -133.477 tors. eta vs tors. theta energy: -268.646 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: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2801.306760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.306760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.306760 (E_RNA) where: Base-Base interactions energy: -1903.586 where: short stacking energy: -857.575 Base-Backbone interact. energy: 1.197 local terms energy: -898.917999 where: bonds (distance) C4'-P energy: -156.396 bonds (distance) P-C4' energy: -163.251 flat angles C4'-P-C4' energy: -209.204 flat angles P-C4'-P energy: -123.751 tors. eta vs tors. theta energy: -246.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2596.596369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.596369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.596369 (E_RNA) where: Base-Base interactions energy: -1762.911 where: short stacking energy: -784.415 Base-Backbone interact. energy: 3.929 local terms energy: -837.613812 where: bonds (distance) C4'-P energy: -179.716 bonds (distance) P-C4' energy: -147.096 flat angles C4'-P-C4' energy: -179.858 flat angles P-C4'-P energy: -111.520 tors. eta vs tors. theta energy: -219.424 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: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2445.840772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.840772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.840772 (E_RNA) where: Base-Base interactions energy: -1627.809 where: short stacking energy: -743.193 Base-Backbone interact. energy: 1.692 local terms energy: -819.723508 where: bonds (distance) C4'-P energy: -162.266 bonds (distance) P-C4' energy: -154.241 flat angles C4'-P-C4' energy: -181.991 flat angles P-C4'-P energy: -107.937 tors. eta vs tors. theta energy: -213.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1957.308512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.308512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.308512 (E_RNA) where: Base-Base interactions energy: -1263.758 where: short stacking energy: -572.860 Base-Backbone interact. energy: -0.580 local terms energy: -692.970993 where: bonds (distance) C4'-P energy: -154.774 bonds (distance) P-C4' energy: -143.686 flat angles C4'-P-C4' energy: -158.958 flat angles P-C4'-P energy: -106.982 tors. eta vs tors. theta energy: -128.570 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: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1548.989527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.989527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.989527 (E_RNA) where: Base-Base interactions energy: -918.838 where: short stacking energy: -407.350 Base-Backbone interact. energy: -2.679 local terms energy: -627.472698 where: bonds (distance) C4'-P energy: -155.314 bonds (distance) P-C4' energy: -167.811 flat angles C4'-P-C4' energy: -147.241 flat angles P-C4'-P energy: -89.155 tors. eta vs tors. theta energy: -67.951 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: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1245.219819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.219819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.219819 (E_RNA) where: Base-Base interactions energy: -719.616 where: short stacking energy: -376.851 Base-Backbone interact. energy: -2.231 local terms energy: -523.372805 where: bonds (distance) C4'-P energy: -151.443 bonds (distance) P-C4' energy: -146.522 flat angles C4'-P-C4' energy: -127.251 flat angles P-C4'-P energy: -62.519 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: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -689.217752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.217752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.217752 (E_RNA) where: Base-Base interactions energy: -247.409 where: short stacking energy: -204.823 Base-Backbone interact. energy: 3.233 local terms energy: -445.041067 where: bonds (distance) C4'-P energy: -133.472 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -123.120 flat angles P-C4'-P energy: -77.098 tors. eta vs tors. theta energy: 28.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3151.722782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.722782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.722782 (E_RNA) where: Base-Base interactions energy: -2119.697 where: short stacking energy: -983.174 Base-Backbone interact. energy: -0.235 local terms energy: -1031.790610 where: bonds (distance) C4'-P energy: -193.282 bonds (distance) P-C4' energy: -170.939 flat angles C4'-P-C4' energy: -211.481 flat angles P-C4'-P energy: -157.439 tors. eta vs tors. theta energy: -298.650 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: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3057.304528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.304528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.304528 (E_RNA) where: Base-Base interactions energy: -2113.365 where: short stacking energy: -927.797 Base-Backbone interact. energy: -3.450 local terms energy: -940.489849 where: bonds (distance) C4'-P energy: -165.776 bonds (distance) P-C4' energy: -185.655 flat angles C4'-P-C4' energy: -198.013 flat angles P-C4'-P energy: -124.637 tors. eta vs tors. theta energy: -266.408 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: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2920.711553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.711553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.711553 (E_RNA) where: Base-Base interactions energy: -1975.975 where: short stacking energy: -903.707 Base-Backbone interact. energy: -2.168 local terms energy: -942.568633 where: bonds (distance) C4'-P energy: -162.947 bonds (distance) P-C4' energy: -163.732 flat angles C4'-P-C4' energy: -203.476 flat angles P-C4'-P energy: -146.594 tors. eta vs tors. theta energy: -265.820 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: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2777.556294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.556294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.556294 (E_RNA) where: Base-Base interactions energy: -1922.365 where: short stacking energy: -835.435 Base-Backbone interact. energy: -1.012 local terms energy: -854.178520 where: bonds (distance) C4'-P energy: -159.194 bonds (distance) P-C4' energy: -160.080 flat angles C4'-P-C4' energy: -181.014 flat angles P-C4'-P energy: -123.135 tors. eta vs tors. theta energy: -230.755 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: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2621.475373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.475373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.475373 (E_RNA) where: Base-Base interactions energy: -1783.209 where: short stacking energy: -805.982 Base-Backbone interact. energy: -3.354 local terms energy: -834.911751 where: bonds (distance) C4'-P energy: -157.615 bonds (distance) P-C4' energy: -156.057 flat angles C4'-P-C4' energy: -176.638 flat angles P-C4'-P energy: -121.443 tors. eta vs tors. theta energy: -223.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2506.016339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.016339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.016339 (E_RNA) where: Base-Base interactions energy: -1669.159 where: short stacking energy: -753.268 Base-Backbone interact. energy: 0.351 local terms energy: -837.208355 where: bonds (distance) C4'-P energy: -165.597 bonds (distance) P-C4' energy: -183.029 flat angles C4'-P-C4' energy: -173.781 flat angles P-C4'-P energy: -102.092 tors. eta vs tors. theta energy: -212.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1950.613253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.613253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.613253 (E_RNA) where: Base-Base interactions energy: -1259.931 where: short stacking energy: -572.368 Base-Backbone interact. energy: -4.455 local terms energy: -686.228069 where: bonds (distance) C4'-P energy: -137.388 bonds (distance) P-C4' energy: -168.862 flat angles C4'-P-C4' energy: -171.023 flat angles P-C4'-P energy: -84.252 tors. eta vs tors. theta energy: -124.704 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: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1507.215530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.215530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.215530 (E_RNA) where: Base-Base interactions energy: -859.754 where: short stacking energy: -425.692 Base-Backbone interact. energy: -1.768 local terms energy: -645.693769 where: bonds (distance) C4'-P energy: -150.984 bonds (distance) P-C4' energy: -156.462 flat angles C4'-P-C4' energy: -182.776 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -74.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1222.973386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.973386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.973386 (E_RNA) where: Base-Base interactions energy: -673.793 where: short stacking energy: -345.338 Base-Backbone interact. energy: -0.847 local terms energy: -548.333402 where: bonds (distance) C4'-P energy: -135.898 bonds (distance) P-C4' energy: -148.393 flat angles C4'-P-C4' energy: -115.645 flat angles P-C4'-P energy: -94.826 tors. eta vs tors. theta energy: -53.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -689.841649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.841649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.841649 (E_RNA) where: Base-Base interactions energy: -266.610 where: short stacking energy: -168.351 Base-Backbone interact. energy: 1.360 local terms energy: -424.591598 where: bonds (distance) C4'-P energy: -135.873 bonds (distance) P-C4' energy: -153.802 flat angles C4'-P-C4' energy: -127.248 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: 54.335 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: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3162.235591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.235591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.235591 (E_RNA) where: Base-Base interactions energy: -2109.478 where: short stacking energy: -995.536 Base-Backbone interact. energy: -3.031 local terms energy: -1049.726049 where: bonds (distance) C4'-P energy: -192.226 bonds (distance) P-C4' energy: -190.781 flat angles C4'-P-C4' energy: -219.070 flat angles P-C4'-P energy: -147.321 tors. eta vs tors. theta energy: -300.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3080.600399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.600399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.600399 (E_RNA) where: Base-Base interactions energy: -2093.506 where: short stacking energy: -925.515 Base-Backbone interact. energy: -3.178 local terms energy: -983.916446 where: bonds (distance) C4'-P energy: -172.202 bonds (distance) P-C4' energy: -178.524 flat angles C4'-P-C4' energy: -208.517 flat angles P-C4'-P energy: -144.954 tors. eta vs tors. theta energy: -279.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2944.116560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.116560 (E_RNA) where: Base-Base interactions energy: -1975.852 where: short stacking energy: -929.128 Base-Backbone interact. energy: -3.368 local terms energy: -964.897325 where: bonds (distance) C4'-P energy: -150.629 bonds (distance) P-C4' energy: -190.834 flat angles C4'-P-C4' energy: -203.294 flat angles P-C4'-P energy: -143.191 tors. eta vs tors. theta energy: -276.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2790.977775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.977775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.977775 (E_RNA) where: Base-Base interactions energy: -1897.667 where: short stacking energy: -867.837 Base-Backbone interact. energy: 6.816 local terms energy: -900.126265 where: bonds (distance) C4'-P energy: -166.565 bonds (distance) P-C4' energy: -144.970 flat angles C4'-P-C4' energy: -198.340 flat angles P-C4'-P energy: -140.450 tors. eta vs tors. theta energy: -249.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2549.565887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.565887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.565887 (E_RNA) where: Base-Base interactions energy: -1708.584 where: short stacking energy: -768.403 Base-Backbone interact. energy: -3.215 local terms energy: -837.766314 where: bonds (distance) C4'-P energy: -168.345 bonds (distance) P-C4' energy: -159.987 flat angles C4'-P-C4' energy: -187.619 flat angles P-C4'-P energy: -106.470 tors. eta vs tors. theta energy: -215.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2506.034912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.034912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.034912 (E_RNA) where: Base-Base interactions energy: -1695.226 where: short stacking energy: -770.002 Base-Backbone interact. energy: 1.560 local terms energy: -812.369381 where: bonds (distance) C4'-P energy: -151.857 bonds (distance) P-C4' energy: -174.724 flat angles C4'-P-C4' energy: -182.992 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -216.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1953.865764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.865764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.865764 (E_RNA) where: Base-Base interactions energy: -1239.525 where: short stacking energy: -586.082 Base-Backbone interact. energy: 0.577 local terms energy: -714.917818 where: bonds (distance) C4'-P energy: -151.480 bonds (distance) P-C4' energy: -154.933 flat angles C4'-P-C4' energy: -163.777 flat angles P-C4'-P energy: -93.542 tors. eta vs tors. theta energy: -151.186 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: 426 Temperature: 1.250000 Total energy: -1557.283884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.283884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.283884 (E_RNA) where: Base-Base interactions energy: -898.671 where: short stacking energy: -451.387 Base-Backbone interact. energy: 2.216 local terms energy: -660.829035 where: bonds (distance) C4'-P energy: -135.245 bonds (distance) P-C4' energy: -158.111 flat angles C4'-P-C4' energy: -175.509 flat angles P-C4'-P energy: -91.236 tors. eta vs tors. theta energy: -100.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1249.851358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.851358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.851358 (E_RNA) where: Base-Base interactions energy: -693.569 where: short stacking energy: -331.967 Base-Backbone interact. energy: -2.794 local terms energy: -553.488876 where: bonds (distance) C4'-P energy: -163.301 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -138.874 flat angles P-C4'-P energy: -82.537 tors. eta vs tors. theta energy: -31.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -736.226504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.226504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.226504 (E_RNA) where: Base-Base interactions energy: -273.681 where: short stacking energy: -189.178 Base-Backbone interact. energy: -0.383 local terms energy: -462.162588 where: bonds (distance) C4'-P energy: -159.083 bonds (distance) P-C4' energy: -162.912 flat angles C4'-P-C4' energy: -125.615 flat angles P-C4'-P energy: -79.967 tors. eta vs tors. theta energy: 65.415 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: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3172.170092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.170092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.170092 (E_RNA) where: Base-Base interactions energy: -2126.979 where: short stacking energy: -969.912 Base-Backbone interact. energy: -1.499 local terms energy: -1043.692590 where: bonds (distance) C4'-P energy: -191.883 bonds (distance) P-C4' energy: -188.367 flat angles C4'-P-C4' energy: -223.181 flat angles P-C4'-P energy: -145.183 tors. eta vs tors. theta energy: -295.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3077.697632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.697632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.697632 (E_RNA) where: Base-Base interactions energy: -2114.516 where: short stacking energy: -931.447 Base-Backbone interact. energy: -2.813 local terms energy: -960.368577 where: bonds (distance) C4'-P energy: -171.559 bonds (distance) P-C4' energy: -181.621 flat angles C4'-P-C4' energy: -206.206 flat angles P-C4'-P energy: -135.194 tors. eta vs tors. theta energy: -265.789 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: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2923.050594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.050594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.050594 (E_RNA) where: Base-Base interactions energy: -1959.357 where: short stacking energy: -906.933 Base-Backbone interact. energy: -2.312 local terms energy: -961.381873 where: bonds (distance) C4'-P energy: -177.208 bonds (distance) P-C4' energy: -182.867 flat angles C4'-P-C4' energy: -209.171 flat angles P-C4'-P energy: -140.311 tors. eta vs tors. theta energy: -251.825 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: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2771.511459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.511459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.511459 (E_RNA) where: Base-Base interactions energy: -1871.922 where: short stacking energy: -851.326 Base-Backbone interact. energy: 1.922 local terms energy: -901.511489 where: bonds (distance) C4'-P energy: -154.312 bonds (distance) P-C4' energy: -191.122 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -121.416 tors. eta vs tors. theta energy: -253.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2570.052025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.052025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.052025 (E_RNA) where: Base-Base interactions energy: -1714.948 where: short stacking energy: -754.650 Base-Backbone interact. energy: 0.701 local terms energy: -855.804324 where: bonds (distance) C4'-P energy: -160.716 bonds (distance) P-C4' energy: -168.153 flat angles C4'-P-C4' energy: -182.804 flat angles P-C4'-P energy: -125.350 tors. eta vs tors. theta energy: -218.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2582.432521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.432521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.432521 (E_RNA) where: Base-Base interactions energy: -1721.579 where: short stacking energy: -757.617 Base-Backbone interact. energy: -2.213 local terms energy: -858.640493 where: bonds (distance) C4'-P energy: -168.788 bonds (distance) P-C4' energy: -166.142 flat angles C4'-P-C4' energy: -194.711 flat angles P-C4'-P energy: -114.075 tors. eta vs tors. theta energy: -214.924 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: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1948.453225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.453225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.453225 (E_RNA) where: Base-Base interactions energy: -1238.551 where: short stacking energy: -581.058 Base-Backbone interact. energy: -6.361 local terms energy: -703.541229 where: bonds (distance) C4'-P energy: -156.713 bonds (distance) P-C4' energy: -156.089 flat angles C4'-P-C4' energy: -161.015 flat angles P-C4'-P energy: -107.637 tors. eta vs tors. theta energy: -122.087 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: 427 Temperature: 1.250000 Total energy: -1501.784218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.784218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.784218 (E_RNA) where: Base-Base interactions energy: -867.375 where: short stacking energy: -435.910 Base-Backbone interact. energy: -2.019 local terms energy: -632.389653 where: bonds (distance) C4'-P energy: -142.547 bonds (distance) P-C4' energy: -154.563 flat angles C4'-P-C4' energy: -149.732 flat angles P-C4'-P energy: -95.956 tors. eta vs tors. theta energy: -89.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1273.540874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.540874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.540874 (E_RNA) where: Base-Base interactions energy: -764.267 where: short stacking energy: -375.715 Base-Backbone interact. energy: 2.402 local terms energy: -511.675511 where: bonds (distance) C4'-P energy: -110.708 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -149.416 flat angles P-C4'-P energy: -63.536 tors. eta vs tors. theta energy: -36.911 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: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -710.608907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.608907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.608907 (E_RNA) where: Base-Base interactions energy: -272.521 where: short stacking energy: -174.493 Base-Backbone interact. energy: -0.923 local terms energy: -437.165480 where: bonds (distance) C4'-P energy: -118.276 bonds (distance) P-C4' energy: -138.171 flat angles C4'-P-C4' energy: -133.378 flat angles P-C4'-P energy: -87.868 tors. eta vs tors. theta energy: 40.527 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: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3154.073783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.073783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.073783 (E_RNA) where: Base-Base interactions energy: -2151.184 where: short stacking energy: -990.974 Base-Backbone interact. energy: -0.064 local terms energy: -1002.825044 where: bonds (distance) C4'-P energy: -175.195 bonds (distance) P-C4' energy: -186.314 flat angles C4'-P-C4' energy: -202.408 flat angles P-C4'-P energy: -137.059 tors. eta vs tors. theta energy: -301.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3097.609060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.609060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.609060 (E_RNA) where: Base-Base interactions energy: -2124.396 where: short stacking energy: -945.035 Base-Backbone interact. energy: -2.316 local terms energy: -970.896925 where: bonds (distance) C4'-P energy: -184.596 bonds (distance) P-C4' energy: -182.125 flat angles C4'-P-C4' energy: -198.669 flat angles P-C4'-P energy: -128.873 tors. eta vs tors. theta energy: -276.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2898.257195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.257195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.257195 (E_RNA) where: Base-Base interactions energy: -1971.327 where: short stacking energy: -895.602 Base-Backbone interact. energy: -1.726 local terms energy: -925.204291 where: bonds (distance) C4'-P energy: -147.835 bonds (distance) P-C4' energy: -178.278 flat angles C4'-P-C4' energy: -201.284 flat angles P-C4'-P energy: -135.932 tors. eta vs tors. theta energy: -261.876 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: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2823.538555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.538555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.538555 (E_RNA) where: Base-Base interactions energy: -1901.253 where: short stacking energy: -854.527 Base-Backbone interact. energy: -4.983 local terms energy: -917.302017 where: bonds (distance) C4'-P energy: -167.831 bonds (distance) P-C4' energy: -163.602 flat angles C4'-P-C4' energy: -204.129 flat angles P-C4'-P energy: -125.017 tors. eta vs tors. theta energy: -256.723 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2528.536139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.536139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.536139 (E_RNA) where: Base-Base interactions energy: -1691.483 where: short stacking energy: -768.584 Base-Backbone interact. energy: 1.961 local terms energy: -839.014151 where: bonds (distance) C4'-P energy: -163.335 bonds (distance) P-C4' energy: -172.069 flat angles C4'-P-C4' energy: -181.939 flat angles P-C4'-P energy: -104.898 tors. eta vs tors. theta energy: -216.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2499.037516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.037516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.037516 (E_RNA) where: Base-Base interactions energy: -1690.509 where: short stacking energy: -745.050 Base-Backbone interact. energy: -4.836 local terms energy: -803.691995 where: bonds (distance) C4'-P energy: -163.846 bonds (distance) P-C4' energy: -150.667 flat angles C4'-P-C4' energy: -178.725 flat angles P-C4'-P energy: -111.996 tors. eta vs tors. theta energy: -198.458 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: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1975.399868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.399868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.399868 (E_RNA) where: Base-Base interactions energy: -1257.636 where: short stacking energy: -579.354 Base-Backbone interact. energy: -1.496 local terms energy: -716.268407 where: bonds (distance) C4'-P energy: -149.124 bonds (distance) P-C4' energy: -164.956 flat angles C4'-P-C4' energy: -162.840 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -134.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1543.119244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.119244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.119244 (E_RNA) where: Base-Base interactions energy: -901.609 where: short stacking energy: -441.899 Base-Backbone interact. energy: -2.009 local terms energy: -639.500846 where: bonds (distance) C4'-P energy: -157.866 bonds (distance) P-C4' energy: -161.676 flat angles C4'-P-C4' energy: -127.763 flat angles P-C4'-P energy: -109.553 tors. eta vs tors. theta energy: -82.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1336.583530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.583530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.583530 (E_RNA) where: Base-Base interactions energy: -748.998 where: short stacking energy: -372.214 Base-Backbone interact. energy: -1.858 local terms energy: -585.727554 where: bonds (distance) C4'-P energy: -142.526 bonds (distance) P-C4' energy: -158.157 flat angles C4'-P-C4' energy: -154.945 flat angles P-C4'-P energy: -88.868 tors. eta vs tors. theta energy: -41.231 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: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -664.750734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.750734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.750734 (E_RNA) where: Base-Base interactions energy: -196.119 where: short stacking energy: -170.615 Base-Backbone interact. energy: -0.997 local terms energy: -467.634827 where: bonds (distance) C4'-P energy: -132.036 bonds (distance) P-C4' energy: -167.432 flat angles C4'-P-C4' energy: -139.315 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: 35.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3142.851309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.851309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.851309 (E_RNA) where: Base-Base interactions energy: -2139.837 where: short stacking energy: -976.883 Base-Backbone interact. energy: -0.647 local terms energy: -1002.367268 where: bonds (distance) C4'-P energy: -180.799 bonds (distance) P-C4' energy: -170.294 flat angles C4'-P-C4' energy: -214.056 flat angles P-C4'-P energy: -142.576 tors. eta vs tors. theta energy: -294.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3105.819439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.819439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.819439 (E_RNA) where: Base-Base interactions energy: -2131.570 where: short stacking energy: -937.671 Base-Backbone interact. energy: -2.807 local terms energy: -971.442703 where: bonds (distance) C4'-P energy: -177.234 bonds (distance) P-C4' energy: -180.052 flat angles C4'-P-C4' energy: -197.132 flat angles P-C4'-P energy: -148.007 tors. eta vs tors. theta energy: -269.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2912.220476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.220476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.220476 (E_RNA) where: Base-Base interactions energy: -1977.386 where: short stacking energy: -892.124 Base-Backbone interact. energy: -1.353 local terms energy: -933.481282 where: bonds (distance) C4'-P energy: -177.682 bonds (distance) P-C4' energy: -171.599 flat angles C4'-P-C4' energy: -197.854 flat angles P-C4'-P energy: -122.038 tors. eta vs tors. theta energy: -264.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2827.398350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.398350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.398350 (E_RNA) where: Base-Base interactions energy: -1923.913 where: short stacking energy: -880.778 Base-Backbone interact. energy: -4.792 local terms energy: -898.693045 where: bonds (distance) C4'-P energy: -151.219 bonds (distance) P-C4' energy: -172.527 flat angles C4'-P-C4' energy: -186.561 flat angles P-C4'-P energy: -130.274 tors. eta vs tors. theta energy: -258.112 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: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2589.930970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.930970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.930970 (E_RNA) where: Base-Base interactions energy: -1736.212 where: short stacking energy: -817.027 Base-Backbone interact. energy: -2.010 local terms energy: -851.708888 where: bonds (distance) C4'-P energy: -143.687 bonds (distance) P-C4' energy: -167.122 flat angles C4'-P-C4' energy: -197.584 flat angles P-C4'-P energy: -117.772 tors. eta vs tors. theta energy: -225.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2476.929882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.929882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.929882 (E_RNA) where: Base-Base interactions energy: -1667.755 where: short stacking energy: -732.293 Base-Backbone interact. energy: -3.371 local terms energy: -805.803829 where: bonds (distance) C4'-P energy: -171.712 bonds (distance) P-C4' energy: -147.022 flat angles C4'-P-C4' energy: -173.704 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -194.927 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: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1982.233302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.233302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.233302 (E_RNA) where: Base-Base interactions energy: -1301.237 where: short stacking energy: -599.787 Base-Backbone interact. energy: 0.006 local terms energy: -681.002814 where: bonds (distance) C4'-P energy: -150.942 bonds (distance) P-C4' energy: -143.208 flat angles C4'-P-C4' energy: -161.828 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -146.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1593.218353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.218353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.218353 (E_RNA) where: Base-Base interactions energy: -952.507 where: short stacking energy: -463.076 Base-Backbone interact. energy: 3.764 local terms energy: -644.475574 where: bonds (distance) C4'-P energy: -136.071 bonds (distance) P-C4' energy: -163.743 flat angles C4'-P-C4' energy: -158.356 flat angles P-C4'-P energy: -97.421 tors. eta vs tors. theta energy: -88.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1256.799405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.799405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.799405 (E_RNA) where: Base-Base interactions energy: -718.447 where: short stacking energy: -356.149 Base-Backbone interact. energy: -0.120 local terms energy: -538.232044 where: bonds (distance) C4'-P energy: -145.698 bonds (distance) P-C4' energy: -142.782 flat angles C4'-P-C4' energy: -140.248 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -32.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -673.796081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.796081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.796081 (E_RNA) where: Base-Base interactions energy: -248.706 where: short stacking energy: -209.789 Base-Backbone interact. energy: 6.374 local terms energy: -431.463793 where: bonds (distance) C4'-P energy: -152.859 bonds (distance) P-C4' energy: -151.646 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: 44.741 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: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3141.925457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.925457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.925457 (E_RNA) where: Base-Base interactions energy: -2100.652 where: short stacking energy: -981.855 Base-Backbone interact. energy: -1.805 local terms energy: -1039.467664 where: bonds (distance) C4'-P energy: -185.660 bonds (distance) P-C4' energy: -176.376 flat angles C4'-P-C4' energy: -224.263 flat angles P-C4'-P energy: -157.719 tors. eta vs tors. theta energy: -295.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3069.654764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.654764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.654764 (E_RNA) where: Base-Base interactions energy: -2133.222 where: short stacking energy: -927.583 Base-Backbone interact. energy: -3.658 local terms energy: -932.774084 where: bonds (distance) C4'-P energy: -164.802 bonds (distance) P-C4' energy: -172.513 flat angles C4'-P-C4' energy: -207.337 flat angles P-C4'-P energy: -127.796 tors. eta vs tors. theta energy: -260.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2908.329097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.329097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.329097 (E_RNA) where: Base-Base interactions energy: -1972.062 where: short stacking energy: -883.312 Base-Backbone interact. energy: -4.757 local terms energy: -931.510109 where: bonds (distance) C4'-P energy: -171.721 bonds (distance) P-C4' energy: -173.638 flat angles C4'-P-C4' energy: -203.067 flat angles P-C4'-P energy: -127.007 tors. eta vs tors. theta energy: -256.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2861.203327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.203327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.203327 (E_RNA) where: Base-Base interactions energy: -1953.521 where: short stacking energy: -854.587 Base-Backbone interact. energy: -2.829 local terms energy: -904.853058 where: bonds (distance) C4'-P energy: -158.557 bonds (distance) P-C4' energy: -164.360 flat angles C4'-P-C4' energy: -198.585 flat angles P-C4'-P energy: -131.885 tors. eta vs tors. theta energy: -251.466 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: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2615.073711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.073711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.073711 (E_RNA) where: Base-Base interactions energy: -1741.937 where: short stacking energy: -772.849 Base-Backbone interact. energy: 4.711 local terms energy: -877.848055 where: bonds (distance) C4'-P energy: -164.485 bonds (distance) P-C4' energy: -181.910 flat angles C4'-P-C4' energy: -201.726 flat angles P-C4'-P energy: -117.531 tors. eta vs tors. theta energy: -212.195 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: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2459.602525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.602525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.602525 (E_RNA) where: Base-Base interactions energy: -1650.085 where: short stacking energy: -726.204 Base-Backbone interact. energy: 3.333 local terms energy: -812.850040 where: bonds (distance) C4'-P energy: -164.541 bonds (distance) P-C4' energy: -165.357 flat angles C4'-P-C4' energy: -170.353 flat angles P-C4'-P energy: -115.480 tors. eta vs tors. theta energy: -197.119 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: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1996.913768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.913768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.913768 (E_RNA) where: Base-Base interactions energy: -1238.678 where: short stacking energy: -575.040 Base-Backbone interact. energy: -5.182 local terms energy: -753.054333 where: bonds (distance) C4'-P energy: -148.799 bonds (distance) P-C4' energy: -171.902 flat angles C4'-P-C4' energy: -166.956 flat angles P-C4'-P energy: -107.777 tors. eta vs tors. theta energy: -157.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1573.159036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.159036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.159036 (E_RNA) where: Base-Base interactions energy: -950.092 where: short stacking energy: -445.558 Base-Backbone interact. energy: -0.862 local terms energy: -622.204936 where: bonds (distance) C4'-P energy: -163.979 bonds (distance) P-C4' energy: -135.667 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -70.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1363.651732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.651732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.651732 (E_RNA) where: Base-Base interactions energy: -842.735 where: short stacking energy: -407.905 Base-Backbone interact. energy: -0.396 local terms energy: -520.521093 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -151.489 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -33.547 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: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -717.453100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.453100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.453100 (E_RNA) where: Base-Base interactions energy: -287.832 where: short stacking energy: -205.271 Base-Backbone interact. energy: -1.108 local terms energy: -428.512925 where: bonds (distance) C4'-P energy: -135.128 bonds (distance) P-C4' energy: -143.391 flat angles C4'-P-C4' energy: -116.803 flat angles P-C4'-P energy: -66.668 tors. eta vs tors. theta energy: 33.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3139.826197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.826197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.826197 (E_RNA) where: Base-Base interactions energy: -2118.933 where: short stacking energy: -991.706 Base-Backbone interact. energy: -2.911 local terms energy: -1017.982566 where: bonds (distance) C4'-P energy: -182.179 bonds (distance) P-C4' energy: -175.758 flat angles C4'-P-C4' energy: -217.951 flat angles P-C4'-P energy: -152.689 tors. eta vs tors. theta energy: -289.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3066.114821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.114821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.114821 (E_RNA) where: Base-Base interactions energy: -2104.601 where: short stacking energy: -950.514 Base-Backbone interact. energy: -1.270 local terms energy: -960.243799 where: bonds (distance) C4'-P energy: -173.620 bonds (distance) P-C4' energy: -190.114 flat angles C4'-P-C4' energy: -194.172 flat angles P-C4'-P energy: -126.313 tors. eta vs tors. theta energy: -276.024 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: 431 Temperature: 1.000000 Total energy: -2925.940496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.940496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.940496 (E_RNA) where: Base-Base interactions energy: -1974.782 where: short stacking energy: -922.571 Base-Backbone interact. energy: -1.584 local terms energy: -949.574601 where: bonds (distance) C4'-P energy: -168.126 bonds (distance) P-C4' energy: -168.105 flat angles C4'-P-C4' energy: -206.464 flat angles P-C4'-P energy: -132.736 tors. eta vs tors. theta energy: -274.144 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: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2831.786085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.786085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.786085 (E_RNA) where: Base-Base interactions energy: -1920.917 where: short stacking energy: -860.497 Base-Backbone interact. energy: 2.271 local terms energy: -913.140263 where: bonds (distance) C4'-P energy: -159.257 bonds (distance) P-C4' energy: -168.298 flat angles C4'-P-C4' energy: -196.979 flat angles P-C4'-P energy: -140.406 tors. eta vs tors. theta energy: -248.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2591.295035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.295035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.295035 (E_RNA) where: Base-Base interactions energy: -1713.620 where: short stacking energy: -767.150 Base-Backbone interact. energy: -1.122 local terms energy: -876.553087 where: bonds (distance) C4'-P energy: -165.954 bonds (distance) P-C4' energy: -177.226 flat angles C4'-P-C4' energy: -192.379 flat angles P-C4'-P energy: -120.651 tors. eta vs tors. theta energy: -220.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2451.790237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.790237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.790237 (E_RNA) where: Base-Base interactions energy: -1660.218 where: short stacking energy: -719.289 Base-Backbone interact. energy: -2.535 local terms energy: -789.036984 where: bonds (distance) C4'-P energy: -171.450 bonds (distance) P-C4' energy: -153.467 flat angles C4'-P-C4' energy: -169.804 flat angles P-C4'-P energy: -112.375 tors. eta vs tors. theta energy: -181.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2024.071444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.071444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.071444 (E_RNA) where: Base-Base interactions energy: -1259.573 where: short stacking energy: -566.321 Base-Backbone interact. energy: 5.738 local terms energy: -770.237113 where: bonds (distance) C4'-P energy: -165.079 bonds (distance) P-C4' energy: -176.981 flat angles C4'-P-C4' energy: -175.671 flat angles P-C4'-P energy: -107.889 tors. eta vs tors. theta energy: -144.617 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: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1600.366801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.366801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.366801 (E_RNA) where: Base-Base interactions energy: -978.825 where: short stacking energy: -456.495 Base-Backbone interact. energy: -0.518 local terms energy: -621.023167 where: bonds (distance) C4'-P energy: -139.723 bonds (distance) P-C4' energy: -173.402 flat angles C4'-P-C4' energy: -155.225 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -77.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1311.390894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.390894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.390894 (E_RNA) where: Base-Base interactions energy: -801.662 where: short stacking energy: -383.758 Base-Backbone interact. energy: 2.592 local terms energy: -512.321205 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -152.378 flat angles C4'-P-C4' energy: -118.233 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -37.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -752.438141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.438141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.438141 (E_RNA) where: Base-Base interactions energy: -268.948 where: short stacking energy: -206.263 Base-Backbone interact. energy: 3.102 local terms energy: -486.591399 where: bonds (distance) C4'-P energy: -156.416 bonds (distance) P-C4' energy: -163.552 flat angles C4'-P-C4' energy: -134.340 flat angles P-C4'-P energy: -68.430 tors. eta vs tors. theta energy: 36.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3102.734626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.734626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.734626 (E_RNA) where: Base-Base interactions energy: -2101.419 where: short stacking energy: -971.653 Base-Backbone interact. energy: 0.137 local terms energy: -1001.452620 where: bonds (distance) C4'-P energy: -165.311 bonds (distance) P-C4' energy: -186.271 flat angles C4'-P-C4' energy: -215.185 flat angles P-C4'-P energy: -142.651 tors. eta vs tors. theta energy: -292.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3064.290654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.290654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.290654 (E_RNA) where: Base-Base interactions energy: -2122.811 where: short stacking energy: -924.017 Base-Backbone interact. energy: -1.923 local terms energy: -939.555931 where: bonds (distance) C4'-P energy: -166.424 bonds (distance) P-C4' energy: -169.115 flat angles C4'-P-C4' energy: -194.360 flat angles P-C4'-P energy: -140.248 tors. eta vs tors. theta energy: -269.409 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: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2915.888974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.888974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.888974 (E_RNA) where: Base-Base interactions energy: -1978.743 where: short stacking energy: -917.819 Base-Backbone interact. energy: -2.529 local terms energy: -934.617345 where: bonds (distance) C4'-P energy: -176.260 bonds (distance) P-C4' energy: -178.649 flat angles C4'-P-C4' energy: -200.386 flat angles P-C4'-P energy: -120.745 tors. eta vs tors. theta energy: -258.577 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: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2858.174518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.174518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.174518 (E_RNA) where: Base-Base interactions energy: -1930.711 where: short stacking energy: -847.375 Base-Backbone interact. energy: -2.397 local terms energy: -925.066908 where: bonds (distance) C4'-P energy: -150.609 bonds (distance) P-C4' energy: -173.578 flat angles C4'-P-C4' energy: -207.095 flat angles P-C4'-P energy: -138.660 tors. eta vs tors. theta energy: -255.125 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: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2595.400316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.400316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.400316 (E_RNA) where: Base-Base interactions energy: -1729.377 where: short stacking energy: -758.699 Base-Backbone interact. energy: 1.992 local terms energy: -868.015485 where: bonds (distance) C4'-P energy: -180.948 bonds (distance) P-C4' energy: -166.109 flat angles C4'-P-C4' energy: -182.472 flat angles P-C4'-P energy: -118.471 tors. eta vs tors. theta energy: -220.016 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: 432 Temperature: 1.150000 Total energy: -2411.385539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.385539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.385539 (E_RNA) where: Base-Base interactions energy: -1626.896 where: short stacking energy: -723.193 Base-Backbone interact. energy: -2.177 local terms energy: -782.312380 where: bonds (distance) C4'-P energy: -143.835 bonds (distance) P-C4' energy: -142.216 flat angles C4'-P-C4' energy: -187.378 flat angles P-C4'-P energy: -117.934 tors. eta vs tors. theta energy: -190.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2015.309359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.309359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.309359 (E_RNA) where: Base-Base interactions energy: -1315.577 where: short stacking energy: -610.764 Base-Backbone interact. energy: -0.002 local terms energy: -699.730198 where: bonds (distance) C4'-P energy: -147.113 bonds (distance) P-C4' energy: -144.434 flat angles C4'-P-C4' energy: -177.393 flat angles P-C4'-P energy: -96.437 tors. eta vs tors. theta energy: -134.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1478.090837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.090837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.090837 (E_RNA) where: Base-Base interactions energy: -861.452 where: short stacking energy: -410.579 Base-Backbone interact. energy: 0.934 local terms energy: -617.572433 where: bonds (distance) C4'-P energy: -149.940 bonds (distance) P-C4' energy: -156.069 flat angles C4'-P-C4' energy: -121.355 flat angles P-C4'-P energy: -102.246 tors. eta vs tors. theta energy: -87.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1217.708214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.708214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.708214 (E_RNA) where: Base-Base interactions energy: -691.812 where: short stacking energy: -361.866 Base-Backbone interact. energy: 1.478 local terms energy: -527.373984 where: bonds (distance) C4'-P energy: -142.486 bonds (distance) P-C4' energy: -168.085 flat angles C4'-P-C4' energy: -128.134 flat angles P-C4'-P energy: -58.504 tors. eta vs tors. theta energy: -30.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -764.961469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.961469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.961469 (E_RNA) where: Base-Base interactions energy: -335.230 where: short stacking energy: -226.045 Base-Backbone interact. energy: -1.840 local terms energy: -427.890903 where: bonds (distance) C4'-P energy: -143.315 bonds (distance) P-C4' energy: -139.325 flat angles C4'-P-C4' energy: -124.886 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: 39.929 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: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3132.822386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.822386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.822386 (E_RNA) where: Base-Base interactions energy: -2106.713 where: short stacking energy: -972.613 Base-Backbone interact. energy: -2.188 local terms energy: -1023.921666 where: bonds (distance) C4'-P energy: -188.430 bonds (distance) P-C4' energy: -186.549 flat angles C4'-P-C4' energy: -212.947 flat angles P-C4'-P energy: -153.830 tors. eta vs tors. theta energy: -282.166 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: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3077.726322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.726322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.726322 (E_RNA) where: Base-Base interactions energy: -2125.693 where: short stacking energy: -915.584 Base-Backbone interact. energy: -1.899 local terms energy: -950.134957 where: bonds (distance) C4'-P energy: -159.511 bonds (distance) P-C4' energy: -167.440 flat angles C4'-P-C4' energy: -217.943 flat angles P-C4'-P energy: -136.723 tors. eta vs tors. theta energy: -268.519 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: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2861.666142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.666142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.666142 (E_RNA) where: Base-Base interactions energy: -1927.001 where: short stacking energy: -881.281 Base-Backbone interact. energy: -1.461 local terms energy: -933.204237 where: bonds (distance) C4'-P energy: -168.510 bonds (distance) P-C4' energy: -180.621 flat angles C4'-P-C4' energy: -202.664 flat angles P-C4'-P energy: -123.156 tors. eta vs tors. theta energy: -258.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2893.204585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.204585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.204585 (E_RNA) where: Base-Base interactions energy: -1992.437 where: short stacking energy: -873.363 Base-Backbone interact. energy: -1.371 local terms energy: -899.396572 where: bonds (distance) C4'-P energy: -158.732 bonds (distance) P-C4' energy: -178.379 flat angles C4'-P-C4' energy: -192.926 flat angles P-C4'-P energy: -129.863 tors. eta vs tors. theta energy: -239.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2620.152101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.152101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.152101 (E_RNA) where: Base-Base interactions energy: -1761.143 where: short stacking energy: -782.427 Base-Backbone interact. energy: -0.436 local terms energy: -858.573564 where: bonds (distance) C4'-P energy: -161.906 bonds (distance) P-C4' energy: -166.505 flat angles C4'-P-C4' energy: -191.580 flat angles P-C4'-P energy: -111.492 tors. eta vs tors. theta energy: -227.091 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: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2392.503417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.503417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.503417 (E_RNA) where: Base-Base interactions energy: -1632.056 where: short stacking energy: -713.949 Base-Backbone interact. energy: -3.561 local terms energy: -756.886928 where: bonds (distance) C4'-P energy: -149.514 bonds (distance) P-C4' energy: -147.526 flat angles C4'-P-C4' energy: -175.160 flat angles P-C4'-P energy: -100.393 tors. eta vs tors. theta energy: -184.294 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: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1989.628387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.628387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.628387 (E_RNA) where: Base-Base interactions energy: -1282.493 where: short stacking energy: -560.601 Base-Backbone interact. energy: 0.366 local terms energy: -707.501164 where: bonds (distance) C4'-P energy: -132.277 bonds (distance) P-C4' energy: -148.931 flat angles C4'-P-C4' energy: -167.706 flat angles P-C4'-P energy: -114.463 tors. eta vs tors. theta energy: -144.124 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: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1425.636291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.636291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.636291 (E_RNA) where: Base-Base interactions energy: -843.225 where: short stacking energy: -398.909 Base-Backbone interact. energy: 11.561 local terms energy: -593.971963 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -163.104 flat angles C4'-P-C4' energy: -149.492 flat angles P-C4'-P energy: -85.228 tors. eta vs tors. theta energy: -65.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1191.821437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.821437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.821437 (E_RNA) where: Base-Base interactions energy: -669.263 where: short stacking energy: -327.179 Base-Backbone interact. energy: 0.300 local terms energy: -522.859165 where: bonds (distance) C4'-P energy: -160.459 bonds (distance) P-C4' energy: -142.367 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -84.362 tors. eta vs tors. theta energy: -0.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -790.356582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.356582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.356582 (E_RNA) where: Base-Base interactions energy: -327.837 where: short stacking energy: -218.665 Base-Backbone interact. energy: -0.392 local terms energy: -462.128138 where: bonds (distance) C4'-P energy: -150.169 bonds (distance) P-C4' energy: -155.315 flat angles C4'-P-C4' energy: -120.173 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: 22.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3154.710103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.710103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.710103 (E_RNA) where: Base-Base interactions energy: -2118.674 where: short stacking energy: -977.183 Base-Backbone interact. energy: -3.343 local terms energy: -1032.692974 where: bonds (distance) C4'-P energy: -165.103 bonds (distance) P-C4' energy: -184.875 flat angles C4'-P-C4' energy: -221.401 flat angles P-C4'-P energy: -160.832 tors. eta vs tors. theta energy: -300.482 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: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3074.998359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.998359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.998359 (E_RNA) where: Base-Base interactions energy: -2124.215 where: short stacking energy: -918.854 Base-Backbone interact. energy: -2.102 local terms energy: -948.681668 where: bonds (distance) C4'-P energy: -161.087 bonds (distance) P-C4' energy: -171.687 flat angles C4'-P-C4' energy: -206.382 flat angles P-C4'-P energy: -147.419 tors. eta vs tors. theta energy: -262.107 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: 434 Temperature: 1.000000 Total energy: -2843.155947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.155947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.155947 (E_RNA) where: Base-Base interactions energy: -1921.803 where: short stacking energy: -910.644 Base-Backbone interact. energy: -3.667 local terms energy: -917.686041 where: bonds (distance) C4'-P energy: -156.995 bonds (distance) P-C4' energy: -183.589 flat angles C4'-P-C4' energy: -190.911 flat angles P-C4'-P energy: -133.362 tors. eta vs tors. theta energy: -252.830 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: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2842.622343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.622343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.622343 (E_RNA) where: Base-Base interactions energy: -1923.185 where: short stacking energy: -866.473 Base-Backbone interact. energy: -2.501 local terms energy: -916.936899 where: bonds (distance) C4'-P energy: -176.305 bonds (distance) P-C4' energy: -161.914 flat angles C4'-P-C4' energy: -208.602 flat angles P-C4'-P energy: -123.206 tors. eta vs tors. theta energy: -246.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2586.345407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.345407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.345407 (E_RNA) where: Base-Base interactions energy: -1767.285 where: short stacking energy: -812.454 Base-Backbone interact. energy: -5.384 local terms energy: -813.676337 where: bonds (distance) C4'-P energy: -136.271 bonds (distance) P-C4' energy: -154.238 flat angles C4'-P-C4' energy: -188.006 flat angles P-C4'-P energy: -107.710 tors. eta vs tors. theta energy: -227.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2460.772368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.772368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.772368 (E_RNA) where: Base-Base interactions energy: -1665.167 where: short stacking energy: -735.477 Base-Backbone interact. energy: -6.789 local terms energy: -788.815856 where: bonds (distance) C4'-P energy: -140.905 bonds (distance) P-C4' energy: -182.553 flat angles C4'-P-C4' energy: -184.434 flat angles P-C4'-P energy: -85.074 tors. eta vs tors. theta energy: -195.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1941.324292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.324292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.324292 (E_RNA) where: Base-Base interactions energy: -1223.960 where: short stacking energy: -582.405 Base-Backbone interact. energy: 0.115 local terms energy: -717.479272 where: bonds (distance) C4'-P energy: -149.775 bonds (distance) P-C4' energy: -158.152 flat angles C4'-P-C4' energy: -187.157 flat angles P-C4'-P energy: -87.310 tors. eta vs tors. theta energy: -135.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1491.702778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.702778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.702778 (E_RNA) where: Base-Base interactions energy: -855.730 where: short stacking energy: -445.797 Base-Backbone interact. energy: -3.087 local terms energy: -632.886191 where: bonds (distance) C4'-P energy: -140.004 bonds (distance) P-C4' energy: -151.604 flat angles C4'-P-C4' energy: -162.604 flat angles P-C4'-P energy: -104.010 tors. eta vs tors. theta energy: -74.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1079.958369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.958369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.958369 (E_RNA) where: Base-Base interactions energy: -567.940 where: short stacking energy: -338.861 Base-Backbone interact. energy: 0.472 local terms energy: -512.491124 where: bonds (distance) C4'-P energy: -139.533 bonds (distance) P-C4' energy: -150.598 flat angles C4'-P-C4' energy: -112.361 flat angles P-C4'-P energy: -83.665 tors. eta vs tors. theta energy: -26.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -741.929274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.929274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.929274 (E_RNA) where: Base-Base interactions energy: -318.378 where: short stacking energy: -222.517 Base-Backbone interact. energy: 12.606 local terms energy: -436.157491 where: bonds (distance) C4'-P energy: -126.717 bonds (distance) P-C4' energy: -166.632 flat angles C4'-P-C4' energy: -117.930 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: 33.938 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: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3149.279921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.279921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.279921 (E_RNA) where: Base-Base interactions energy: -2107.995 where: short stacking energy: -966.000 Base-Backbone interact. energy: -1.915 local terms energy: -1039.369645 where: bonds (distance) C4'-P energy: -168.784 bonds (distance) P-C4' energy: -193.162 flat angles C4'-P-C4' energy: -222.285 flat angles P-C4'-P energy: -154.324 tors. eta vs tors. theta energy: -300.813 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: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3080.956051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.956051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.956051 (E_RNA) where: Base-Base interactions energy: -2145.983 where: short stacking energy: -950.487 Base-Backbone interact. energy: -2.901 local terms energy: -932.072121 where: bonds (distance) C4'-P energy: -152.723 bonds (distance) P-C4' energy: -192.979 flat angles C4'-P-C4' energy: -198.756 flat angles P-C4'-P energy: -119.786 tors. eta vs tors. theta energy: -267.827 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: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2878.170356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.170356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.170356 (E_RNA) where: Base-Base interactions energy: -1961.816 where: short stacking energy: -887.395 Base-Backbone interact. energy: -2.493 local terms energy: -913.861438 where: bonds (distance) C4'-P energy: -168.665 bonds (distance) P-C4' energy: -163.362 flat angles C4'-P-C4' energy: -198.283 flat angles P-C4'-P energy: -126.065 tors. eta vs tors. theta energy: -257.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2803.634243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.634243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.634243 (E_RNA) where: Base-Base interactions energy: -1897.734 where: short stacking energy: -836.632 Base-Backbone interact. energy: 3.216 local terms energy: -909.116224 where: bonds (distance) C4'-P energy: -168.438 bonds (distance) P-C4' energy: -170.135 flat angles C4'-P-C4' energy: -200.824 flat angles P-C4'-P energy: -119.744 tors. eta vs tors. theta energy: -249.975 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: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2572.779891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.779891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.779891 (E_RNA) where: Base-Base interactions energy: -1742.720 where: short stacking energy: -792.807 Base-Backbone interact. energy: -0.793 local terms energy: -829.267365 where: bonds (distance) C4'-P energy: -140.991 bonds (distance) P-C4' energy: -172.737 flat angles C4'-P-C4' energy: -189.961 flat angles P-C4'-P energy: -105.300 tors. eta vs tors. theta energy: -220.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2400.648396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.648396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.648396 (E_RNA) where: Base-Base interactions energy: -1623.691 where: short stacking energy: -706.103 Base-Backbone interact. energy: 3.598 local terms energy: -780.554895 where: bonds (distance) C4'-P energy: -159.193 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -180.977 flat angles P-C4'-P energy: -108.545 tors. eta vs tors. theta energy: -182.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1896.211943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.211943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.211943 (E_RNA) where: Base-Base interactions energy: -1209.778 where: short stacking energy: -522.028 Base-Backbone interact. energy: -1.300 local terms energy: -685.134240 where: bonds (distance) C4'-P energy: -136.069 bonds (distance) P-C4' energy: -179.369 flat angles C4'-P-C4' energy: -157.508 flat angles P-C4'-P energy: -114.495 tors. eta vs tors. theta energy: -97.693 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: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1535.557881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.557881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.557881 (E_RNA) where: Base-Base interactions energy: -959.918 where: short stacking energy: -480.605 Base-Backbone interact. energy: 3.551 local terms energy: -579.191284 where: bonds (distance) C4'-P energy: -124.021 bonds (distance) P-C4' energy: -159.780 flat angles C4'-P-C4' energy: -129.037 flat angles P-C4'-P energy: -77.416 tors. eta vs tors. theta energy: -88.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1109.131513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.131513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.131513 (E_RNA) where: Base-Base interactions energy: -603.583 where: short stacking energy: -345.442 Base-Backbone interact. energy: 4.414 local terms energy: -509.962419 where: bonds (distance) C4'-P energy: -117.876 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -131.871 flat angles P-C4'-P energy: -75.719 tors. eta vs tors. theta energy: -42.673 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: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -765.279944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.279944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.279944 (E_RNA) where: Base-Base interactions energy: -269.062 where: short stacking energy: -225.166 Base-Backbone interact. energy: 1.310 local terms energy: -497.527123 where: bonds (distance) C4'-P energy: -147.961 bonds (distance) P-C4' energy: -164.889 flat angles C4'-P-C4' energy: -120.886 flat angles P-C4'-P energy: -82.792 tors. eta vs tors. theta energy: 19.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3115.889193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.889193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.889193 (E_RNA) where: Base-Base interactions energy: -2108.709 where: short stacking energy: -972.468 Base-Backbone interact. energy: -0.677 local terms energy: -1006.503716 where: bonds (distance) C4'-P energy: -170.144 bonds (distance) P-C4' energy: -196.815 flat angles C4'-P-C4' energy: -207.063 flat angles P-C4'-P energy: -142.806 tors. eta vs tors. theta energy: -289.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3097.653224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.653224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.653224 (E_RNA) where: Base-Base interactions energy: -2134.331 where: short stacking energy: -933.187 Base-Backbone interact. energy: -0.555 local terms energy: -962.767785 where: bonds (distance) C4'-P energy: -165.149 bonds (distance) P-C4' energy: -176.724 flat angles C4'-P-C4' energy: -201.892 flat angles P-C4'-P energy: -150.442 tors. eta vs tors. theta energy: -268.561 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2880.601631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.601631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.601631 (E_RNA) where: Base-Base interactions energy: -1964.372 where: short stacking energy: -891.833 Base-Backbone interact. energy: -0.657 local terms energy: -915.573510 where: bonds (distance) C4'-P energy: -162.671 bonds (distance) P-C4' energy: -155.939 flat angles C4'-P-C4' energy: -198.004 flat angles P-C4'-P energy: -133.010 tors. eta vs tors. theta energy: -265.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2774.757118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.757118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.757118 (E_RNA) where: Base-Base interactions energy: -1877.590 where: short stacking energy: -818.194 Base-Backbone interact. energy: 4.426 local terms energy: -901.593376 where: bonds (distance) C4'-P energy: -148.268 bonds (distance) P-C4' energy: -166.325 flat angles C4'-P-C4' energy: -204.013 flat angles P-C4'-P energy: -142.647 tors. eta vs tors. theta energy: -240.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2655.717366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.717366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.717366 (E_RNA) where: Base-Base interactions energy: -1777.516 where: short stacking energy: -809.376 Base-Backbone interact. energy: -3.761 local terms energy: -874.440327 where: bonds (distance) C4'-P energy: -162.288 bonds (distance) P-C4' energy: -162.069 flat angles C4'-P-C4' energy: -200.733 flat angles P-C4'-P energy: -111.208 tors. eta vs tors. theta energy: -238.143 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2448.470745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.470745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.470745 (E_RNA) where: Base-Base interactions energy: -1640.110 where: short stacking energy: -726.211 Base-Backbone interact. energy: -4.192 local terms energy: -804.168903 where: bonds (distance) C4'-P energy: -142.661 bonds (distance) P-C4' energy: -168.856 flat angles C4'-P-C4' energy: -183.854 flat angles P-C4'-P energy: -110.514 tors. eta vs tors. theta energy: -198.283 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: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1973.195044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.195044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.195044 (E_RNA) where: Base-Base interactions energy: -1305.471 where: short stacking energy: -585.028 Base-Backbone interact. energy: 1.644 local terms energy: -669.368236 where: bonds (distance) C4'-P energy: -141.358 bonds (distance) P-C4' energy: -144.818 flat angles C4'-P-C4' energy: -150.821 flat angles P-C4'-P energy: -99.251 tors. eta vs tors. theta energy: -133.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1583.971407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.971407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.971407 (E_RNA) where: Base-Base interactions energy: -935.237 where: short stacking energy: -458.167 Base-Backbone interact. energy: 3.870 local terms energy: -652.604443 where: bonds (distance) C4'-P energy: -165.834 bonds (distance) P-C4' energy: -163.124 flat angles C4'-P-C4' energy: -148.068 flat angles P-C4'-P energy: -93.936 tors. eta vs tors. theta energy: -81.644 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: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1160.279430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.279430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.279430 (E_RNA) where: Base-Base interactions energy: -594.109 where: short stacking energy: -326.618 Base-Backbone interact. energy: -2.277 local terms energy: -563.894058 where: bonds (distance) C4'-P energy: -159.893 bonds (distance) P-C4' energy: -156.854 flat angles C4'-P-C4' energy: -142.463 flat angles P-C4'-P energy: -87.228 tors. eta vs tors. theta energy: -17.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -729.790504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.790504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.790504 (E_RNA) where: Base-Base interactions energy: -288.638 where: short stacking energy: -211.134 Base-Backbone interact. energy: 8.264 local terms energy: -449.415929 where: bonds (distance) C4'-P energy: -144.046 bonds (distance) P-C4' energy: -162.182 flat angles C4'-P-C4' energy: -100.530 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: 19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3152.089467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.089467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.089467 (E_RNA) where: Base-Base interactions energy: -2113.596 where: short stacking energy: -1004.712 Base-Backbone interact. energy: 0.207 local terms energy: -1038.700495 where: bonds (distance) C4'-P energy: -183.219 bonds (distance) P-C4' energy: -181.873 flat angles C4'-P-C4' energy: -219.812 flat angles P-C4'-P energy: -157.679 tors. eta vs tors. theta energy: -296.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3061.220791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.220791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.220791 (E_RNA) where: Base-Base interactions energy: -2106.911 where: short stacking energy: -927.226 Base-Backbone interact. energy: -3.057 local terms energy: -951.253040 where: bonds (distance) C4'-P energy: -171.598 bonds (distance) P-C4' energy: -178.977 flat angles C4'-P-C4' energy: -198.751 flat angles P-C4'-P energy: -142.398 tors. eta vs tors. theta energy: -259.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2888.360647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.360647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.360647 (E_RNA) where: Base-Base interactions energy: -1975.269 where: short stacking energy: -896.650 Base-Backbone interact. energy: -4.956 local terms energy: -908.134926 where: bonds (distance) C4'-P energy: -162.582 bonds (distance) P-C4' energy: -151.496 flat angles C4'-P-C4' energy: -197.958 flat angles P-C4'-P energy: -137.761 tors. eta vs tors. theta energy: -258.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2780.914038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.914038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.914038 (E_RNA) where: Base-Base interactions energy: -1881.633 where: short stacking energy: -836.092 Base-Backbone interact. energy: 0.612 local terms energy: -899.892672 where: bonds (distance) C4'-P energy: -179.087 bonds (distance) P-C4' energy: -174.630 flat angles C4'-P-C4' energy: -201.449 flat angles P-C4'-P energy: -117.155 tors. eta vs tors. theta energy: -227.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2605.149769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.149769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.149769 (E_RNA) where: Base-Base interactions energy: -1742.511 where: short stacking energy: -833.270 Base-Backbone interact. energy: -3.705 local terms energy: -858.933577 where: bonds (distance) C4'-P energy: -152.080 bonds (distance) P-C4' energy: -167.538 flat angles C4'-P-C4' energy: -192.697 flat angles P-C4'-P energy: -106.141 tors. eta vs tors. theta energy: -240.478 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: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2450.982680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.982680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.982680 (E_RNA) where: Base-Base interactions energy: -1639.809 where: short stacking energy: -725.801 Base-Backbone interact. energy: -1.232 local terms energy: -809.941543 where: bonds (distance) C4'-P energy: -166.162 bonds (distance) P-C4' energy: -160.898 flat angles C4'-P-C4' energy: -175.819 flat angles P-C4'-P energy: -122.040 tors. eta vs tors. theta energy: -185.022 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: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2025.091710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.091710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.091710 (E_RNA) where: Base-Base interactions energy: -1321.857 where: short stacking energy: -572.728 Base-Backbone interact. energy: -1.503 local terms energy: -701.730918 where: bonds (distance) C4'-P energy: -169.233 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -160.835 flat angles P-C4'-P energy: -97.368 tors. eta vs tors. theta energy: -129.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1647.798674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.798674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.798674 (E_RNA) where: Base-Base interactions energy: -1024.096 where: short stacking energy: -479.912 Base-Backbone interact. energy: 4.101 local terms energy: -627.804090 where: bonds (distance) C4'-P energy: -155.771 bonds (distance) P-C4' energy: -164.970 flat angles C4'-P-C4' energy: -144.462 flat angles P-C4'-P energy: -85.763 tors. eta vs tors. theta energy: -76.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1108.416855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.416855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.416855 (E_RNA) where: Base-Base interactions energy: -579.967 where: short stacking energy: -340.787 Base-Backbone interact. energy: 7.579 local terms energy: -536.029074 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -152.177 flat angles C4'-P-C4' energy: -129.207 flat angles P-C4'-P energy: -98.998 tors. eta vs tors. theta energy: -25.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -762.586600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.586600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.586600 (E_RNA) where: Base-Base interactions energy: -301.397 where: short stacking energy: -225.432 Base-Backbone interact. energy: 5.659 local terms energy: -466.849089 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -172.540 flat angles C4'-P-C4' energy: -110.060 flat angles P-C4'-P energy: -72.488 tors. eta vs tors. theta energy: 24.571 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: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3144.408170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.408170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.408170 (E_RNA) where: Base-Base interactions energy: -2117.166 where: short stacking energy: -965.902 Base-Backbone interact. energy: -0.769 local terms energy: -1026.473264 where: bonds (distance) C4'-P energy: -191.722 bonds (distance) P-C4' energy: -191.689 flat angles C4'-P-C4' energy: -211.092 flat angles P-C4'-P energy: -138.980 tors. eta vs tors. theta energy: -292.990 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: 438 Temperature: 0.950000 Total energy: -3044.212086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.212086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.212086 (E_RNA) where: Base-Base interactions energy: -2090.321 where: short stacking energy: -904.326 Base-Backbone interact. energy: -2.440 local terms energy: -951.451180 where: bonds (distance) C4'-P energy: -172.910 bonds (distance) P-C4' energy: -179.514 flat angles C4'-P-C4' energy: -209.385 flat angles P-C4'-P energy: -139.274 tors. eta vs tors. theta energy: -250.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2880.588391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.588391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.588391 (E_RNA) where: Base-Base interactions energy: -1951.328 where: short stacking energy: -870.333 Base-Backbone interact. energy: -3.454 local terms energy: -925.806169 where: bonds (distance) C4'-P energy: -167.969 bonds (distance) P-C4' energy: -170.596 flat angles C4'-P-C4' energy: -208.215 flat angles P-C4'-P energy: -132.917 tors. eta vs tors. theta energy: -246.109 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: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2797.406408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.406408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.406408 (E_RNA) where: Base-Base interactions energy: -1894.073 where: short stacking energy: -795.812 Base-Backbone interact. energy: 0.685 local terms energy: -904.018236 where: bonds (distance) C4'-P energy: -158.811 bonds (distance) P-C4' energy: -181.493 flat angles C4'-P-C4' energy: -208.859 flat angles P-C4'-P energy: -120.526 tors. eta vs tors. theta energy: -234.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2533.281337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.281337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.281337 (E_RNA) where: Base-Base interactions energy: -1685.216 where: short stacking energy: -756.657 Base-Backbone interact. energy: -0.177 local terms energy: -847.887931 where: bonds (distance) C4'-P energy: -152.627 bonds (distance) P-C4' energy: -179.109 flat angles C4'-P-C4' energy: -196.089 flat angles P-C4'-P energy: -111.850 tors. eta vs tors. theta energy: -208.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2390.092573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.092573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.092573 (E_RNA) where: Base-Base interactions energy: -1591.054 where: short stacking energy: -706.772 Base-Backbone interact. energy: -0.260 local terms energy: -798.779220 where: bonds (distance) C4'-P energy: -157.935 bonds (distance) P-C4' energy: -156.241 flat angles C4'-P-C4' energy: -176.156 flat angles P-C4'-P energy: -121.080 tors. eta vs tors. theta energy: -187.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2016.719036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.719036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.719036 (E_RNA) where: Base-Base interactions energy: -1304.941 where: short stacking energy: -567.564 Base-Backbone interact. energy: 1.590 local terms energy: -713.368143 where: bonds (distance) C4'-P energy: -149.418 bonds (distance) P-C4' energy: -165.097 flat angles C4'-P-C4' energy: -151.634 flat angles P-C4'-P energy: -124.825 tors. eta vs tors. theta energy: -122.395 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: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1677.729280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.729280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.729280 (E_RNA) where: Base-Base interactions energy: -1016.299 where: short stacking energy: -460.149 Base-Backbone interact. energy: -0.262 local terms energy: -661.168078 where: bonds (distance) C4'-P energy: -153.975 bonds (distance) P-C4' energy: -170.662 flat angles C4'-P-C4' energy: -147.504 flat angles P-C4'-P energy: -97.732 tors. eta vs tors. theta energy: -91.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1119.444881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.444881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.444881 (E_RNA) where: Base-Base interactions energy: -576.158 where: short stacking energy: -312.373 Base-Backbone interact. energy: 0.495 local terms energy: -543.781851 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -159.333 flat angles C4'-P-C4' energy: -139.189 flat angles P-C4'-P energy: -59.580 tors. eta vs tors. theta energy: -33.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -742.676134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.676134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.676134 (E_RNA) where: Base-Base interactions energy: -273.237 where: short stacking energy: -206.377 Base-Backbone interact. energy: 1.177 local terms energy: -470.616162 where: bonds (distance) C4'-P energy: -142.711 bonds (distance) P-C4' energy: -151.572 flat angles C4'-P-C4' energy: -136.557 flat angles P-C4'-P energy: -69.447 tors. eta vs tors. theta energy: 29.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3178.977480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.977480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.977480 (E_RNA) where: Base-Base interactions energy: -2155.365 where: short stacking energy: -1010.764 Base-Backbone interact. energy: -2.128 local terms energy: -1021.483966 where: bonds (distance) C4'-P energy: -177.807 bonds (distance) P-C4' energy: -200.012 flat angles C4'-P-C4' energy: -205.550 flat angles P-C4'-P energy: -142.469 tors. eta vs tors. theta energy: -295.646 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: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3089.403909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.403909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.403909 (E_RNA) where: Base-Base interactions energy: -2097.412 where: short stacking energy: -936.546 Base-Backbone interact. energy: -3.703 local terms energy: -988.288482 where: bonds (distance) C4'-P energy: -188.771 bonds (distance) P-C4' energy: -173.972 flat angles C4'-P-C4' energy: -213.112 flat angles P-C4'-P energy: -135.685 tors. eta vs tors. theta energy: -276.748 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: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2899.143577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.143577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.143577 (E_RNA) where: Base-Base interactions energy: -1970.899 where: short stacking energy: -896.270 Base-Backbone interact. energy: -4.906 local terms energy: -923.338019 where: bonds (distance) C4'-P energy: -163.408 bonds (distance) P-C4' energy: -147.886 flat angles C4'-P-C4' energy: -204.213 flat angles P-C4'-P energy: -134.838 tors. eta vs tors. theta energy: -272.992 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: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2798.001878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.001878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.001878 (E_RNA) where: Base-Base interactions energy: -1893.312 where: short stacking energy: -856.320 Base-Backbone interact. energy: -3.355 local terms energy: -901.334465 where: bonds (distance) C4'-P energy: -171.523 bonds (distance) P-C4' energy: -169.625 flat angles C4'-P-C4' energy: -196.903 flat angles P-C4'-P energy: -119.855 tors. eta vs tors. theta energy: -243.428 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: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2514.977323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.977323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.977323 (E_RNA) where: Base-Base interactions energy: -1697.871 where: short stacking energy: -771.029 Base-Backbone interact. energy: -4.467 local terms energy: -812.639140 where: bonds (distance) C4'-P energy: -153.175 bonds (distance) P-C4' energy: -166.359 flat angles C4'-P-C4' energy: -169.630 flat angles P-C4'-P energy: -113.512 tors. eta vs tors. theta energy: -209.963 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: 439 Temperature: 1.150000 Total energy: -2360.566508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.566508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.566508 (E_RNA) where: Base-Base interactions energy: -1601.588 where: short stacking energy: -674.296 Base-Backbone interact. energy: 4.333 local terms energy: -763.311069 where: bonds (distance) C4'-P energy: -146.805 bonds (distance) P-C4' energy: -154.725 flat angles C4'-P-C4' energy: -172.136 flat angles P-C4'-P energy: -106.164 tors. eta vs tors. theta energy: -183.481 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: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1981.409776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.409776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.409776 (E_RNA) where: Base-Base interactions energy: -1250.063 where: short stacking energy: -574.175 Base-Backbone interact. energy: 2.158 local terms energy: -733.503818 where: bonds (distance) C4'-P energy: -152.832 bonds (distance) P-C4' energy: -160.573 flat angles C4'-P-C4' energy: -167.138 flat angles P-C4'-P energy: -121.427 tors. eta vs tors. theta energy: -131.535 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: 439 Temperature: 1.250000 Total energy: -1528.101912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.101912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.101912 (E_RNA) where: Base-Base interactions energy: -891.347 where: short stacking energy: -416.102 Base-Backbone interact. energy: 3.016 local terms energy: -639.770903 where: bonds (distance) C4'-P energy: -162.041 bonds (distance) P-C4' energy: -149.335 flat angles C4'-P-C4' energy: -166.813 flat angles P-C4'-P energy: -93.865 tors. eta vs tors. theta energy: -67.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1125.171537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.171537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.171537 (E_RNA) where: Base-Base interactions energy: -627.372 where: short stacking energy: -328.183 Base-Backbone interact. energy: 2.861 local terms energy: -500.660098 where: bonds (distance) C4'-P energy: -127.425 bonds (distance) P-C4' energy: -125.339 flat angles C4'-P-C4' energy: -138.742 flat angles P-C4'-P energy: -95.632 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -713.770953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.770953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.770953 (E_RNA) where: Base-Base interactions energy: -254.449 where: short stacking energy: -183.125 Base-Backbone interact. energy: 0.238 local terms energy: -459.560372 where: bonds (distance) C4'-P energy: -157.740 bonds (distance) P-C4' energy: -146.180 flat angles C4'-P-C4' energy: -107.992 flat angles P-C4'-P energy: -70.714 tors. eta vs tors. theta energy: 23.065 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: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3189.163077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.163077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.163077 (E_RNA) where: Base-Base interactions energy: -2147.430 where: short stacking energy: -1002.390 Base-Backbone interact. energy: -5.068 local terms energy: -1036.665388 where: bonds (distance) C4'-P energy: -162.367 bonds (distance) P-C4' energy: -192.515 flat angles C4'-P-C4' energy: -222.164 flat angles P-C4'-P energy: -155.446 tors. eta vs tors. theta energy: -304.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3068.621355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.621355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.621355 (E_RNA) where: Base-Base interactions energy: -2114.376 where: short stacking energy: -929.793 Base-Backbone interact. energy: -6.062 local terms energy: -948.182910 where: bonds (distance) C4'-P energy: -162.930 bonds (distance) P-C4' energy: -180.679 flat angles C4'-P-C4' energy: -199.434 flat angles P-C4'-P energy: -134.471 tors. eta vs tors. theta energy: -270.668 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: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2883.898764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.898764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.898764 (E_RNA) where: Base-Base interactions energy: -1967.945 where: short stacking energy: -887.154 Base-Backbone interact. energy: -3.005 local terms energy: -912.947918 where: bonds (distance) C4'-P energy: -158.118 bonds (distance) P-C4' energy: -161.457 flat angles C4'-P-C4' energy: -196.257 flat angles P-C4'-P energy: -135.604 tors. eta vs tors. theta energy: -261.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2793.270583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.270583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.270583 (E_RNA) where: Base-Base interactions energy: -1925.392 where: short stacking energy: -853.294 Base-Backbone interact. energy: -2.635 local terms energy: -865.243330 where: bonds (distance) C4'-P energy: -158.487 bonds (distance) P-C4' energy: -167.040 flat angles C4'-P-C4' energy: -186.888 flat angles P-C4'-P energy: -119.739 tors. eta vs tors. theta energy: -233.089 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: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2536.682817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.682817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.682817 (E_RNA) where: Base-Base interactions energy: -1689.014 where: short stacking energy: -786.850 Base-Backbone interact. energy: 5.186 local terms energy: -852.855299 where: bonds (distance) C4'-P energy: -167.655 bonds (distance) P-C4' energy: -170.680 flat angles C4'-P-C4' energy: -189.143 flat angles P-C4'-P energy: -112.229 tors. eta vs tors. theta energy: -213.148 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: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2401.717583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.717583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.717583 (E_RNA) where: Base-Base interactions energy: -1653.263 where: short stacking energy: -720.172 Base-Backbone interact. energy: -4.384 local terms energy: -744.070577 where: bonds (distance) C4'-P energy: -148.812 bonds (distance) P-C4' energy: -137.286 flat angles C4'-P-C4' energy: -166.308 flat angles P-C4'-P energy: -113.063 tors. eta vs tors. theta energy: -178.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1976.535930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.535930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.535930 (E_RNA) where: Base-Base interactions energy: -1268.836 where: short stacking energy: -586.032 Base-Backbone interact. energy: 2.817 local terms energy: -710.517535 where: bonds (distance) C4'-P energy: -165.158 bonds (distance) P-C4' energy: -159.750 flat angles C4'-P-C4' energy: -153.487 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -142.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1684.485167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.485167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.485167 (E_RNA) where: Base-Base interactions energy: -1042.706 where: short stacking energy: -517.401 Base-Backbone interact. energy: 0.572 local terms energy: -642.351319 where: bonds (distance) C4'-P energy: -142.205 bonds (distance) P-C4' energy: -170.416 flat angles C4'-P-C4' energy: -152.135 flat angles P-C4'-P energy: -92.860 tors. eta vs tors. theta energy: -84.735 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: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1178.642434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.642434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.642434 (E_RNA) where: Base-Base interactions energy: -650.511 where: short stacking energy: -358.516 Base-Backbone interact. energy: 4.470 local terms energy: -532.601394 where: bonds (distance) C4'-P energy: -114.770 bonds (distance) P-C4' energy: -158.006 flat angles C4'-P-C4' energy: -158.130 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -45.263 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: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -773.213238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.213238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.213238 (E_RNA) where: Base-Base interactions energy: -300.951 where: short stacking energy: -234.197 Base-Backbone interact. energy: 1.508 local terms energy: -473.770868 where: bonds (distance) C4'-P energy: -125.724 bonds (distance) P-C4' energy: -162.666 flat angles C4'-P-C4' energy: -143.797 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: 21.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3173.606292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.606292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.606292 (E_RNA) where: Base-Base interactions energy: -2136.259 where: short stacking energy: -989.123 Base-Backbone interact. energy: -0.007 local terms energy: -1037.340088 where: bonds (distance) C4'-P energy: -168.623 bonds (distance) P-C4' energy: -208.224 flat angles C4'-P-C4' energy: -217.936 flat angles P-C4'-P energy: -146.130 tors. eta vs tors. theta energy: -296.428 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: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3065.666032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.666032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.666032 (E_RNA) where: Base-Base interactions energy: -2104.954 where: short stacking energy: -932.835 Base-Backbone interact. energy: -2.226 local terms energy: -958.485925 where: bonds (distance) C4'-P energy: -175.482 bonds (distance) P-C4' energy: -177.922 flat angles C4'-P-C4' energy: -204.035 flat angles P-C4'-P energy: -138.498 tors. eta vs tors. theta energy: -262.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2901.824374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.824374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.824374 (E_RNA) where: Base-Base interactions energy: -2000.198 where: short stacking energy: -900.106 Base-Backbone interact. energy: 1.895 local terms energy: -903.520727 where: bonds (distance) C4'-P energy: -154.350 bonds (distance) P-C4' energy: -172.370 flat angles C4'-P-C4' energy: -202.703 flat angles P-C4'-P energy: -124.995 tors. eta vs tors. theta energy: -249.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2823.378153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.378153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.378153 (E_RNA) where: Base-Base interactions energy: -1928.622 where: short stacking energy: -825.199 Base-Backbone interact. energy: -0.036 local terms energy: -894.719819 where: bonds (distance) C4'-P energy: -161.847 bonds (distance) P-C4' energy: -162.770 flat angles C4'-P-C4' energy: -202.137 flat angles P-C4'-P energy: -131.934 tors. eta vs tors. theta energy: -236.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2589.983532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.983532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.983532 (E_RNA) where: Base-Base interactions energy: -1749.521 where: short stacking energy: -804.483 Base-Backbone interact. energy: 5.124 local terms energy: -845.585974 where: bonds (distance) C4'-P energy: -177.969 bonds (distance) P-C4' energy: -154.092 flat angles C4'-P-C4' energy: -184.761 flat angles P-C4'-P energy: -103.658 tors. eta vs tors. theta energy: -225.105 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: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2428.957740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.957740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.957740 (E_RNA) where: Base-Base interactions energy: -1635.063 where: short stacking energy: -711.152 Base-Backbone interact. energy: -2.192 local terms energy: -791.703230 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -142.846 flat angles C4'-P-C4' energy: -186.440 flat angles P-C4'-P energy: -126.675 tors. eta vs tors. theta energy: -193.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1922.681378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.681378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.681378 (E_RNA) where: Base-Base interactions energy: -1247.449 where: short stacking energy: -565.007 Base-Backbone interact. energy: 1.841 local terms energy: -677.074022 where: bonds (distance) C4'-P energy: -155.051 bonds (distance) P-C4' energy: -129.773 flat angles C4'-P-C4' energy: -166.811 flat angles P-C4'-P energy: -101.936 tors. eta vs tors. theta energy: -123.503 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: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1689.154245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.154245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.154245 (E_RNA) where: Base-Base interactions energy: -1060.061 where: short stacking energy: -488.216 Base-Backbone interact. energy: -0.685 local terms energy: -628.407759 where: bonds (distance) C4'-P energy: -132.101 bonds (distance) P-C4' energy: -157.412 flat angles C4'-P-C4' energy: -129.789 flat angles P-C4'-P energy: -97.124 tors. eta vs tors. theta energy: -111.982 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: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1190.533373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.533373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.533373 (E_RNA) where: Base-Base interactions energy: -641.540 where: short stacking energy: -341.818 Base-Backbone interact. energy: 3.297 local terms energy: -552.289598 where: bonds (distance) C4'-P energy: -146.414 bonds (distance) P-C4' energy: -174.356 flat angles C4'-P-C4' energy: -136.539 flat angles P-C4'-P energy: -81.725 tors. eta vs tors. theta energy: -13.256 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: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -674.842008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.842008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.842008 (E_RNA) where: Base-Base interactions energy: -269.071 where: short stacking energy: -211.193 Base-Backbone interact. energy: 1.753 local terms energy: -407.523968 where: bonds (distance) C4'-P energy: -134.285 bonds (distance) P-C4' energy: -145.083 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: 38.703 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: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3158.042329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.042329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.042329 (E_RNA) where: Base-Base interactions energy: -2152.497 where: short stacking energy: -944.254 Base-Backbone interact. energy: -4.935 local terms energy: -1000.610055 where: bonds (distance) C4'-P energy: -179.907 bonds (distance) P-C4' energy: -195.955 flat angles C4'-P-C4' energy: -206.633 flat angles P-C4'-P energy: -138.503 tors. eta vs tors. theta energy: -279.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3090.205871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.205871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.205871 (E_RNA) where: Base-Base interactions energy: -2076.266 where: short stacking energy: -964.301 Base-Backbone interact. energy: -6.168 local terms energy: -1007.771678 where: bonds (distance) C4'-P energy: -172.040 bonds (distance) P-C4' energy: -164.560 flat angles C4'-P-C4' energy: -228.128 flat angles P-C4'-P energy: -141.982 tors. eta vs tors. theta energy: -301.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2895.113426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.113426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.113426 (E_RNA) where: Base-Base interactions energy: -1967.773 where: short stacking energy: -901.905 Base-Backbone interact. energy: -4.800 local terms energy: -922.540030 where: bonds (distance) C4'-P energy: -163.068 bonds (distance) P-C4' energy: -160.309 flat angles C4'-P-C4' energy: -205.848 flat angles P-C4'-P energy: -136.797 tors. eta vs tors. theta energy: -256.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2853.324112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.324112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.324112 (E_RNA) where: Base-Base interactions energy: -1940.164 where: short stacking energy: -869.106 Base-Backbone interact. energy: -5.915 local terms energy: -907.244591 where: bonds (distance) C4'-P energy: -170.322 bonds (distance) P-C4' energy: -159.021 flat angles C4'-P-C4' energy: -203.577 flat angles P-C4'-P energy: -128.567 tors. eta vs tors. theta energy: -245.758 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: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2581.465509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.465509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.465509 (E_RNA) where: Base-Base interactions energy: -1736.136 where: short stacking energy: -795.271 Base-Backbone interact. energy: -0.544 local terms energy: -844.785623 where: bonds (distance) C4'-P energy: -146.108 bonds (distance) P-C4' energy: -179.358 flat angles C4'-P-C4' energy: -171.533 flat angles P-C4'-P energy: -124.064 tors. eta vs tors. theta energy: -223.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2335.700903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.700903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.700903 (E_RNA) where: Base-Base interactions energy: -1523.876 where: short stacking energy: -706.948 Base-Backbone interact. energy: -2.291 local terms energy: -809.533980 where: bonds (distance) C4'-P energy: -160.181 bonds (distance) P-C4' energy: -163.643 flat angles C4'-P-C4' energy: -183.350 flat angles P-C4'-P energy: -118.064 tors. eta vs tors. theta energy: -184.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2005.990752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.990752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.990752 (E_RNA) where: Base-Base interactions energy: -1313.250 where: short stacking energy: -637.499 Base-Backbone interact. energy: 1.754 local terms energy: -694.495164 where: bonds (distance) C4'-P energy: -139.945 bonds (distance) P-C4' energy: -161.752 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -156.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1639.260467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.260467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.260467 (E_RNA) where: Base-Base interactions energy: -973.067 where: short stacking energy: -465.330 Base-Backbone interact. energy: -1.618 local terms energy: -664.575052 where: bonds (distance) C4'-P energy: -140.300 bonds (distance) P-C4' energy: -167.684 flat angles C4'-P-C4' energy: -171.527 flat angles P-C4'-P energy: -88.034 tors. eta vs tors. theta energy: -97.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1264.248748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.248748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.248748 (E_RNA) where: Base-Base interactions energy: -705.427 where: short stacking energy: -371.099 Base-Backbone interact. energy: -4.540 local terms energy: -554.281329 where: bonds (distance) C4'-P energy: -130.906 bonds (distance) P-C4' energy: -151.179 flat angles C4'-P-C4' energy: -130.848 flat angles P-C4'-P energy: -102.962 tors. eta vs tors. theta energy: -38.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -674.567888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.567888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.567888 (E_RNA) where: Base-Base interactions energy: -222.653 where: short stacking energy: -165.589 Base-Backbone interact. energy: 6.009 local terms energy: -457.923058 where: bonds (distance) C4'-P energy: -135.484 bonds (distance) P-C4' energy: -146.482 flat angles C4'-P-C4' energy: -150.881 flat angles P-C4'-P energy: -56.532 tors. eta vs tors. theta energy: 31.457 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: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3183.939687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.939687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.939687 (E_RNA) where: Base-Base interactions energy: -2164.781 where: short stacking energy: -963.768 Base-Backbone interact. energy: -2.271 local terms energy: -1016.888417 where: bonds (distance) C4'-P energy: -186.063 bonds (distance) P-C4' energy: -199.038 flat angles C4'-P-C4' energy: -211.526 flat angles P-C4'-P energy: -135.951 tors. eta vs tors. theta energy: -284.310 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: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3071.048052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.048052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.048052 (E_RNA) where: Base-Base interactions energy: -2059.795 where: short stacking energy: -959.409 Base-Backbone interact. energy: -2.311 local terms energy: -1008.942293 where: bonds (distance) C4'-P energy: -172.505 bonds (distance) P-C4' energy: -176.200 flat angles C4'-P-C4' energy: -211.614 flat angles P-C4'-P energy: -146.339 tors. eta vs tors. theta energy: -302.284 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: 5 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2941.914015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.914015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.914015 (E_RNA) where: Base-Base interactions energy: -2025.678 where: short stacking energy: -918.938 Base-Backbone interact. energy: -4.966 local terms energy: -911.269359 where: bonds (distance) C4'-P energy: -176.798 bonds (distance) P-C4' energy: -148.596 flat angles C4'-P-C4' energy: -195.709 flat angles P-C4'-P energy: -115.754 tors. eta vs tors. theta energy: -274.411 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: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2889.473944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.473944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.473944 (E_RNA) where: Base-Base interactions energy: -1984.923 where: short stacking energy: -876.284 Base-Backbone interact. energy: -6.744 local terms energy: -897.807752 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -156.663 flat angles C4'-P-C4' energy: -199.814 flat angles P-C4'-P energy: -139.005 tors. eta vs tors. theta energy: -250.621 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2624.947011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.947011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.947011 (E_RNA) where: Base-Base interactions energy: -1776.735 where: short stacking energy: -793.007 Base-Backbone interact. energy: -1.609 local terms energy: -846.603200 where: bonds (distance) C4'-P energy: -155.714 bonds (distance) P-C4' energy: -165.783 flat angles C4'-P-C4' energy: -189.018 flat angles P-C4'-P energy: -115.264 tors. eta vs tors. theta energy: -220.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2415.315237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.315237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.315237 (E_RNA) where: Base-Base interactions energy: -1597.255 where: short stacking energy: -719.661 Base-Backbone interact. energy: -5.210 local terms energy: -812.850118 where: bonds (distance) C4'-P energy: -155.888 bonds (distance) P-C4' energy: -168.296 flat angles C4'-P-C4' energy: -181.016 flat angles P-C4'-P energy: -122.224 tors. eta vs tors. theta energy: -185.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1937.408347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.408347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.408347 (E_RNA) where: Base-Base interactions energy: -1245.716 where: short stacking energy: -602.609 Base-Backbone interact. energy: -0.745 local terms energy: -690.946476 where: bonds (distance) C4'-P energy: -162.296 bonds (distance) P-C4' energy: -142.011 flat angles C4'-P-C4' energy: -153.425 flat angles P-C4'-P energy: -105.838 tors. eta vs tors. theta energy: -127.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1620.346609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.346609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.346609 (E_RNA) where: Base-Base interactions energy: -976.740 where: short stacking energy: -469.091 Base-Backbone interact. energy: 1.782 local terms energy: -645.388257 where: bonds (distance) C4'-P energy: -137.838 bonds (distance) P-C4' energy: -158.678 flat angles C4'-P-C4' energy: -154.795 flat angles P-C4'-P energy: -99.035 tors. eta vs tors. theta energy: -95.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1301.383704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.383704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.383704 (E_RNA) where: Base-Base interactions energy: -734.827 where: short stacking energy: -361.011 Base-Backbone interact. energy: -4.159 local terms energy: -562.397993 where: bonds (distance) C4'-P energy: -141.161 bonds (distance) P-C4' energy: -153.769 flat angles C4'-P-C4' energy: -130.948 flat angles P-C4'-P energy: -84.814 tors. eta vs tors. theta energy: -51.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -722.395526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.395526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.395526 (E_RNA) where: Base-Base interactions energy: -273.718 where: short stacking energy: -229.793 Base-Backbone interact. energy: 0.720 local terms energy: -449.398155 where: bonds (distance) C4'-P energy: -102.659 bonds (distance) P-C4' energy: -116.758 flat angles C4'-P-C4' energy: -155.173 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: 15.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3171.762477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.762477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.762477 (E_RNA) where: Base-Base interactions energy: -2157.997 where: short stacking energy: -918.408 Base-Backbone interact. energy: -3.712 local terms energy: -1010.053936 where: bonds (distance) C4'-P energy: -175.140 bonds (distance) P-C4' energy: -199.225 flat angles C4'-P-C4' energy: -215.745 flat angles P-C4'-P energy: -154.490 tors. eta vs tors. theta energy: -265.453 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: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3052.666809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.666809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.666809 (E_RNA) where: Base-Base interactions energy: -2058.833 where: short stacking energy: -975.699 Base-Backbone interact. energy: -1.886 local terms energy: -991.947775 where: bonds (distance) C4'-P energy: -169.003 bonds (distance) P-C4' energy: -182.482 flat angles C4'-P-C4' energy: -203.413 flat angles P-C4'-P energy: -139.333 tors. eta vs tors. theta energy: -297.716 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: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2955.040096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.040096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.040096 (E_RNA) where: Base-Base interactions energy: -2029.651 where: short stacking energy: -901.508 Base-Backbone interact. energy: -3.584 local terms energy: -921.804993 where: bonds (distance) C4'-P energy: -162.407 bonds (distance) P-C4' energy: -180.573 flat angles C4'-P-C4' energy: -203.250 flat angles P-C4'-P energy: -124.280 tors. eta vs tors. theta energy: -251.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2810.503906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.503906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.503906 (E_RNA) where: Base-Base interactions energy: -1893.409 where: short stacking energy: -835.373 Base-Backbone interact. energy: -4.380 local terms energy: -912.714701 where: bonds (distance) C4'-P energy: -161.927 bonds (distance) P-C4' energy: -176.058 flat angles C4'-P-C4' energy: -201.674 flat angles P-C4'-P energy: -126.938 tors. eta vs tors. theta energy: -246.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2640.789061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.789061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.789061 (E_RNA) where: Base-Base interactions energy: -1770.756 where: short stacking energy: -808.440 Base-Backbone interact. energy: -4.108 local terms energy: -865.925157 where: bonds (distance) C4'-P energy: -168.564 bonds (distance) P-C4' energy: -176.382 flat angles C4'-P-C4' energy: -188.153 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -240.503 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: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2386.691429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.691429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.691429 (E_RNA) where: Base-Base interactions energy: -1603.595 where: short stacking energy: -693.467 Base-Backbone interact. energy: -0.205 local terms energy: -782.891261 where: bonds (distance) C4'-P energy: -150.402 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -186.091 flat angles P-C4'-P energy: -124.370 tors. eta vs tors. theta energy: -188.023 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: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1987.328108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.328108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.328108 (E_RNA) where: Base-Base interactions energy: -1277.343 where: short stacking energy: -609.223 Base-Backbone interact. energy: 0.696 local terms energy: -710.681085 where: bonds (distance) C4'-P energy: -151.918 bonds (distance) P-C4' energy: -150.360 flat angles C4'-P-C4' energy: -170.102 flat angles P-C4'-P energy: -98.368 tors. eta vs tors. theta energy: -139.933 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: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1552.876656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.876656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.876656 (E_RNA) where: Base-Base interactions energy: -937.470 where: short stacking energy: -465.741 Base-Backbone interact. energy: -5.707 local terms energy: -609.699922 where: bonds (distance) C4'-P energy: -148.556 bonds (distance) P-C4' energy: -164.780 flat angles C4'-P-C4' energy: -142.995 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -85.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1235.825756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.825756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.825756 (E_RNA) where: Base-Base interactions energy: -675.143 where: short stacking energy: -353.388 Base-Backbone interact. energy: -1.445 local terms energy: -559.237751 where: bonds (distance) C4'-P energy: -151.685 bonds (distance) P-C4' energy: -156.295 flat angles C4'-P-C4' energy: -159.515 flat angles P-C4'-P energy: -78.262 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: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -752.112047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.112047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.112047 (E_RNA) where: Base-Base interactions energy: -273.023 where: short stacking energy: -176.217 Base-Backbone interact. energy: 0.555 local terms energy: -479.643676 where: bonds (distance) C4'-P energy: -151.025 bonds (distance) P-C4' energy: -165.588 flat angles C4'-P-C4' energy: -128.008 flat angles P-C4'-P energy: -75.068 tors. eta vs tors. theta energy: 40.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3169.788046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.788046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.788046 (E_RNA) where: Base-Base interactions energy: -2149.240 where: short stacking energy: -924.158 Base-Backbone interact. energy: -4.970 local terms energy: -1015.577781 where: bonds (distance) C4'-P energy: -186.630 bonds (distance) P-C4' energy: -196.196 flat angles C4'-P-C4' energy: -215.884 flat angles P-C4'-P energy: -144.350 tors. eta vs tors. theta energy: -272.518 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: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3090.920015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.920015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.920015 (E_RNA) where: Base-Base interactions energy: -2078.652 where: short stacking energy: -955.244 Base-Backbone interact. energy: -2.084 local terms energy: -1010.184045 where: bonds (distance) C4'-P energy: -175.793 bonds (distance) P-C4' energy: -194.308 flat angles C4'-P-C4' energy: -216.857 flat angles P-C4'-P energy: -140.457 tors. eta vs tors. theta energy: -282.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2979.057465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.057465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.057465 (E_RNA) where: Base-Base interactions energy: -2052.423 where: short stacking energy: -908.574 Base-Backbone interact. energy: -6.057 local terms energy: -920.577510 where: bonds (distance) C4'-P energy: -158.167 bonds (distance) P-C4' energy: -171.960 flat angles C4'-P-C4' energy: -203.739 flat angles P-C4'-P energy: -131.158 tors. eta vs tors. theta energy: -255.553 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: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2890.029438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.029438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.029438 (E_RNA) where: Base-Base interactions energy: -1934.456 where: short stacking energy: -855.313 Base-Backbone interact. energy: -1.121 local terms energy: -954.453302 where: bonds (distance) C4'-P energy: -170.983 bonds (distance) P-C4' energy: -182.662 flat angles C4'-P-C4' energy: -213.479 flat angles P-C4'-P energy: -130.540 tors. eta vs tors. theta energy: -256.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2585.117339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.117339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.117339 (E_RNA) where: Base-Base interactions energy: -1748.273 where: short stacking energy: -789.496 Base-Backbone interact. energy: -1.311 local terms energy: -835.533813 where: bonds (distance) C4'-P energy: -152.421 bonds (distance) P-C4' energy: -155.896 flat angles C4'-P-C4' energy: -170.753 flat angles P-C4'-P energy: -119.626 tors. eta vs tors. theta energy: -236.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2463.858204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.858204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.858204 (E_RNA) where: Base-Base interactions energy: -1672.844 where: short stacking energy: -714.153 Base-Backbone interact. energy: -0.908 local terms energy: -790.106698 where: bonds (distance) C4'-P energy: -127.221 bonds (distance) P-C4' energy: -159.639 flat angles C4'-P-C4' energy: -187.778 flat angles P-C4'-P energy: -124.404 tors. eta vs tors. theta energy: -191.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1961.308311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.308311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.308311 (E_RNA) where: Base-Base interactions energy: -1233.819 where: short stacking energy: -580.243 Base-Backbone interact. energy: 2.587 local terms energy: -730.076919 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -176.808 flat angles C4'-P-C4' energy: -171.938 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -147.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1533.224076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.224076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.224076 (E_RNA) where: Base-Base interactions energy: -911.997 where: short stacking energy: -446.255 Base-Backbone interact. energy: 1.798 local terms energy: -623.025289 where: bonds (distance) C4'-P energy: -136.943 bonds (distance) P-C4' energy: -155.255 flat angles C4'-P-C4' energy: -159.113 flat angles P-C4'-P energy: -85.645 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: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1190.055093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.055093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.055093 (E_RNA) where: Base-Base interactions energy: -638.742 where: short stacking energy: -342.171 Base-Backbone interact. energy: -2.460 local terms energy: -548.852186 where: bonds (distance) C4'-P energy: -143.401 bonds (distance) P-C4' energy: -147.941 flat angles C4'-P-C4' energy: -141.966 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -32.457 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: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -699.593432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.593432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.593432 (E_RNA) where: Base-Base interactions energy: -285.248 where: short stacking energy: -202.562 Base-Backbone interact. energy: 2.654 local terms energy: -416.998904 where: bonds (distance) C4'-P energy: -142.357 bonds (distance) P-C4' energy: -151.194 flat angles C4'-P-C4' energy: -115.971 flat angles P-C4'-P energy: -46.333 tors. eta vs tors. theta energy: 38.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3170.958411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.958411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.958411 (E_RNA) where: Base-Base interactions energy: -2173.621 where: short stacking energy: -949.240 Base-Backbone interact. energy: -2.577 local terms energy: -994.760470 where: bonds (distance) C4'-P energy: -172.033 bonds (distance) P-C4' energy: -187.717 flat angles C4'-P-C4' energy: -207.393 flat angles P-C4'-P energy: -145.148 tors. eta vs tors. theta energy: -282.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3066.213914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.213914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.213914 (E_RNA) where: Base-Base interactions energy: -2074.423 where: short stacking energy: -961.953 Base-Backbone interact. energy: -4.066 local terms energy: -987.724192 where: bonds (distance) C4'-P energy: -171.683 bonds (distance) P-C4' energy: -175.170 flat angles C4'-P-C4' energy: -206.402 flat angles P-C4'-P energy: -151.326 tors. eta vs tors. theta energy: -283.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -3000.134938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.134938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.134938 (E_RNA) where: Base-Base interactions energy: -2073.235 where: short stacking energy: -916.530 Base-Backbone interact. energy: 1.306 local terms energy: -928.206037 where: bonds (distance) C4'-P energy: -182.515 bonds (distance) P-C4' energy: -173.115 flat angles C4'-P-C4' energy: -181.531 flat angles P-C4'-P energy: -127.296 tors. eta vs tors. theta energy: -263.749 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: 446 Temperature: 1.050000 Total energy: -2824.495661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.495661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.495661 (E_RNA) where: Base-Base interactions energy: -1914.082 where: short stacking energy: -839.539 Base-Backbone interact. energy: 2.170 local terms energy: -912.583778 where: bonds (distance) C4'-P energy: -169.579 bonds (distance) P-C4' energy: -159.861 flat angles C4'-P-C4' energy: -195.330 flat angles P-C4'-P energy: -126.618 tors. eta vs tors. theta energy: -261.196 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: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2574.268554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.268554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.268554 (E_RNA) where: Base-Base interactions energy: -1708.469 where: short stacking energy: -767.754 Base-Backbone interact. energy: -1.579 local terms energy: -864.220662 where: bonds (distance) C4'-P energy: -159.989 bonds (distance) P-C4' energy: -174.426 flat angles C4'-P-C4' energy: -199.142 flat angles P-C4'-P energy: -113.496 tors. eta vs tors. theta energy: -217.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2487.661543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.661543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.661543 (E_RNA) where: Base-Base interactions energy: -1698.552 where: short stacking energy: -752.859 Base-Backbone interact. energy: -2.166 local terms energy: -786.943303 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -157.363 flat angles C4'-P-C4' energy: -156.024 flat angles P-C4'-P energy: -124.377 tors. eta vs tors. theta energy: -207.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2005.278543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.278543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.278543 (E_RNA) where: Base-Base interactions energy: -1322.355 where: short stacking energy: -620.477 Base-Backbone interact. energy: 3.603 local terms energy: -686.525940 where: bonds (distance) C4'-P energy: -134.918 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -159.730 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -141.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1554.728777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.728777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.728777 (E_RNA) where: Base-Base interactions energy: -918.225 where: short stacking energy: -482.913 Base-Backbone interact. energy: -5.189 local terms energy: -631.315204 where: bonds (distance) C4'-P energy: -166.884 bonds (distance) P-C4' energy: -136.264 flat angles C4'-P-C4' energy: -148.227 flat angles P-C4'-P energy: -97.031 tors. eta vs tors. theta energy: -82.909 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: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1238.696872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.696872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.696872 (E_RNA) where: Base-Base interactions energy: -690.843 where: short stacking energy: -371.922 Base-Backbone interact. energy: -0.444 local terms energy: -547.409415 where: bonds (distance) C4'-P energy: -137.442 bonds (distance) P-C4' energy: -151.515 flat angles C4'-P-C4' energy: -151.195 flat angles P-C4'-P energy: -78.704 tors. eta vs tors. theta energy: -28.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -751.841608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.841608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.841608 (E_RNA) where: Base-Base interactions energy: -288.654 where: short stacking energy: -227.077 Base-Backbone interact. energy: 3.892 local terms energy: -467.079423 where: bonds (distance) C4'-P energy: -122.815 bonds (distance) P-C4' energy: -155.148 flat angles C4'-P-C4' energy: -125.325 flat angles P-C4'-P energy: -85.165 tors. eta vs tors. theta energy: 21.374 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: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3155.354472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.354472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.354472 (E_RNA) where: Base-Base interactions energy: -2175.423 where: short stacking energy: -940.171 Base-Backbone interact. energy: -0.768 local terms energy: -979.164226 where: bonds (distance) C4'-P energy: -181.772 bonds (distance) P-C4' energy: -169.130 flat angles C4'-P-C4' energy: -211.859 flat angles P-C4'-P energy: -146.376 tors. eta vs tors. theta energy: -270.027 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: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3049.828598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.828598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.828598 (E_RNA) where: Base-Base interactions energy: -2055.272 where: short stacking energy: -935.496 Base-Backbone interact. energy: -3.415 local terms energy: -991.141276 where: bonds (distance) C4'-P energy: -183.255 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -214.816 flat angles P-C4'-P energy: -151.627 tors. eta vs tors. theta energy: -274.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2920.529063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.529063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.529063 (E_RNA) where: Base-Base interactions energy: -2009.889 where: short stacking energy: -888.397 Base-Backbone interact. energy: -2.868 local terms energy: -907.771686 where: bonds (distance) C4'-P energy: -158.959 bonds (distance) P-C4' energy: -179.407 flat angles C4'-P-C4' energy: -202.364 flat angles P-C4'-P energy: -131.600 tors. eta vs tors. theta energy: -235.442 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: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2837.528692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.528692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.528692 (E_RNA) where: Base-Base interactions energy: -1893.195 where: short stacking energy: -845.033 Base-Backbone interact. energy: -3.928 local terms energy: -940.405941 where: bonds (distance) C4'-P energy: -172.117 bonds (distance) P-C4' energy: -175.764 flat angles C4'-P-C4' energy: -197.690 flat angles P-C4'-P energy: -139.973 tors. eta vs tors. theta energy: -254.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2603.843174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.843174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.843174 (E_RNA) where: Base-Base interactions energy: -1720.087 where: short stacking energy: -787.064 Base-Backbone interact. energy: -3.363 local terms energy: -880.393451 where: bonds (distance) C4'-P energy: -151.185 bonds (distance) P-C4' energy: -159.269 flat angles C4'-P-C4' energy: -217.526 flat angles P-C4'-P energy: -131.035 tors. eta vs tors. theta energy: -221.378 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: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2388.072973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.072973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.072973 (E_RNA) where: Base-Base interactions energy: -1611.036 where: short stacking energy: -714.886 Base-Backbone interact. energy: -4.412 local terms energy: -772.624842 where: bonds (distance) C4'-P energy: -152.495 bonds (distance) P-C4' energy: -164.643 flat angles C4'-P-C4' energy: -168.849 flat angles P-C4'-P energy: -101.840 tors. eta vs tors. theta energy: -184.798 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: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2038.510947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.510947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.510947 (E_RNA) where: Base-Base interactions energy: -1304.802 where: short stacking energy: -617.676 Base-Backbone interact. energy: -1.877 local terms energy: -731.832078 where: bonds (distance) C4'-P energy: -165.673 bonds (distance) P-C4' energy: -129.370 flat angles C4'-P-C4' energy: -179.108 flat angles P-C4'-P energy: -107.329 tors. eta vs tors. theta energy: -150.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1524.006606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.006606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.006606 (E_RNA) where: Base-Base interactions energy: -906.702 where: short stacking energy: -471.239 Base-Backbone interact. energy: -1.550 local terms energy: -615.754630 where: bonds (distance) C4'-P energy: -149.329 bonds (distance) P-C4' energy: -149.179 flat angles C4'-P-C4' energy: -147.100 flat angles P-C4'-P energy: -95.943 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: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1236.477507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.477507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.477507 (E_RNA) where: Base-Base interactions energy: -678.144 where: short stacking energy: -345.392 Base-Backbone interact. energy: -3.860 local terms energy: -554.473256 where: bonds (distance) C4'-P energy: -137.008 bonds (distance) P-C4' energy: -144.019 flat angles C4'-P-C4' energy: -144.078 flat angles P-C4'-P energy: -90.101 tors. eta vs tors. theta energy: -39.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -759.825757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.825757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.825757 (E_RNA) where: Base-Base interactions energy: -303.188 where: short stacking energy: -219.080 Base-Backbone interact. energy: -3.163 local terms energy: -453.474988 where: bonds (distance) C4'-P energy: -146.240 bonds (distance) P-C4' energy: -182.941 flat angles C4'-P-C4' energy: -98.293 flat angles P-C4'-P energy: -64.576 tors. eta vs tors. theta energy: 38.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3187.930779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.930779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.930779 (E_RNA) where: Base-Base interactions energy: -2192.142 where: short stacking energy: -962.341 Base-Backbone interact. energy: 0.700 local terms energy: -996.488911 where: bonds (distance) C4'-P energy: -187.243 bonds (distance) P-C4' energy: -190.980 flat angles C4'-P-C4' energy: -207.009 flat angles P-C4'-P energy: -141.214 tors. eta vs tors. theta energy: -270.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3029.322878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.322878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.322878 (E_RNA) where: Base-Base interactions energy: -2059.887 where: short stacking energy: -931.482 Base-Backbone interact. energy: -4.485 local terms energy: -964.950835 where: bonds (distance) C4'-P energy: -186.735 bonds (distance) P-C4' energy: -166.506 flat angles C4'-P-C4' energy: -206.635 flat angles P-C4'-P energy: -123.619 tors. eta vs tors. theta energy: -281.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2990.945346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.945346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.945346 (E_RNA) where: Base-Base interactions energy: -2049.730 where: short stacking energy: -935.955 Base-Backbone interact. energy: -3.917 local terms energy: -937.298335 where: bonds (distance) C4'-P energy: -165.400 bonds (distance) P-C4' energy: -187.249 flat angles C4'-P-C4' energy: -206.923 flat angles P-C4'-P energy: -121.156 tors. eta vs tors. theta energy: -256.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2843.992847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.992847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.992847 (E_RNA) where: Base-Base interactions energy: -1928.587 where: short stacking energy: -822.004 Base-Backbone interact. energy: 0.752 local terms energy: -916.157659 where: bonds (distance) C4'-P energy: -155.159 bonds (distance) P-C4' energy: -188.891 flat angles C4'-P-C4' energy: -192.447 flat angles P-C4'-P energy: -129.705 tors. eta vs tors. theta energy: -249.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2656.018116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.018116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.018116 (E_RNA) where: Base-Base interactions energy: -1782.702 where: short stacking energy: -814.620 Base-Backbone interact. energy: 3.500 local terms energy: -876.815912 where: bonds (distance) C4'-P energy: -160.911 bonds (distance) P-C4' energy: -164.108 flat angles C4'-P-C4' energy: -187.855 flat angles P-C4'-P energy: -122.990 tors. eta vs tors. theta energy: -240.953 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: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2339.264490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.264490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.264490 (E_RNA) where: Base-Base interactions energy: -1561.709 where: short stacking energy: -695.905 Base-Backbone interact. energy: -3.090 local terms energy: -774.465571 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -155.714 flat angles C4'-P-C4' energy: -160.303 flat angles P-C4'-P energy: -121.988 tors. eta vs tors. theta energy: -181.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1999.454188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.454188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.454188 (E_RNA) where: Base-Base interactions energy: -1258.802 where: short stacking energy: -604.054 Base-Backbone interact. energy: 3.266 local terms energy: -743.918402 where: bonds (distance) C4'-P energy: -183.505 bonds (distance) P-C4' energy: -159.630 flat angles C4'-P-C4' energy: -158.602 flat angles P-C4'-P energy: -92.320 tors. eta vs tors. theta energy: -149.861 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: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1581.003108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.003108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.003108 (E_RNA) where: Base-Base interactions energy: -937.383 where: short stacking energy: -446.298 Base-Backbone interact. energy: 0.776 local terms energy: -644.396072 where: bonds (distance) C4'-P energy: -140.475 bonds (distance) P-C4' energy: -179.610 flat angles C4'-P-C4' energy: -139.860 flat angles P-C4'-P energy: -101.274 tors. eta vs tors. theta energy: -83.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1180.478948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.478948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.478948 (E_RNA) where: Base-Base interactions energy: -652.053 where: short stacking energy: -321.463 Base-Backbone interact. energy: -2.493 local terms energy: -525.932918 where: bonds (distance) C4'-P energy: -121.068 bonds (distance) P-C4' energy: -157.931 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -81.700 tors. eta vs tors. theta energy: -28.967 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: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -764.037917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.037917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.037917 (E_RNA) where: Base-Base interactions energy: -301.099 where: short stacking energy: -208.944 Base-Backbone interact. energy: 6.551 local terms energy: -469.489539 where: bonds (distance) C4'-P energy: -155.472 bonds (distance) P-C4' energy: -143.533 flat angles C4'-P-C4' energy: -139.088 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: 34.904 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: 1, replica: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3201.533439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.533439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.533439 (E_RNA) where: Base-Base interactions energy: -2196.473 where: short stacking energy: -948.089 Base-Backbone interact. energy: -1.722 local terms energy: -1003.339206 where: bonds (distance) C4'-P energy: -176.485 bonds (distance) P-C4' energy: -170.385 flat angles C4'-P-C4' energy: -218.380 flat angles P-C4'-P energy: -161.495 tors. eta vs tors. theta energy: -276.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3041.161178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.161178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.161178 (E_RNA) where: Base-Base interactions energy: -2082.159 where: short stacking energy: -981.733 Base-Backbone interact. energy: -2.265 local terms energy: -956.737515 where: bonds (distance) C4'-P energy: -164.734 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -213.969 flat angles P-C4'-P energy: -139.815 tors. eta vs tors. theta energy: -278.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2960.157824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.157824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.157824 (E_RNA) where: Base-Base interactions energy: -2044.310 where: short stacking energy: -916.105 Base-Backbone interact. energy: 1.778 local terms energy: -917.625920 where: bonds (distance) C4'-P energy: -171.147 bonds (distance) P-C4' energy: -174.512 flat angles C4'-P-C4' energy: -189.435 flat angles P-C4'-P energy: -123.102 tors. eta vs tors. theta energy: -259.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2807.293969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.293969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.293969 (E_RNA) where: Base-Base interactions energy: -1924.294 where: short stacking energy: -861.111 Base-Backbone interact. energy: 3.422 local terms energy: -886.421976 where: bonds (distance) C4'-P energy: -173.341 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -200.933 flat angles P-C4'-P energy: -117.667 tors. eta vs tors. theta energy: -235.914 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: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2608.214740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.214740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.214740 (E_RNA) where: Base-Base interactions energy: -1711.978 where: short stacking energy: -810.762 Base-Backbone interact. energy: 4.101 local terms energy: -900.337724 where: bonds (distance) C4'-P energy: -171.826 bonds (distance) P-C4' energy: -163.135 flat angles C4'-P-C4' energy: -189.622 flat angles P-C4'-P energy: -137.810 tors. eta vs tors. theta energy: -237.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2350.976308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.976308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.976308 (E_RNA) where: Base-Base interactions energy: -1552.168 where: short stacking energy: -690.752 Base-Backbone interact. energy: 7.385 local terms energy: -806.193420 where: bonds (distance) C4'-P energy: -171.933 bonds (distance) P-C4' energy: -170.546 flat angles C4'-P-C4' energy: -170.071 flat angles P-C4'-P energy: -116.768 tors. eta vs tors. theta energy: -176.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1880.285059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.285059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.285059 (E_RNA) where: Base-Base interactions energy: -1184.016 where: short stacking energy: -558.784 Base-Backbone interact. energy: -0.650 local terms energy: -695.618687 where: bonds (distance) C4'-P energy: -161.856 bonds (distance) P-C4' energy: -139.758 flat angles C4'-P-C4' energy: -149.665 flat angles P-C4'-P energy: -107.196 tors. eta vs tors. theta energy: -137.145 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: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1567.532237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.532237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.532237 (E_RNA) where: Base-Base interactions energy: -919.625 where: short stacking energy: -453.239 Base-Backbone interact. energy: -3.727 local terms energy: -644.179961 where: bonds (distance) C4'-P energy: -137.720 bonds (distance) P-C4' energy: -158.898 flat angles C4'-P-C4' energy: -141.614 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -94.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1148.095323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.095323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.095323 (E_RNA) where: Base-Base interactions energy: -595.480 where: short stacking energy: -334.225 Base-Backbone interact. energy: -1.511 local terms energy: -551.104568 where: bonds (distance) C4'-P energy: -143.417 bonds (distance) P-C4' energy: -165.740 flat angles C4'-P-C4' energy: -152.086 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -22.244 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: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -749.701114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.701114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.701114 (E_RNA) where: Base-Base interactions energy: -326.108 where: short stacking energy: -237.172 Base-Backbone interact. energy: 8.789 local terms energy: -432.382944 where: bonds (distance) C4'-P energy: -136.369 bonds (distance) P-C4' energy: -150.294 flat angles C4'-P-C4' energy: -115.254 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: 38.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3151.799169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.799169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.799169 (E_RNA) where: Base-Base interactions energy: -2133.243 where: short stacking energy: -937.890 Base-Backbone interact. energy: -2.530 local terms energy: -1016.025958 where: bonds (distance) C4'-P energy: -186.772 bonds (distance) P-C4' energy: -192.646 flat angles C4'-P-C4' energy: -221.772 flat angles P-C4'-P energy: -147.093 tors. eta vs tors. theta energy: -267.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3066.226564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.226564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.226564 (E_RNA) where: Base-Base interactions energy: -2081.227 where: short stacking energy: -972.178 Base-Backbone interact. energy: -0.337 local terms energy: -984.662986 where: bonds (distance) C4'-P energy: -170.697 bonds (distance) P-C4' energy: -182.228 flat angles C4'-P-C4' energy: -201.293 flat angles P-C4'-P energy: -147.349 tors. eta vs tors. theta energy: -283.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2941.887798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.887798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.887798 (E_RNA) where: Base-Base interactions energy: -1989.534 where: short stacking energy: -892.099 Base-Backbone interact. energy: -4.138 local terms energy: -948.216188 where: bonds (distance) C4'-P energy: -177.096 bonds (distance) P-C4' energy: -188.951 flat angles C4'-P-C4' energy: -209.163 flat angles P-C4'-P energy: -113.267 tors. eta vs tors. theta energy: -259.739 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: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2848.110821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.110821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.110821 (E_RNA) where: Base-Base interactions energy: -1913.179 where: short stacking energy: -864.357 Base-Backbone interact. energy: -1.414 local terms energy: -933.517818 where: bonds (distance) C4'-P energy: -162.135 bonds (distance) P-C4' energy: -177.491 flat angles C4'-P-C4' energy: -198.512 flat angles P-C4'-P energy: -135.924 tors. eta vs tors. theta energy: -259.456 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: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2574.661012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.661012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.661012 (E_RNA) where: Base-Base interactions energy: -1729.148 where: short stacking energy: -797.386 Base-Backbone interact. energy: -4.318 local terms energy: -841.194788 where: bonds (distance) C4'-P energy: -148.479 bonds (distance) P-C4' energy: -178.760 flat angles C4'-P-C4' energy: -174.662 flat angles P-C4'-P energy: -120.380 tors. eta vs tors. theta energy: -218.914 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: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2355.216164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.216164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.216164 (E_RNA) where: Base-Base interactions energy: -1566.006 where: short stacking energy: -713.260 Base-Backbone interact. energy: -3.809 local terms energy: -785.401022 where: bonds (distance) C4'-P energy: -146.315 bonds (distance) P-C4' energy: -153.868 flat angles C4'-P-C4' energy: -182.242 flat angles P-C4'-P energy: -111.704 tors. eta vs tors. theta energy: -191.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1972.736024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.736024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.736024 (E_RNA) where: Base-Base interactions energy: -1254.857 where: short stacking energy: -588.826 Base-Backbone interact. energy: -2.078 local terms energy: -715.801691 where: bonds (distance) C4'-P energy: -142.598 bonds (distance) P-C4' energy: -175.155 flat angles C4'-P-C4' energy: -153.468 flat angles P-C4'-P energy: -106.410 tors. eta vs tors. theta energy: -138.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1524.922253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.922253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.922253 (E_RNA) where: Base-Base interactions energy: -912.606 where: short stacking energy: -471.378 Base-Backbone interact. energy: 3.907 local terms energy: -616.223482 where: bonds (distance) C4'-P energy: -157.779 bonds (distance) P-C4' energy: -141.113 flat angles C4'-P-C4' energy: -151.078 flat angles P-C4'-P energy: -88.875 tors. eta vs tors. theta energy: -77.379 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: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1253.474035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.474035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.474035 (E_RNA) where: Base-Base interactions energy: -675.642 where: short stacking energy: -349.730 Base-Backbone interact. energy: 0.723 local terms energy: -578.554765 where: bonds (distance) C4'-P energy: -147.579 bonds (distance) P-C4' energy: -165.913 flat angles C4'-P-C4' energy: -148.648 flat angles P-C4'-P energy: -96.988 tors. eta vs tors. theta energy: -19.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -789.990046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.990046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.990046 (E_RNA) where: Base-Base interactions energy: -325.571 where: short stacking energy: -205.535 Base-Backbone interact. energy: 2.353 local terms energy: -466.772752 where: bonds (distance) C4'-P energy: -150.242 bonds (distance) P-C4' energy: -154.826 flat angles C4'-P-C4' energy: -124.359 flat angles P-C4'-P energy: -67.555 tors. eta vs tors. theta energy: 30.209 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: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3120.134782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.134782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.134782 (E_RNA) where: Base-Base interactions energy: -2129.400 where: short stacking energy: -936.183 Base-Backbone interact. energy: -1.949 local terms energy: -988.786105 where: bonds (distance) C4'-P energy: -175.622 bonds (distance) P-C4' energy: -187.301 flat angles C4'-P-C4' energy: -209.623 flat angles P-C4'-P energy: -148.825 tors. eta vs tors. theta energy: -267.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3044.105585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.105585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.105585 (E_RNA) where: Base-Base interactions energy: -2070.470 where: short stacking energy: -944.151 Base-Backbone interact. energy: -2.286 local terms energy: -971.349761 where: bonds (distance) C4'-P energy: -169.731 bonds (distance) P-C4' energy: -176.533 flat angles C4'-P-C4' energy: -203.824 flat angles P-C4'-P energy: -135.790 tors. eta vs tors. theta energy: -285.471 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: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2953.357922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.357922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.357922 (E_RNA) where: Base-Base interactions energy: -2026.159 where: short stacking energy: -914.165 Base-Backbone interact. energy: -2.266 local terms energy: -924.932801 where: bonds (distance) C4'-P energy: -159.758 bonds (distance) P-C4' energy: -177.098 flat angles C4'-P-C4' energy: -198.444 flat angles P-C4'-P energy: -123.596 tors. eta vs tors. theta energy: -266.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2849.653218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.653218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.653218 (E_RNA) where: Base-Base interactions energy: -1932.792 where: short stacking energy: -869.027 Base-Backbone interact. energy: 3.972 local terms energy: -920.834009 where: bonds (distance) C4'-P energy: -169.590 bonds (distance) P-C4' energy: -185.296 flat angles C4'-P-C4' energy: -177.620 flat angles P-C4'-P energy: -135.374 tors. eta vs tors. theta energy: -252.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2568.237705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.237705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.237705 (E_RNA) where: Base-Base interactions energy: -1701.362 where: short stacking energy: -791.778 Base-Backbone interact. energy: 2.125 local terms energy: -869.000483 where: bonds (distance) C4'-P energy: -151.544 bonds (distance) P-C4' energy: -175.855 flat angles C4'-P-C4' energy: -186.586 flat angles P-C4'-P energy: -118.589 tors. eta vs tors. theta energy: -236.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2354.143814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.143814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.143814 (E_RNA) where: Base-Base interactions energy: -1581.761 where: short stacking energy: -710.863 Base-Backbone interact. energy: -0.690 local terms energy: -771.692541 where: bonds (distance) C4'-P energy: -160.705 bonds (distance) P-C4' energy: -159.730 flat angles C4'-P-C4' energy: -155.446 flat angles P-C4'-P energy: -113.490 tors. eta vs tors. theta energy: -182.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1985.396139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.396139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.396139 (E_RNA) where: Base-Base interactions energy: -1243.669 where: short stacking energy: -614.560 Base-Backbone interact. energy: -2.886 local terms energy: -738.840469 where: bonds (distance) C4'-P energy: -160.800 bonds (distance) P-C4' energy: -172.065 flat angles C4'-P-C4' energy: -152.358 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -154.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1545.306639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.306639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.306639 (E_RNA) where: Base-Base interactions energy: -923.233 where: short stacking energy: -474.381 Base-Backbone interact. energy: 1.279 local terms energy: -623.352685 where: bonds (distance) C4'-P energy: -152.507 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -142.560 flat angles P-C4'-P energy: -91.602 tors. eta vs tors. theta energy: -82.490 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: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1214.297772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.297772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.297772 (E_RNA) where: Base-Base interactions energy: -701.472 where: short stacking energy: -348.962 Base-Backbone interact. energy: 1.369 local terms energy: -514.194019 where: bonds (distance) C4'-P energy: -128.197 bonds (distance) P-C4' energy: -148.692 flat angles C4'-P-C4' energy: -125.157 flat angles P-C4'-P energy: -91.259 tors. eta vs tors. theta energy: -20.890 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: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -804.802889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.802889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.802889 (E_RNA) where: Base-Base interactions energy: -360.971 where: short stacking energy: -211.226 Base-Backbone interact. energy: 0.553 local terms energy: -444.385132 where: bonds (distance) C4'-P energy: -144.912 bonds (distance) P-C4' energy: -150.312 flat angles C4'-P-C4' energy: -106.696 flat angles P-C4'-P energy: -73.444 tors. eta vs tors. theta energy: 30.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3162.144825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.144825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.144825 (E_RNA) where: Base-Base interactions energy: -2187.275 where: short stacking energy: -958.901 Base-Backbone interact. energy: -1.811 local terms energy: -973.058958 where: bonds (distance) C4'-P energy: -181.901 bonds (distance) P-C4' energy: -168.856 flat angles C4'-P-C4' energy: -205.488 flat angles P-C4'-P energy: -144.209 tors. eta vs tors. theta energy: -272.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -3060.745105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.745105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.745105 (E_RNA) where: Base-Base interactions energy: -2076.612 where: short stacking energy: -954.153 Base-Backbone interact. energy: -2.256 local terms energy: -981.877734 where: bonds (distance) C4'-P energy: -163.614 bonds (distance) P-C4' energy: -180.990 flat angles C4'-P-C4' energy: -221.924 flat angles P-C4'-P energy: -130.381 tors. eta vs tors. theta energy: -284.969 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: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2973.512746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.512746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.512746 (E_RNA) where: Base-Base interactions energy: -2018.465 where: short stacking energy: -917.717 Base-Backbone interact. energy: -4.364 local terms energy: -950.683428 where: bonds (distance) C4'-P energy: -150.553 bonds (distance) P-C4' energy: -197.404 flat angles C4'-P-C4' energy: -193.776 flat angles P-C4'-P energy: -140.728 tors. eta vs tors. theta energy: -268.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2844.576947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.576947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.576947 (E_RNA) where: Base-Base interactions energy: -1949.324 where: short stacking energy: -867.184 Base-Backbone interact. energy: -5.755 local terms energy: -889.497628 where: bonds (distance) C4'-P energy: -166.614 bonds (distance) P-C4' energy: -169.804 flat angles C4'-P-C4' energy: -185.650 flat angles P-C4'-P energy: -119.922 tors. eta vs tors. theta energy: -247.507 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: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2591.716060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.716060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.716060 (E_RNA) where: Base-Base interactions energy: -1737.825 where: short stacking energy: -817.732 Base-Backbone interact. energy: 0.443 local terms energy: -854.334440 where: bonds (distance) C4'-P energy: -163.507 bonds (distance) P-C4' energy: -144.518 flat angles C4'-P-C4' energy: -196.444 flat angles P-C4'-P energy: -116.305 tors. eta vs tors. theta energy: -233.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2388.133384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.133384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.133384 (E_RNA) where: Base-Base interactions energy: -1613.802 where: short stacking energy: -679.756 Base-Backbone interact. energy: 0.223 local terms energy: -774.554963 where: bonds (distance) C4'-P energy: -152.712 bonds (distance) P-C4' energy: -159.464 flat angles C4'-P-C4' energy: -171.120 flat angles P-C4'-P energy: -117.451 tors. eta vs tors. theta energy: -173.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1963.709689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.709689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.709689 (E_RNA) where: Base-Base interactions energy: -1241.745 where: short stacking energy: -573.535 Base-Backbone interact. energy: -0.163 local terms energy: -721.801315 where: bonds (distance) C4'-P energy: -154.074 bonds (distance) P-C4' energy: -168.560 flat angles C4'-P-C4' energy: -155.946 flat angles P-C4'-P energy: -97.734 tors. eta vs tors. theta energy: -145.487 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: 452 Temperature: 1.250000 Total energy: -1528.786201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.786201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.786201 (E_RNA) where: Base-Base interactions energy: -905.217 where: short stacking energy: -435.194 Base-Backbone interact. energy: 4.181 local terms energy: -627.749672 where: bonds (distance) C4'-P energy: -161.791 bonds (distance) P-C4' energy: -150.503 flat angles C4'-P-C4' energy: -146.329 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -82.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1234.433764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.433764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.433764 (E_RNA) where: Base-Base interactions energy: -709.291 where: short stacking energy: -364.690 Base-Backbone interact. energy: -1.279 local terms energy: -523.863952 where: bonds (distance) C4'-P energy: -155.873 bonds (distance) P-C4' energy: -132.009 flat angles C4'-P-C4' energy: -131.769 flat angles P-C4'-P energy: -68.096 tors. eta vs tors. theta energy: -36.117 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: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -812.567543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.567543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.567543 (E_RNA) where: Base-Base interactions energy: -339.638 where: short stacking energy: -243.477 Base-Backbone interact. energy: 2.088 local terms energy: -475.017847 where: bonds (distance) C4'-P energy: -153.838 bonds (distance) P-C4' energy: -145.131 flat angles C4'-P-C4' energy: -143.927 flat angles P-C4'-P energy: -60.158 tors. eta vs tors. theta energy: 28.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3180.137651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.137651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.137651 (E_RNA) where: Base-Base interactions energy: -2161.387 where: short stacking energy: -952.667 Base-Backbone interact. energy: -3.040 local terms energy: -1015.710808 where: bonds (distance) C4'-P energy: -189.921 bonds (distance) P-C4' energy: -189.801 flat angles C4'-P-C4' energy: -215.545 flat angles P-C4'-P energy: -148.149 tors. eta vs tors. theta energy: -272.294 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: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3040.106889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.106889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.106889 (E_RNA) where: Base-Base interactions energy: -2036.047 where: short stacking energy: -930.378 Base-Backbone interact. energy: -2.952 local terms energy: -1001.107849 where: bonds (distance) C4'-P energy: -175.287 bonds (distance) P-C4' energy: -193.513 flat angles C4'-P-C4' energy: -209.182 flat angles P-C4'-P energy: -135.705 tors. eta vs tors. theta energy: -287.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2982.117476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.117476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.117476 (E_RNA) where: Base-Base interactions energy: -2041.662 where: short stacking energy: -907.549 Base-Backbone interact. energy: -3.079 local terms energy: -937.376255 where: bonds (distance) C4'-P energy: -177.657 bonds (distance) P-C4' energy: -183.760 flat angles C4'-P-C4' energy: -195.944 flat angles P-C4'-P energy: -126.695 tors. eta vs tors. theta energy: -253.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2823.624744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.624744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.624744 (E_RNA) where: Base-Base interactions energy: -1921.745 where: short stacking energy: -861.537 Base-Backbone interact. energy: -5.864 local terms energy: -896.015132 where: bonds (distance) C4'-P energy: -157.105 bonds (distance) P-C4' energy: -157.671 flat angles C4'-P-C4' energy: -189.778 flat angles P-C4'-P energy: -137.489 tors. eta vs tors. theta energy: -253.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2580.573078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.573078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.573078 (E_RNA) where: Base-Base interactions energy: -1734.812 where: short stacking energy: -800.928 Base-Backbone interact. energy: -1.749 local terms energy: -844.012466 where: bonds (distance) C4'-P energy: -157.026 bonds (distance) P-C4' energy: -165.577 flat angles C4'-P-C4' energy: -186.797 flat angles P-C4'-P energy: -110.619 tors. eta vs tors. theta energy: -223.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2380.327554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.327554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.327554 (E_RNA) where: Base-Base interactions energy: -1548.346 where: short stacking energy: -706.737 Base-Backbone interact. energy: -3.039 local terms energy: -828.941808 where: bonds (distance) C4'-P energy: -162.943 bonds (distance) P-C4' energy: -177.558 flat angles C4'-P-C4' energy: -191.015 flat angles P-C4'-P energy: -115.408 tors. eta vs tors. theta energy: -182.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1977.218439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.218439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.218439 (E_RNA) where: Base-Base interactions energy: -1252.106 where: short stacking energy: -599.344 Base-Backbone interact. energy: -0.037 local terms energy: -725.074786 where: bonds (distance) C4'-P energy: -154.897 bonds (distance) P-C4' energy: -164.064 flat angles C4'-P-C4' energy: -164.345 flat angles P-C4'-P energy: -101.612 tors. eta vs tors. theta energy: -140.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1560.106097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.106097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.106097 (E_RNA) where: Base-Base interactions energy: -926.830 where: short stacking energy: -480.634 Base-Backbone interact. energy: 5.997 local terms energy: -639.273321 where: bonds (distance) C4'-P energy: -151.911 bonds (distance) P-C4' energy: -155.667 flat angles C4'-P-C4' energy: -151.762 flat angles P-C4'-P energy: -75.061 tors. eta vs tors. theta energy: -104.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1154.375796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.375796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.375796 (E_RNA) where: Base-Base interactions energy: -616.557 where: short stacking energy: -356.584 Base-Backbone interact. energy: -1.910 local terms energy: -535.907899 where: bonds (distance) C4'-P energy: -129.088 bonds (distance) P-C4' energy: -179.298 flat angles C4'-P-C4' energy: -140.255 flat angles P-C4'-P energy: -56.515 tors. eta vs tors. theta energy: -30.752 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: 453 Temperature: 1.350000 Total energy: -826.678469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.678469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.678469 (E_RNA) where: Base-Base interactions energy: -320.814 where: short stacking energy: -197.293 Base-Backbone interact. energy: 3.259 local terms energy: -509.123686 where: bonds (distance) C4'-P energy: -155.279 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -130.282 flat angles P-C4'-P energy: -104.917 tors. eta vs tors. theta energy: 25.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3197.326950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.326950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.326950 (E_RNA) where: Base-Base interactions energy: -2193.266 where: short stacking energy: -977.594 Base-Backbone interact. energy: -3.824 local terms energy: -1000.237057 where: bonds (distance) C4'-P energy: -188.039 bonds (distance) P-C4' energy: -183.203 flat angles C4'-P-C4' energy: -205.255 flat angles P-C4'-P energy: -148.656 tors. eta vs tors. theta energy: -275.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3042.652073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.652073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.652073 (E_RNA) where: Base-Base interactions energy: -2045.750 where: short stacking energy: -952.155 Base-Backbone interact. energy: -1.261 local terms energy: -995.640644 where: bonds (distance) C4'-P energy: -176.305 bonds (distance) P-C4' energy: -188.009 flat angles C4'-P-C4' energy: -203.490 flat angles P-C4'-P energy: -144.327 tors. eta vs tors. theta energy: -283.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2952.340063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.340063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.340063 (E_RNA) where: Base-Base interactions energy: -2039.328 where: short stacking energy: -927.714 Base-Backbone interact. energy: -2.580 local terms energy: -910.432195 where: bonds (distance) C4'-P energy: -169.471 bonds (distance) P-C4' energy: -163.337 flat angles C4'-P-C4' energy: -201.379 flat angles P-C4'-P energy: -127.538 tors. eta vs tors. theta energy: -248.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2780.121094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.121094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.121094 (E_RNA) where: Base-Base interactions energy: -1871.439 where: short stacking energy: -847.671 Base-Backbone interact. energy: -2.141 local terms energy: -906.540801 where: bonds (distance) C4'-P energy: -168.171 bonds (distance) P-C4' energy: -172.871 flat angles C4'-P-C4' energy: -201.198 flat angles P-C4'-P energy: -121.016 tors. eta vs tors. theta energy: -243.285 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: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2579.128704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.128704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.128704 (E_RNA) where: Base-Base interactions energy: -1748.969 where: short stacking energy: -785.764 Base-Backbone interact. energy: 3.325 local terms energy: -833.484974 where: bonds (distance) C4'-P energy: -149.006 bonds (distance) P-C4' energy: -164.777 flat angles C4'-P-C4' energy: -190.489 flat angles P-C4'-P energy: -124.255 tors. eta vs tors. theta energy: -204.959 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: 454 Temperature: 1.150000 Total energy: -2381.622248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.622248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.622248 (E_RNA) where: Base-Base interactions energy: -1575.899 where: short stacking energy: -720.984 Base-Backbone interact. energy: -1.782 local terms energy: -803.940880 where: bonds (distance) C4'-P energy: -150.540 bonds (distance) P-C4' energy: -157.044 flat angles C4'-P-C4' energy: -179.939 flat angles P-C4'-P energy: -119.212 tors. eta vs tors. theta energy: -197.207 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: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1948.029041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.029041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.029041 (E_RNA) where: Base-Base interactions energy: -1206.455 where: short stacking energy: -581.914 Base-Backbone interact. energy: -0.179 local terms energy: -741.395399 where: bonds (distance) C4'-P energy: -154.072 bonds (distance) P-C4' energy: -165.311 flat angles C4'-P-C4' energy: -173.869 flat angles P-C4'-P energy: -104.880 tors. eta vs tors. theta energy: -143.263 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: 454 Temperature: 1.250000 Total energy: -1553.528931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.528931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.528931 (E_RNA) where: Base-Base interactions energy: -937.090 where: short stacking energy: -460.864 Base-Backbone interact. energy: -2.973 local terms energy: -613.465781 where: bonds (distance) C4'-P energy: -140.792 bonds (distance) P-C4' energy: -155.348 flat angles C4'-P-C4' energy: -153.103 flat angles P-C4'-P energy: -68.800 tors. eta vs tors. theta energy: -95.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1228.741231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.741231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.741231 (E_RNA) where: Base-Base interactions energy: -672.880 where: short stacking energy: -356.018 Base-Backbone interact. energy: -3.083 local terms energy: -552.778162 where: bonds (distance) C4'-P energy: -152.670 bonds (distance) P-C4' energy: -130.088 flat angles C4'-P-C4' energy: -145.042 flat angles P-C4'-P energy: -87.436 tors. eta vs tors. theta energy: -37.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -752.500635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.500635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.500635 (E_RNA) where: Base-Base interactions energy: -369.882 where: short stacking energy: -237.626 Base-Backbone interact. energy: 2.799 local terms energy: -385.417101 where: bonds (distance) C4'-P energy: -140.696 bonds (distance) P-C4' energy: -132.607 flat angles C4'-P-C4' energy: -88.384 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: 29.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3156.257666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.257666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.257666 (E_RNA) where: Base-Base interactions energy: -2151.388 where: short stacking energy: -925.514 Base-Backbone interact. energy: -4.444 local terms energy: -1000.425612 where: bonds (distance) C4'-P energy: -200.036 bonds (distance) P-C4' energy: -182.093 flat angles C4'-P-C4' energy: -216.820 flat angles P-C4'-P energy: -139.015 tors. eta vs tors. theta energy: -262.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3025.076210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.076210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.076210 (E_RNA) where: Base-Base interactions energy: -2011.985 where: short stacking energy: -967.778 Base-Backbone interact. energy: -4.487 local terms energy: -1008.603933 where: bonds (distance) C4'-P energy: -190.588 bonds (distance) P-C4' energy: -188.141 flat angles C4'-P-C4' energy: -203.172 flat angles P-C4'-P energy: -134.283 tors. eta vs tors. theta energy: -292.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -3012.342798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.342798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.342798 (E_RNA) where: Base-Base interactions energy: -2031.414 where: short stacking energy: -936.509 Base-Backbone interact. energy: 3.206 local terms energy: -984.134047 where: bonds (distance) C4'-P energy: -184.019 bonds (distance) P-C4' energy: -176.397 flat angles C4'-P-C4' energy: -216.208 flat angles P-C4'-P energy: -134.118 tors. eta vs tors. theta energy: -273.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2781.554551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.554551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.554551 (E_RNA) where: Base-Base interactions energy: -1893.954 where: short stacking energy: -860.087 Base-Backbone interact. energy: -6.691 local terms energy: -880.909890 where: bonds (distance) C4'-P energy: -142.827 bonds (distance) P-C4' energy: -181.649 flat angles C4'-P-C4' energy: -200.161 flat angles P-C4'-P energy: -112.837 tors. eta vs tors. theta energy: -243.435 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: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2589.635060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.635060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.635060 (E_RNA) where: Base-Base interactions energy: -1759.833 where: short stacking energy: -774.730 Base-Backbone interact. energy: -1.427 local terms energy: -828.375136 where: bonds (distance) C4'-P energy: -160.798 bonds (distance) P-C4' energy: -150.424 flat angles C4'-P-C4' energy: -190.681 flat angles P-C4'-P energy: -114.616 tors. eta vs tors. theta energy: -211.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2379.232519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.232519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.232519 (E_RNA) where: Base-Base interactions energy: -1579.800 where: short stacking energy: -678.278 Base-Backbone interact. energy: -0.058 local terms energy: -799.374800 where: bonds (distance) C4'-P energy: -144.374 bonds (distance) P-C4' energy: -176.932 flat angles C4'-P-C4' energy: -194.745 flat angles P-C4'-P energy: -99.222 tors. eta vs tors. theta energy: -184.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1959.700376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.700376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.700376 (E_RNA) where: Base-Base interactions energy: -1233.068 where: short stacking energy: -594.150 Base-Backbone interact. energy: -1.212 local terms energy: -725.420500 where: bonds (distance) C4'-P energy: -145.736 bonds (distance) P-C4' energy: -182.530 flat angles C4'-P-C4' energy: -158.121 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -127.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1628.907813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.907813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.907813 (E_RNA) where: Base-Base interactions energy: -972.176 where: short stacking energy: -455.585 Base-Backbone interact. energy: 4.811 local terms energy: -661.543227 where: bonds (distance) C4'-P energy: -169.358 bonds (distance) P-C4' energy: -170.756 flat angles C4'-P-C4' energy: -156.217 flat angles P-C4'-P energy: -80.396 tors. eta vs tors. theta energy: -84.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1214.644990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.644990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.644990 (E_RNA) where: Base-Base interactions energy: -688.210 where: short stacking energy: -347.228 Base-Backbone interact. energy: 2.431 local terms energy: -528.866642 where: bonds (distance) C4'-P energy: -128.774 bonds (distance) P-C4' energy: -155.624 flat angles C4'-P-C4' energy: -143.668 flat angles P-C4'-P energy: -68.575 tors. eta vs tors. theta energy: -32.226 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: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -843.312823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.312823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.312823 (E_RNA) where: Base-Base interactions energy: -404.996 where: short stacking energy: -247.117 Base-Backbone interact. energy: 10.802 local terms energy: -449.119395 where: bonds (distance) C4'-P energy: -127.223 bonds (distance) P-C4' energy: -145.851 flat angles C4'-P-C4' energy: -123.174 flat angles P-C4'-P energy: -89.989 tors. eta vs tors. theta energy: 37.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3124.307820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.307820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.307820 (E_RNA) where: Base-Base interactions energy: -2165.704 where: short stacking energy: -948.483 Base-Backbone interact. energy: -1.418 local terms energy: -957.185544 where: bonds (distance) C4'-P energy: -177.963 bonds (distance) P-C4' energy: -175.222 flat angles C4'-P-C4' energy: -216.959 flat angles P-C4'-P energy: -125.514 tors. eta vs tors. theta energy: -261.528 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: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3064.762005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.762005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.762005 (E_RNA) where: Base-Base interactions energy: -2084.474 where: short stacking energy: -965.726 Base-Backbone interact. energy: -1.104 local terms energy: -979.183144 where: bonds (distance) C4'-P energy: -174.622 bonds (distance) P-C4' energy: -188.133 flat angles C4'-P-C4' energy: -205.890 flat angles P-C4'-P energy: -129.817 tors. eta vs tors. theta energy: -280.721 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: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2954.296684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.296684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.296684 (E_RNA) where: Base-Base interactions energy: -1992.248 where: short stacking energy: -914.951 Base-Backbone interact. energy: -1.297 local terms energy: -960.751099 where: bonds (distance) C4'-P energy: -181.926 bonds (distance) P-C4' energy: -170.987 flat angles C4'-P-C4' energy: -204.163 flat angles P-C4'-P energy: -139.877 tors. eta vs tors. theta energy: -263.799 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: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2837.388329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.388329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.388329 (E_RNA) where: Base-Base interactions energy: -1921.531 where: short stacking energy: -854.874 Base-Backbone interact. energy: -1.416 local terms energy: -914.441360 where: bonds (distance) C4'-P energy: -177.269 bonds (distance) P-C4' energy: -154.486 flat angles C4'-P-C4' energy: -192.292 flat angles P-C4'-P energy: -135.713 tors. eta vs tors. theta energy: -254.682 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: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2618.343922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.343922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.343922 (E_RNA) where: Base-Base interactions energy: -1769.472 where: short stacking energy: -820.006 Base-Backbone interact. energy: 1.767 local terms energy: -850.639126 where: bonds (distance) C4'-P energy: -154.264 bonds (distance) P-C4' energy: -171.458 flat angles C4'-P-C4' energy: -182.439 flat angles P-C4'-P energy: -113.261 tors. eta vs tors. theta energy: -229.217 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: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2358.185374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.185374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.185374 (E_RNA) where: Base-Base interactions energy: -1561.208 where: short stacking energy: -694.701 Base-Backbone interact. energy: -1.709 local terms energy: -795.268778 where: bonds (distance) C4'-P energy: -130.919 bonds (distance) P-C4' energy: -183.131 flat angles C4'-P-C4' energy: -182.601 flat angles P-C4'-P energy: -112.106 tors. eta vs tors. theta energy: -186.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2025.854817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.854817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.854817 (E_RNA) where: Base-Base interactions energy: -1316.235 where: short stacking energy: -617.545 Base-Backbone interact. energy: 1.511 local terms energy: -711.131101 where: bonds (distance) C4'-P energy: -137.823 bonds (distance) P-C4' energy: -150.393 flat angles C4'-P-C4' energy: -168.215 flat angles P-C4'-P energy: -112.225 tors. eta vs tors. theta energy: -142.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1644.732383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.732383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.732383 (E_RNA) where: Base-Base interactions energy: -997.973 where: short stacking energy: -500.000 Base-Backbone interact. energy: -2.318 local terms energy: -644.441470 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -165.168 flat angles C4'-P-C4' energy: -151.277 flat angles P-C4'-P energy: -104.855 tors. eta vs tors. theta energy: -87.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1212.309919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.309919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.309919 (E_RNA) where: Base-Base interactions energy: -673.353 where: short stacking energy: -375.256 Base-Backbone interact. energy: -0.881 local terms energy: -538.075371 where: bonds (distance) C4'-P energy: -144.380 bonds (distance) P-C4' energy: -147.505 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -38.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -859.268617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.268617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.268617 (E_RNA) where: Base-Base interactions energy: -418.237 where: short stacking energy: -236.929 Base-Backbone interact. energy: 0.306 local terms energy: -441.338013 where: bonds (distance) C4'-P energy: -145.549 bonds (distance) P-C4' energy: -146.958 flat angles C4'-P-C4' energy: -97.773 flat angles P-C4'-P energy: -59.965 tors. eta vs tors. theta energy: 8.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3124.247097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.247097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.247097 (E_RNA) where: Base-Base interactions energy: -2132.501 where: short stacking energy: -947.002 Base-Backbone interact. energy: -3.173 local terms energy: -988.573147 where: bonds (distance) C4'-P energy: -175.159 bonds (distance) P-C4' energy: -190.603 flat angles C4'-P-C4' energy: -217.722 flat angles P-C4'-P energy: -137.443 tors. eta vs tors. theta energy: -267.646 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: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3050.694182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.694182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.694182 (E_RNA) where: Base-Base interactions energy: -2080.041 where: short stacking energy: -982.747 Base-Backbone interact. energy: -0.410 local terms energy: -970.243038 where: bonds (distance) C4'-P energy: -175.677 bonds (distance) P-C4' energy: -167.917 flat angles C4'-P-C4' energy: -205.729 flat angles P-C4'-P energy: -134.402 tors. eta vs tors. theta energy: -286.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2919.265635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.265635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.265635 (E_RNA) where: Base-Base interactions energy: -1990.891 where: short stacking energy: -886.207 Base-Backbone interact. energy: -2.547 local terms energy: -925.827948 where: bonds (distance) C4'-P energy: -166.865 bonds (distance) P-C4' energy: -178.669 flat angles C4'-P-C4' energy: -196.384 flat angles P-C4'-P energy: -134.994 tors. eta vs tors. theta energy: -248.917 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: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2773.086481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.086481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.086481 (E_RNA) where: Base-Base interactions energy: -1878.137 where: short stacking energy: -857.514 Base-Backbone interact. energy: -1.410 local terms energy: -893.539994 where: bonds (distance) C4'-P energy: -170.367 bonds (distance) P-C4' energy: -177.435 flat angles C4'-P-C4' energy: -191.397 flat angles P-C4'-P energy: -112.545 tors. eta vs tors. theta energy: -241.797 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: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2609.769298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.769298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.769298 (E_RNA) where: Base-Base interactions energy: -1752.278 where: short stacking energy: -826.914 Base-Backbone interact. energy: -1.667 local terms energy: -855.824298 where: bonds (distance) C4'-P energy: -162.233 bonds (distance) P-C4' energy: -151.239 flat angles C4'-P-C4' energy: -199.018 flat angles P-C4'-P energy: -116.873 tors. eta vs tors. theta energy: -226.462 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: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2297.969513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.969513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.969513 (E_RNA) where: Base-Base interactions energy: -1487.510 where: short stacking energy: -677.548 Base-Backbone interact. energy: -1.695 local terms energy: -808.764093 where: bonds (distance) C4'-P energy: -171.668 bonds (distance) P-C4' energy: -169.086 flat angles C4'-P-C4' energy: -180.327 flat angles P-C4'-P energy: -99.015 tors. eta vs tors. theta energy: -188.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1983.911396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.911396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.911396 (E_RNA) where: Base-Base interactions energy: -1255.249 where: short stacking energy: -579.426 Base-Backbone interact. energy: -2.654 local terms energy: -726.008837 where: bonds (distance) C4'-P energy: -143.636 bonds (distance) P-C4' energy: -171.145 flat angles C4'-P-C4' energy: -176.833 flat angles P-C4'-P energy: -99.882 tors. eta vs tors. theta energy: -134.513 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: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1626.687579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.687579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.687579 (E_RNA) where: Base-Base interactions energy: -986.318 where: short stacking energy: -497.110 Base-Backbone interact. energy: 4.682 local terms energy: -645.051587 where: bonds (distance) C4'-P energy: -143.965 bonds (distance) P-C4' energy: -165.815 flat angles C4'-P-C4' energy: -153.355 flat angles P-C4'-P energy: -84.617 tors. eta vs tors. theta energy: -97.300 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: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1200.740568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.740568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.740568 (E_RNA) where: Base-Base interactions energy: -655.875 where: short stacking energy: -366.813 Base-Backbone interact. energy: -3.715 local terms energy: -541.150847 where: bonds (distance) C4'-P energy: -152.687 bonds (distance) P-C4' energy: -146.069 flat angles C4'-P-C4' energy: -136.255 flat angles P-C4'-P energy: -89.066 tors. eta vs tors. theta energy: -17.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -818.924208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.924208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.924208 (E_RNA) where: Base-Base interactions energy: -366.429 where: short stacking energy: -218.719 Base-Backbone interact. energy: 0.758 local terms energy: -453.253223 where: bonds (distance) C4'-P energy: -134.126 bonds (distance) P-C4' energy: -164.198 flat angles C4'-P-C4' energy: -119.613 flat angles P-C4'-P energy: -88.898 tors. eta vs tors. theta energy: 53.582 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: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3121.370026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.370026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.370026 (E_RNA) where: Base-Base interactions energy: -2142.379 where: short stacking energy: -940.451 Base-Backbone interact. energy: -4.370 local terms energy: -974.621375 where: bonds (distance) C4'-P energy: -179.782 bonds (distance) P-C4' energy: -182.943 flat angles C4'-P-C4' energy: -213.628 flat angles P-C4'-P energy: -141.246 tors. eta vs tors. theta energy: -257.022 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: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3003.796608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.796608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.796608 (E_RNA) where: Base-Base interactions energy: -2021.126 where: short stacking energy: -940.056 Base-Backbone interact. energy: -2.996 local terms energy: -979.673900 where: bonds (distance) C4'-P energy: -164.883 bonds (distance) P-C4' energy: -184.649 flat angles C4'-P-C4' energy: -208.263 flat angles P-C4'-P energy: -141.286 tors. eta vs tors. theta energy: -280.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2934.828908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.828908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.828908 (E_RNA) where: Base-Base interactions energy: -1968.645 where: short stacking energy: -886.868 Base-Backbone interact. energy: -3.129 local terms energy: -963.054674 where: bonds (distance) C4'-P energy: -170.833 bonds (distance) P-C4' energy: -173.272 flat angles C4'-P-C4' energy: -202.536 flat angles P-C4'-P energy: -136.342 tors. eta vs tors. theta energy: -280.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2807.459687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.459687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.459687 (E_RNA) where: Base-Base interactions energy: -1885.033 where: short stacking energy: -845.605 Base-Backbone interact. energy: -2.999 local terms energy: -919.427209 where: bonds (distance) C4'-P energy: -169.743 bonds (distance) P-C4' energy: -183.910 flat angles C4'-P-C4' energy: -195.997 flat angles P-C4'-P energy: -131.294 tors. eta vs tors. theta energy: -238.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2649.830361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.830361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.830361 (E_RNA) where: Base-Base interactions energy: -1783.324 where: short stacking energy: -812.895 Base-Backbone interact. energy: -2.358 local terms energy: -864.148222 where: bonds (distance) C4'-P energy: -167.160 bonds (distance) P-C4' energy: -166.324 flat angles C4'-P-C4' energy: -181.704 flat angles P-C4'-P energy: -112.840 tors. eta vs tors. theta energy: -236.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2264.435002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.435002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.435002 (E_RNA) where: Base-Base interactions energy: -1480.489 where: short stacking energy: -664.138 Base-Backbone interact. energy: -1.976 local terms energy: -781.970265 where: bonds (distance) C4'-P energy: -158.594 bonds (distance) P-C4' energy: -177.075 flat angles C4'-P-C4' energy: -178.659 flat angles P-C4'-P energy: -101.212 tors. eta vs tors. theta energy: -166.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1992.920505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.920505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.920505 (E_RNA) where: Base-Base interactions energy: -1304.954 where: short stacking energy: -566.465 Base-Backbone interact. energy: -0.168 local terms energy: -687.798849 where: bonds (distance) C4'-P energy: -146.308 bonds (distance) P-C4' energy: -167.055 flat angles C4'-P-C4' energy: -160.469 flat angles P-C4'-P energy: -102.009 tors. eta vs tors. theta energy: -111.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1566.457999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.457999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.457999 (E_RNA) where: Base-Base interactions energy: -926.987 where: short stacking energy: -443.609 Base-Backbone interact. energy: 3.892 local terms energy: -643.363217 where: bonds (distance) C4'-P energy: -143.490 bonds (distance) P-C4' energy: -170.582 flat angles C4'-P-C4' energy: -158.073 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -93.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1230.702798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.702798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.702798 (E_RNA) where: Base-Base interactions energy: -687.315 where: short stacking energy: -374.731 Base-Backbone interact. energy: 2.514 local terms energy: -545.902542 where: bonds (distance) C4'-P energy: -151.688 bonds (distance) P-C4' energy: -133.024 flat angles C4'-P-C4' energy: -145.756 flat angles P-C4'-P energy: -89.417 tors. eta vs tors. theta energy: -26.018 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: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -754.049977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.049977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.049977 (E_RNA) where: Base-Base interactions energy: -292.295 where: short stacking energy: -233.130 Base-Backbone interact. energy: 3.446 local terms energy: -465.201455 where: bonds (distance) C4'-P energy: -136.781 bonds (distance) P-C4' energy: -165.292 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: 33.988 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: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3146.401540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.401540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.401540 (E_RNA) where: Base-Base interactions energy: -2146.278 where: short stacking energy: -943.758 Base-Backbone interact. energy: 1.495 local terms energy: -1001.618671 where: bonds (distance) C4'-P energy: -179.599 bonds (distance) P-C4' energy: -192.128 flat angles C4'-P-C4' energy: -224.337 flat angles P-C4'-P energy: -142.515 tors. eta vs tors. theta energy: -263.040 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: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3056.281599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.281599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.281599 (E_RNA) where: Base-Base interactions energy: -2078.615 where: short stacking energy: -976.174 Base-Backbone interact. energy: -1.524 local terms energy: -976.143570 where: bonds (distance) C4'-P energy: -175.196 bonds (distance) P-C4' energy: -180.822 flat angles C4'-P-C4' energy: -205.403 flat angles P-C4'-P energy: -124.780 tors. eta vs tors. theta energy: -289.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2991.215242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.215242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.215242 (E_RNA) where: Base-Base interactions energy: -2015.229 where: short stacking energy: -945.341 Base-Backbone interact. energy: -5.544 local terms energy: -970.441728 where: bonds (distance) C4'-P energy: -177.851 bonds (distance) P-C4' energy: -173.219 flat angles C4'-P-C4' energy: -207.845 flat angles P-C4'-P energy: -126.314 tors. eta vs tors. theta energy: -285.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2747.354871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.354871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.354871 (E_RNA) where: Base-Base interactions energy: -1854.959 where: short stacking energy: -836.452 Base-Backbone interact. energy: -3.779 local terms energy: -888.617090 where: bonds (distance) C4'-P energy: -180.989 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -187.472 flat angles P-C4'-P energy: -113.114 tors. eta vs tors. theta energy: -245.080 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: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2670.120808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.120808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.120808 (E_RNA) where: Base-Base interactions energy: -1815.098 where: short stacking energy: -830.982 Base-Backbone interact. energy: -4.100 local terms energy: -850.922832 where: bonds (distance) C4'-P energy: -154.268 bonds (distance) P-C4' energy: -170.128 flat angles C4'-P-C4' energy: -184.822 flat angles P-C4'-P energy: -116.014 tors. eta vs tors. theta energy: -225.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2297.990728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.990728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.990728 (E_RNA) where: Base-Base interactions energy: -1468.308 where: short stacking energy: -643.677 Base-Backbone interact. energy: -3.941 local terms energy: -825.742477 where: bonds (distance) C4'-P energy: -167.755 bonds (distance) P-C4' energy: -166.383 flat angles C4'-P-C4' energy: -192.650 flat angles P-C4'-P energy: -112.032 tors. eta vs tors. theta energy: -186.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2071.314781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.314781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.314781 (E_RNA) where: Base-Base interactions energy: -1362.936 where: short stacking energy: -634.874 Base-Backbone interact. energy: -1.771 local terms energy: -706.607990 where: bonds (distance) C4'-P energy: -153.723 bonds (distance) P-C4' energy: -128.910 flat angles C4'-P-C4' energy: -170.147 flat angles P-C4'-P energy: -90.952 tors. eta vs tors. theta energy: -162.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1637.700851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.700851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.700851 (E_RNA) where: Base-Base interactions energy: -967.301 where: short stacking energy: -465.726 Base-Backbone interact. energy: 4.957 local terms energy: -675.356286 where: bonds (distance) C4'-P energy: -169.410 bonds (distance) P-C4' energy: -162.280 flat angles C4'-P-C4' energy: -150.373 flat angles P-C4'-P energy: -98.411 tors. eta vs tors. theta energy: -94.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1146.674297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.674297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.674297 (E_RNA) where: Base-Base interactions energy: -611.157 where: short stacking energy: -333.510 Base-Backbone interact. energy: -0.683 local terms energy: -534.834027 where: bonds (distance) C4'-P energy: -165.476 bonds (distance) P-C4' energy: -158.706 flat angles C4'-P-C4' energy: -136.660 flat angles P-C4'-P energy: -52.693 tors. eta vs tors. theta energy: -21.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -740.648541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.648541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.648541 (E_RNA) where: Base-Base interactions energy: -297.772 where: short stacking energy: -184.138 Base-Backbone interact. energy: 3.563 local terms energy: -446.438986 where: bonds (distance) C4'-P energy: -151.734 bonds (distance) P-C4' energy: -169.442 flat angles C4'-P-C4' energy: -96.617 flat angles P-C4'-P energy: -64.224 tors. eta vs tors. theta energy: 35.578 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: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3132.058779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.058779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.058779 (E_RNA) where: Base-Base interactions energy: -2125.777 where: short stacking energy: -969.186 Base-Backbone interact. energy: -1.793 local terms energy: -1004.488924 where: bonds (distance) C4'-P energy: -176.620 bonds (distance) P-C4' energy: -184.948 flat angles C4'-P-C4' energy: -210.865 flat angles P-C4'-P energy: -142.457 tors. eta vs tors. theta energy: -289.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3081.492908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.492908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.492908 (E_RNA) where: Base-Base interactions energy: -2125.957 where: short stacking energy: -939.785 Base-Backbone interact. energy: -5.118 local terms energy: -950.417928 where: bonds (distance) C4'-P energy: -161.844 bonds (distance) P-C4' energy: -184.862 flat angles C4'-P-C4' energy: -200.088 flat angles P-C4'-P energy: -132.360 tors. eta vs tors. theta energy: -271.264 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: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2930.956100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.956100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.956100 (E_RNA) where: Base-Base interactions energy: -1976.233 where: short stacking energy: -855.846 Base-Backbone interact. energy: -1.733 local terms energy: -952.990753 where: bonds (distance) C4'-P energy: -161.952 bonds (distance) P-C4' energy: -180.266 flat angles C4'-P-C4' energy: -203.453 flat angles P-C4'-P energy: -156.868 tors. eta vs tors. theta energy: -250.451 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: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2783.857316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.857316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.857316 (E_RNA) where: Base-Base interactions energy: -1889.302 where: short stacking energy: -844.875 Base-Backbone interact. energy: -3.677 local terms energy: -890.877407 where: bonds (distance) C4'-P energy: -147.666 bonds (distance) P-C4' energy: -185.459 flat angles C4'-P-C4' energy: -186.275 flat angles P-C4'-P energy: -127.222 tors. eta vs tors. theta energy: -244.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2652.335977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.335977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.335977 (E_RNA) where: Base-Base interactions energy: -1789.983 where: short stacking energy: -791.335 Base-Backbone interact. energy: -2.912 local terms energy: -859.440702 where: bonds (distance) C4'-P energy: -156.776 bonds (distance) P-C4' energy: -165.115 flat angles C4'-P-C4' energy: -177.069 flat angles P-C4'-P energy: -127.655 tors. eta vs tors. theta energy: -232.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2424.129910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.129910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.129910 (E_RNA) where: Base-Base interactions energy: -1613.764 where: short stacking energy: -727.154 Base-Backbone interact. energy: -4.472 local terms energy: -805.894395 where: bonds (distance) C4'-P energy: -146.659 bonds (distance) P-C4' energy: -159.720 flat angles C4'-P-C4' energy: -183.308 flat angles P-C4'-P energy: -116.076 tors. eta vs tors. theta energy: -200.132 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: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2098.584099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.584099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.584099 (E_RNA) where: Base-Base interactions energy: -1405.164 where: short stacking energy: -611.848 Base-Backbone interact. energy: -2.119 local terms energy: -691.300353 where: bonds (distance) C4'-P energy: -142.579 bonds (distance) P-C4' energy: -157.705 flat angles C4'-P-C4' energy: -159.904 flat angles P-C4'-P energy: -91.537 tors. eta vs tors. theta energy: -139.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1613.007121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.007121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.007121 (E_RNA) where: Base-Base interactions energy: -992.411 where: short stacking energy: -448.236 Base-Backbone interact. energy: -1.016 local terms energy: -619.579807 where: bonds (distance) C4'-P energy: -148.410 bonds (distance) P-C4' energy: -154.445 flat angles C4'-P-C4' energy: -150.612 flat angles P-C4'-P energy: -83.414 tors. eta vs tors. theta energy: -82.699 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: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1178.559282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.559282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.559282 (E_RNA) where: Base-Base interactions energy: -648.433 where: short stacking energy: -362.314 Base-Backbone interact. energy: -1.509 local terms energy: -528.617999 where: bonds (distance) C4'-P energy: -158.553 bonds (distance) P-C4' energy: -135.013 flat angles C4'-P-C4' energy: -114.118 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -32.097 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: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -808.271972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.271972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.271972 (E_RNA) where: Base-Base interactions energy: -382.714 where: short stacking energy: -228.362 Base-Backbone interact. energy: -4.332 local terms energy: -421.226051 where: bonds (distance) C4'-P energy: -130.178 bonds (distance) P-C4' energy: -138.216 flat angles C4'-P-C4' energy: -132.438 flat angles P-C4'-P energy: -59.355 tors. eta vs tors. theta energy: 38.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3166.849815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.849815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.849815 (E_RNA) where: Base-Base interactions energy: -2153.304 where: short stacking energy: -982.591 Base-Backbone interact. energy: -3.253 local terms energy: -1010.292717 where: bonds (distance) C4'-P energy: -184.678 bonds (distance) P-C4' energy: -174.816 flat angles C4'-P-C4' energy: -213.216 flat angles P-C4'-P energy: -146.968 tors. eta vs tors. theta energy: -290.614 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: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3084.241814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.241814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.241814 (E_RNA) where: Base-Base interactions energy: -2095.561 where: short stacking energy: -931.129 Base-Backbone interact. energy: -4.678 local terms energy: -984.002515 where: bonds (distance) C4'-P energy: -182.819 bonds (distance) P-C4' energy: -195.541 flat angles C4'-P-C4' energy: -203.666 flat angles P-C4'-P energy: -136.393 tors. eta vs tors. theta energy: -265.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2910.068051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.068051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.068051 (E_RNA) where: Base-Base interactions energy: -1974.215 where: short stacking energy: -891.584 Base-Backbone interact. energy: -3.948 local terms energy: -931.904411 where: bonds (distance) C4'-P energy: -173.666 bonds (distance) P-C4' energy: -177.820 flat angles C4'-P-C4' energy: -182.662 flat angles P-C4'-P energy: -142.182 tors. eta vs tors. theta energy: -255.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2765.041963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.041963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.041963 (E_RNA) where: Base-Base interactions energy: -1827.489 where: short stacking energy: -834.566 Base-Backbone interact. energy: -9.254 local terms energy: -928.298284 where: bonds (distance) C4'-P energy: -174.905 bonds (distance) P-C4' energy: -177.358 flat angles C4'-P-C4' energy: -200.577 flat angles P-C4'-P energy: -120.387 tors. eta vs tors. theta energy: -255.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2666.010527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.010527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.010527 (E_RNA) where: Base-Base interactions energy: -1815.223 where: short stacking energy: -807.458 Base-Backbone interact. energy: 1.390 local terms energy: -852.176956 where: bonds (distance) C4'-P energy: -155.605 bonds (distance) P-C4' energy: -181.280 flat angles C4'-P-C4' energy: -177.542 flat angles P-C4'-P energy: -108.392 tors. eta vs tors. theta energy: -229.358 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: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2381.924753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.924753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.924753 (E_RNA) where: Base-Base interactions energy: -1556.608 where: short stacking energy: -708.026 Base-Backbone interact. energy: -2.039 local terms energy: -823.277995 where: bonds (distance) C4'-P energy: -161.169 bonds (distance) P-C4' energy: -176.235 flat angles C4'-P-C4' energy: -179.922 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -201.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2182.073620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.073620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.073620 (E_RNA) where: Base-Base interactions energy: -1463.476 where: short stacking energy: -671.090 Base-Backbone interact. energy: -0.575 local terms energy: -718.021999 where: bonds (distance) C4'-P energy: -136.224 bonds (distance) P-C4' energy: -138.553 flat angles C4'-P-C4' energy: -161.117 flat angles P-C4'-P energy: -113.983 tors. eta vs tors. theta energy: -168.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1619.488275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.488275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.488275 (E_RNA) where: Base-Base interactions energy: -972.609 where: short stacking energy: -465.188 Base-Backbone interact. energy: -1.309 local terms energy: -645.570311 where: bonds (distance) C4'-P energy: -162.105 bonds (distance) P-C4' energy: -143.110 flat angles C4'-P-C4' energy: -171.985 flat angles P-C4'-P energy: -93.662 tors. eta vs tors. theta energy: -74.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1150.190642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.190642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.190642 (E_RNA) where: Base-Base interactions energy: -621.093 where: short stacking energy: -331.909 Base-Backbone interact. energy: 4.328 local terms energy: -533.425679 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -143.952 flat angles C4'-P-C4' energy: -127.547 flat angles P-C4'-P energy: -106.925 tors. eta vs tors. theta energy: -31.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -831.587889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.587889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.587889 (E_RNA) where: Base-Base interactions energy: -394.926 where: short stacking energy: -232.439 Base-Backbone interact. energy: 1.555 local terms energy: -438.216485 where: bonds (distance) C4'-P energy: -144.331 bonds (distance) P-C4' energy: -136.269 flat angles C4'-P-C4' energy: -107.799 flat angles P-C4'-P energy: -77.414 tors. eta vs tors. theta energy: 27.597 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: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3158.439999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.439999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.439999 (E_RNA) where: Base-Base interactions energy: -2136.887 where: short stacking energy: -987.298 Base-Backbone interact. energy: -0.633 local terms energy: -1020.919643 where: bonds (distance) C4'-P energy: -177.996 bonds (distance) P-C4' energy: -183.760 flat angles C4'-P-C4' energy: -214.138 flat angles P-C4'-P energy: -150.138 tors. eta vs tors. theta energy: -294.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3075.156865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.156865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.156865 (E_RNA) where: Base-Base interactions energy: -2096.079 where: short stacking energy: -909.826 Base-Backbone interact. energy: -4.979 local terms energy: -974.098922 where: bonds (distance) C4'-P energy: -168.643 bonds (distance) P-C4' energy: -198.549 flat angles C4'-P-C4' energy: -206.201 flat angles P-C4'-P energy: -142.593 tors. eta vs tors. theta energy: -258.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2947.676623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.676623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.676623 (E_RNA) where: Base-Base interactions energy: -2007.238 where: short stacking energy: -900.665 Base-Backbone interact. energy: 1.034 local terms energy: -941.472671 where: bonds (distance) C4'-P energy: -157.029 bonds (distance) P-C4' energy: -175.767 flat angles C4'-P-C4' energy: -202.781 flat angles P-C4'-P energy: -148.273 tors. eta vs tors. theta energy: -257.623 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: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2750.940325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.940325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.940325 (E_RNA) where: Base-Base interactions energy: -1839.329 where: short stacking energy: -836.158 Base-Backbone interact. energy: -0.531 local terms energy: -911.079925 where: bonds (distance) C4'-P energy: -172.518 bonds (distance) P-C4' energy: -156.789 flat angles C4'-P-C4' energy: -199.566 flat angles P-C4'-P energy: -133.834 tors. eta vs tors. theta energy: -248.373 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: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2631.401405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.401405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.401405 (E_RNA) where: Base-Base interactions energy: -1789.304 where: short stacking energy: -819.860 Base-Backbone interact. energy: -0.069 local terms energy: -842.028647 where: bonds (distance) C4'-P energy: -140.113 bonds (distance) P-C4' energy: -157.161 flat angles C4'-P-C4' energy: -185.224 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -231.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2337.995464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.995464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.995464 (E_RNA) where: Base-Base interactions energy: -1568.032 where: short stacking energy: -695.875 Base-Backbone interact. energy: -4.577 local terms energy: -765.386401 where: bonds (distance) C4'-P energy: -127.244 bonds (distance) P-C4' energy: -184.763 flat angles C4'-P-C4' energy: -171.842 flat angles P-C4'-P energy: -116.064 tors. eta vs tors. theta energy: -165.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2206.362292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.362292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.362292 (E_RNA) where: Base-Base interactions energy: -1437.835 where: short stacking energy: -645.567 Base-Backbone interact. energy: 1.759 local terms energy: -770.286540 where: bonds (distance) C4'-P energy: -145.318 bonds (distance) P-C4' energy: -161.674 flat angles C4'-P-C4' energy: -186.919 flat angles P-C4'-P energy: -114.314 tors. eta vs tors. theta energy: -162.062 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: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1564.437452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.437452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.437452 (E_RNA) where: Base-Base interactions energy: -926.055 where: short stacking energy: -450.174 Base-Backbone interact. energy: -4.477 local terms energy: -633.904800 where: bonds (distance) C4'-P energy: -161.390 bonds (distance) P-C4' energy: -155.779 flat angles C4'-P-C4' energy: -164.409 flat angles P-C4'-P energy: -78.154 tors. eta vs tors. theta energy: -74.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1220.293912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.293912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.293912 (E_RNA) where: Base-Base interactions energy: -659.643 where: short stacking energy: -332.311 Base-Backbone interact. energy: -2.162 local terms energy: -558.489808 where: bonds (distance) C4'-P energy: -133.729 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -150.869 flat angles P-C4'-P energy: -107.028 tors. eta vs tors. theta energy: -33.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -864.362600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.362600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.362600 (E_RNA) where: Base-Base interactions energy: -361.285 where: short stacking energy: -245.269 Base-Backbone interact. energy: 0.699 local terms energy: -503.777182 where: bonds (distance) C4'-P energy: -145.223 bonds (distance) P-C4' energy: -155.496 flat angles C4'-P-C4' energy: -143.784 flat angles P-C4'-P energy: -42.776 tors. eta vs tors. theta energy: -16.499 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: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3158.922537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.922537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.922537 (E_RNA) where: Base-Base interactions energy: -2117.264 where: short stacking energy: -963.652 Base-Backbone interact. energy: -2.939 local terms energy: -1038.719811 where: bonds (distance) C4'-P energy: -186.220 bonds (distance) P-C4' energy: -193.442 flat angles C4'-P-C4' energy: -212.626 flat angles P-C4'-P energy: -143.622 tors. eta vs tors. theta energy: -302.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3074.579311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.579311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.579311 (E_RNA) where: Base-Base interactions energy: -2120.123 where: short stacking energy: -909.420 Base-Backbone interact. energy: -3.059 local terms energy: -951.397703 where: bonds (distance) C4'-P energy: -168.288 bonds (distance) P-C4' energy: -166.667 flat angles C4'-P-C4' energy: -210.884 flat angles P-C4'-P energy: -140.167 tors. eta vs tors. theta energy: -265.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2930.126578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.126578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.126578 (E_RNA) where: Base-Base interactions energy: -1977.709 where: short stacking energy: -895.079 Base-Backbone interact. energy: 0.197 local terms energy: -952.614084 where: bonds (distance) C4'-P energy: -171.827 bonds (distance) P-C4' energy: -174.194 flat angles C4'-P-C4' energy: -210.558 flat angles P-C4'-P energy: -130.685 tors. eta vs tors. theta energy: -265.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2776.442153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.442153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.442153 (E_RNA) where: Base-Base interactions energy: -1850.962 where: short stacking energy: -846.096 Base-Backbone interact. energy: -4.641 local terms energy: -920.840063 where: bonds (distance) C4'-P energy: -159.196 bonds (distance) P-C4' energy: -173.380 flat angles C4'-P-C4' energy: -202.977 flat angles P-C4'-P energy: -135.778 tors. eta vs tors. theta energy: -249.509 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: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2649.588761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.588761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.588761 (E_RNA) where: Base-Base interactions energy: -1793.229 where: short stacking energy: -804.816 Base-Backbone interact. energy: -1.038 local terms energy: -855.321358 where: bonds (distance) C4'-P energy: -161.939 bonds (distance) P-C4' energy: -160.930 flat angles C4'-P-C4' energy: -173.232 flat angles P-C4'-P energy: -114.902 tors. eta vs tors. theta energy: -244.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2293.551312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.551312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.551312 (E_RNA) where: Base-Base interactions energy: -1532.387 where: short stacking energy: -684.037 Base-Backbone interact. energy: -2.161 local terms energy: -759.003746 where: bonds (distance) C4'-P energy: -141.971 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -172.002 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -177.744 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: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2203.068303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.068303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.068303 (E_RNA) where: Base-Base interactions energy: -1453.401 where: short stacking energy: -668.684 Base-Backbone interact. energy: 0.667 local terms energy: -750.333862 where: bonds (distance) C4'-P energy: -145.380 bonds (distance) P-C4' energy: -143.468 flat angles C4'-P-C4' energy: -160.567 flat angles P-C4'-P energy: -99.196 tors. eta vs tors. theta energy: -201.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1591.493018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.493018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.493018 (E_RNA) where: Base-Base interactions energy: -928.446 where: short stacking energy: -478.440 Base-Backbone interact. energy: -0.981 local terms energy: -662.065521 where: bonds (distance) C4'-P energy: -145.819 bonds (distance) P-C4' energy: -156.432 flat angles C4'-P-C4' energy: -169.407 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -96.612 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: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1181.509929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.509929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.509929 (E_RNA) where: Base-Base interactions energy: -656.869 where: short stacking energy: -343.550 Base-Backbone interact. energy: 0.415 local terms energy: -525.055139 where: bonds (distance) C4'-P energy: -136.876 bonds (distance) P-C4' energy: -163.102 flat angles C4'-P-C4' energy: -127.614 flat angles P-C4'-P energy: -71.969 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: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -874.563141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.563141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.563141 (E_RNA) where: Base-Base interactions energy: -414.652 where: short stacking energy: -244.831 Base-Backbone interact. energy: -4.052 local terms energy: -455.858488 where: bonds (distance) C4'-P energy: -133.069 bonds (distance) P-C4' energy: -154.015 flat angles C4'-P-C4' energy: -129.050 flat angles P-C4'-P energy: -61.034 tors. eta vs tors. theta energy: 21.309 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: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3148.871196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.871196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.871196 (E_RNA) where: Base-Base interactions energy: -2146.076 where: short stacking energy: -997.180 Base-Backbone interact. energy: -4.340 local terms energy: -998.455012 where: bonds (distance) C4'-P energy: -168.460 bonds (distance) P-C4' energy: -180.032 flat angles C4'-P-C4' energy: -204.739 flat angles P-C4'-P energy: -144.559 tors. eta vs tors. theta energy: -300.665 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: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3075.216930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.216930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.216930 (E_RNA) where: Base-Base interactions energy: -2122.870 where: short stacking energy: -909.257 Base-Backbone interact. energy: 0.193 local terms energy: -952.540362 where: bonds (distance) C4'-P energy: -160.979 bonds (distance) P-C4' energy: -195.115 flat angles C4'-P-C4' energy: -199.727 flat angles P-C4'-P energy: -134.172 tors. eta vs tors. theta energy: -262.547 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: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2953.319389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.319389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.319389 (E_RNA) where: Base-Base interactions energy: -2000.967 where: short stacking energy: -880.775 Base-Backbone interact. energy: -3.630 local terms energy: -948.722092 where: bonds (distance) C4'-P energy: -165.735 bonds (distance) P-C4' energy: -174.524 flat angles C4'-P-C4' energy: -212.251 flat angles P-C4'-P energy: -124.582 tors. eta vs tors. theta energy: -271.629 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: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2766.766681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.766681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.766681 (E_RNA) where: Base-Base interactions energy: -1880.576 where: short stacking energy: -844.249 Base-Backbone interact. energy: -1.595 local terms energy: -884.595107 where: bonds (distance) C4'-P energy: -159.218 bonds (distance) P-C4' energy: -182.549 flat angles C4'-P-C4' energy: -182.940 flat angles P-C4'-P energy: -116.166 tors. eta vs tors. theta energy: -243.721 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: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2675.230674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.230674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.230674 (E_RNA) where: Base-Base interactions energy: -1794.156 where: short stacking energy: -815.409 Base-Backbone interact. energy: -1.949 local terms energy: -879.126178 where: bonds (distance) C4'-P energy: -188.677 bonds (distance) P-C4' energy: -169.745 flat angles C4'-P-C4' energy: -181.350 flat angles P-C4'-P energy: -98.674 tors. eta vs tors. theta energy: -240.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2307.219700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.219700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.219700 (E_RNA) where: Base-Base interactions energy: -1499.707 where: short stacking energy: -691.567 Base-Backbone interact. energy: -2.825 local terms energy: -804.688042 where: bonds (distance) C4'-P energy: -162.563 bonds (distance) P-C4' energy: -162.524 flat angles C4'-P-C4' energy: -186.626 flat angles P-C4'-P energy: -108.758 tors. eta vs tors. theta energy: -184.216 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: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2255.608091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.608091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.608091 (E_RNA) where: Base-Base interactions energy: -1490.780 where: short stacking energy: -653.114 Base-Backbone interact. energy: -0.409 local terms energy: -764.418637 where: bonds (distance) C4'-P energy: -169.146 bonds (distance) P-C4' energy: -146.102 flat angles C4'-P-C4' energy: -178.157 flat angles P-C4'-P energy: -104.865 tors. eta vs tors. theta energy: -166.148 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: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1503.350307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.350307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.350307 (E_RNA) where: Base-Base interactions energy: -875.905 where: short stacking energy: -454.026 Base-Backbone interact. energy: -0.310 local terms energy: -627.135199 where: bonds (distance) C4'-P energy: -150.130 bonds (distance) P-C4' energy: -152.208 flat angles C4'-P-C4' energy: -161.622 flat angles P-C4'-P energy: -88.441 tors. eta vs tors. theta energy: -74.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1232.848992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.848992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.848992 (E_RNA) where: Base-Base interactions energy: -685.524 where: short stacking energy: -363.495 Base-Backbone interact. energy: 3.453 local terms energy: -550.777123 where: bonds (distance) C4'-P energy: -142.715 bonds (distance) P-C4' energy: -150.386 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -85.772 tors. eta vs tors. theta energy: -26.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -867.561616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.561616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.561616 (E_RNA) where: Base-Base interactions energy: -367.507 where: short stacking energy: -235.610 Base-Backbone interact. energy: 3.475 local terms energy: -503.529459 where: bonds (distance) C4'-P energy: -150.967 bonds (distance) P-C4' energy: -152.379 flat angles C4'-P-C4' energy: -133.359 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: 0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3179.678987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.678987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.678987 (E_RNA) where: Base-Base interactions energy: -2178.127 where: short stacking energy: -1008.624 Base-Backbone interact. energy: -1.981 local terms energy: -999.570821 where: bonds (distance) C4'-P energy: -172.960 bonds (distance) P-C4' energy: -182.402 flat angles C4'-P-C4' energy: -194.403 flat angles P-C4'-P energy: -155.908 tors. eta vs tors. theta energy: -293.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3083.633316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.633316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.633316 (E_RNA) where: Base-Base interactions energy: -2130.018 where: short stacking energy: -938.103 Base-Backbone interact. energy: -3.600 local terms energy: -950.015629 where: bonds (distance) C4'-P energy: -168.450 bonds (distance) P-C4' energy: -179.845 flat angles C4'-P-C4' energy: -204.291 flat angles P-C4'-P energy: -132.976 tors. eta vs tors. theta energy: -264.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2944.147330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.147330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.147330 (E_RNA) where: Base-Base interactions energy: -1953.358 where: short stacking energy: -884.900 Base-Backbone interact. energy: -3.682 local terms energy: -987.107923 where: bonds (distance) C4'-P energy: -178.164 bonds (distance) P-C4' energy: -196.168 flat angles C4'-P-C4' energy: -211.557 flat angles P-C4'-P energy: -145.891 tors. eta vs tors. theta energy: -255.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2761.981028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.981028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.981028 (E_RNA) where: Base-Base interactions energy: -1843.904 where: short stacking energy: -847.967 Base-Backbone interact. energy: 3.614 local terms energy: -921.691470 where: bonds (distance) C4'-P energy: -171.529 bonds (distance) P-C4' energy: -175.184 flat angles C4'-P-C4' energy: -190.551 flat angles P-C4'-P energy: -135.784 tors. eta vs tors. theta energy: -248.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2626.514806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.514806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.514806 (E_RNA) where: Base-Base interactions energy: -1781.556 where: short stacking energy: -807.985 Base-Backbone interact. energy: -2.099 local terms energy: -842.858995 where: bonds (distance) C4'-P energy: -167.978 bonds (distance) P-C4' energy: -142.072 flat angles C4'-P-C4' energy: -181.490 flat angles P-C4'-P energy: -113.114 tors. eta vs tors. theta energy: -238.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2286.387698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.387698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.387698 (E_RNA) where: Base-Base interactions energy: -1489.882 where: short stacking energy: -675.488 Base-Backbone interact. energy: 0.677 local terms energy: -797.183348 where: bonds (distance) C4'-P energy: -170.016 bonds (distance) P-C4' energy: -162.256 flat angles C4'-P-C4' energy: -173.122 flat angles P-C4'-P energy: -102.950 tors. eta vs tors. theta energy: -188.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2214.499990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.499990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.499990 (E_RNA) where: Base-Base interactions energy: -1443.680 where: short stacking energy: -638.769 Base-Backbone interact. energy: -3.095 local terms energy: -767.725278 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -158.075 flat angles C4'-P-C4' energy: -181.578 flat angles P-C4'-P energy: -110.586 tors. eta vs tors. theta energy: -168.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1521.403995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.403995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.403995 (E_RNA) where: Base-Base interactions energy: -878.625 where: short stacking energy: -435.673 Base-Backbone interact. energy: -4.728 local terms energy: -638.050913 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -143.957 flat angles C4'-P-C4' energy: -156.568 flat angles P-C4'-P energy: -90.317 tors. eta vs tors. theta energy: -91.454 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: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1198.473996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.473996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.473996 (E_RNA) where: Base-Base interactions energy: -651.220 where: short stacking energy: -348.635 Base-Backbone interact. energy: 0.965 local terms energy: -548.218925 where: bonds (distance) C4'-P energy: -156.445 bonds (distance) P-C4' energy: -138.673 flat angles C4'-P-C4' energy: -132.318 flat angles P-C4'-P energy: -82.542 tors. eta vs tors. theta energy: -38.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -875.338273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.338273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.338273 (E_RNA) where: Base-Base interactions energy: -388.627 where: short stacking energy: -244.196 Base-Backbone interact. energy: 1.542 local terms energy: -488.253214 where: bonds (distance) C4'-P energy: -148.999 bonds (distance) P-C4' energy: -174.255 flat angles C4'-P-C4' energy: -125.640 flat angles P-C4'-P energy: -63.447 tors. eta vs tors. theta energy: 24.087 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: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3212.155711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.155711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.155711 (E_RNA) where: Base-Base interactions energy: -2151.213 where: short stacking energy: -1003.734 Base-Backbone interact. energy: -2.588 local terms energy: -1058.353739 where: bonds (distance) C4'-P energy: -180.522 bonds (distance) P-C4' energy: -198.552 flat angles C4'-P-C4' energy: -212.750 flat angles P-C4'-P energy: -157.330 tors. eta vs tors. theta energy: -309.200 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: 466 Temperature: 0.950000 Total energy: -3075.525659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.525659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.525659 (E_RNA) where: Base-Base interactions energy: -2109.422 where: short stacking energy: -916.220 Base-Backbone interact. energy: -0.400 local terms energy: -965.702777 where: bonds (distance) C4'-P energy: -173.950 bonds (distance) P-C4' energy: -188.664 flat angles C4'-P-C4' energy: -207.044 flat angles P-C4'-P energy: -131.114 tors. eta vs tors. theta energy: -264.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2918.056971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.056971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.056971 (E_RNA) where: Base-Base interactions energy: -1980.464 where: short stacking energy: -870.902 Base-Backbone interact. energy: -3.777 local terms energy: -933.816207 where: bonds (distance) C4'-P energy: -180.594 bonds (distance) P-C4' energy: -175.621 flat angles C4'-P-C4' energy: -206.538 flat angles P-C4'-P energy: -125.211 tors. eta vs tors. theta energy: -245.853 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: 466 Temperature: 1.050000 Total energy: -2792.337120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.337120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.337120 (E_RNA) where: Base-Base interactions energy: -1870.120 where: short stacking energy: -835.591 Base-Backbone interact. energy: -2.405 local terms energy: -919.812262 where: bonds (distance) C4'-P energy: -173.261 bonds (distance) P-C4' energy: -149.190 flat angles C4'-P-C4' energy: -208.682 flat angles P-C4'-P energy: -136.051 tors. eta vs tors. theta energy: -252.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2627.298999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.298999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.298999 (E_RNA) where: Base-Base interactions energy: -1757.119 where: short stacking energy: -810.298 Base-Backbone interact. energy: 3.076 local terms energy: -873.256893 where: bonds (distance) C4'-P energy: -162.170 bonds (distance) P-C4' energy: -154.062 flat angles C4'-P-C4' energy: -200.972 flat angles P-C4'-P energy: -117.512 tors. eta vs tors. theta energy: -238.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2248.445146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.445146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.445146 (E_RNA) where: Base-Base interactions energy: -1509.010 where: short stacking energy: -700.054 Base-Backbone interact. energy: 7.948 local terms energy: -747.383514 where: bonds (distance) C4'-P energy: -138.034 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -162.894 flat angles P-C4'-P energy: -111.686 tors. eta vs tors. theta energy: -179.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2207.975976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.975976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.975976 (E_RNA) where: Base-Base interactions energy: -1424.739 where: short stacking energy: -659.903 Base-Backbone interact. energy: -2.034 local terms energy: -781.202384 where: bonds (distance) C4'-P energy: -163.581 bonds (distance) P-C4' energy: -140.435 flat angles C4'-P-C4' energy: -184.296 flat angles P-C4'-P energy: -112.913 tors. eta vs tors. theta energy: -179.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1531.364819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.364819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.364819 (E_RNA) where: Base-Base interactions energy: -918.448 where: short stacking energy: -441.056 Base-Backbone interact. energy: -2.531 local terms energy: -610.386350 where: bonds (distance) C4'-P energy: -144.638 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -138.980 flat angles P-C4'-P energy: -101.918 tors. eta vs tors. theta energy: -74.142 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: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1207.491535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.491535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.491535 (E_RNA) where: Base-Base interactions energy: -629.610 where: short stacking energy: -341.863 Base-Backbone interact. energy: 3.756 local terms energy: -581.637342 where: bonds (distance) C4'-P energy: -161.650 bonds (distance) P-C4' energy: -154.422 flat angles C4'-P-C4' energy: -140.234 flat angles P-C4'-P energy: -95.434 tors. eta vs tors. theta energy: -29.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -872.727954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.727954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.727954 (E_RNA) where: Base-Base interactions energy: -417.535 where: short stacking energy: -262.552 Base-Backbone interact. energy: 2.290 local terms energy: -457.482504 where: bonds (distance) C4'-P energy: -125.856 bonds (distance) P-C4' energy: -150.888 flat angles C4'-P-C4' energy: -123.914 flat angles P-C4'-P energy: -64.175 tors. eta vs tors. theta energy: 7.351 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: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3176.001124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.001124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.001124 (E_RNA) where: Base-Base interactions energy: -2148.180 where: short stacking energy: -976.607 Base-Backbone interact. energy: -3.904 local terms energy: -1023.917460 where: bonds (distance) C4'-P energy: -176.251 bonds (distance) P-C4' energy: -195.168 flat angles C4'-P-C4' energy: -213.503 flat angles P-C4'-P energy: -142.105 tors. eta vs tors. theta energy: -296.892 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: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3084.503335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.503335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.503335 (E_RNA) where: Base-Base interactions energy: -2123.640 where: short stacking energy: -926.399 Base-Backbone interact. energy: -0.139 local terms energy: -960.724550 where: bonds (distance) C4'-P energy: -179.319 bonds (distance) P-C4' energy: -182.522 flat angles C4'-P-C4' energy: -204.532 flat angles P-C4'-P energy: -132.101 tors. eta vs tors. theta energy: -262.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2895.044730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.044730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.044730 (E_RNA) where: Base-Base interactions energy: -1948.443 where: short stacking energy: -894.761 Base-Backbone interact. energy: -5.209 local terms energy: -941.392821 where: bonds (distance) C4'-P energy: -181.772 bonds (distance) P-C4' energy: -159.556 flat angles C4'-P-C4' energy: -215.868 flat angles P-C4'-P energy: -128.856 tors. eta vs tors. theta energy: -255.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2785.982569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.982569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.982569 (E_RNA) where: Base-Base interactions energy: -1905.130 where: short stacking energy: -839.722 Base-Backbone interact. energy: -2.031 local terms energy: -878.822308 where: bonds (distance) C4'-P energy: -165.874 bonds (distance) P-C4' energy: -160.009 flat angles C4'-P-C4' energy: -179.432 flat angles P-C4'-P energy: -131.899 tors. eta vs tors. theta energy: -241.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2550.426568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.426568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.426568 (E_RNA) where: Base-Base interactions energy: -1721.489 where: short stacking energy: -768.902 Base-Backbone interact. energy: 0.354 local terms energy: -829.291525 where: bonds (distance) C4'-P energy: -153.447 bonds (distance) P-C4' energy: -165.351 flat angles C4'-P-C4' energy: -183.143 flat angles P-C4'-P energy: -129.490 tors. eta vs tors. theta energy: -197.861 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: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2256.224720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.224720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.224720 (E_RNA) where: Base-Base interactions energy: -1508.430 where: short stacking energy: -687.801 Base-Backbone interact. energy: -2.351 local terms energy: -745.444045 where: bonds (distance) C4'-P energy: -158.044 bonds (distance) P-C4' energy: -153.114 flat angles C4'-P-C4' energy: -158.311 flat angles P-C4'-P energy: -109.728 tors. eta vs tors. theta energy: -166.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2136.053489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.053489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.053489 (E_RNA) where: Base-Base interactions energy: -1396.384 where: short stacking energy: -624.272 Base-Backbone interact. energy: 1.216 local terms energy: -740.884652 where: bonds (distance) C4'-P energy: -137.339 bonds (distance) P-C4' energy: -162.757 flat angles C4'-P-C4' energy: -162.604 flat angles P-C4'-P energy: -105.628 tors. eta vs tors. theta energy: -172.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1494.952638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.952638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.952638 (E_RNA) where: Base-Base interactions energy: -902.866 where: short stacking energy: -450.655 Base-Backbone interact. energy: 5.455 local terms energy: -597.542187 where: bonds (distance) C4'-P energy: -131.995 bonds (distance) P-C4' energy: -138.354 flat angles C4'-P-C4' energy: -164.951 flat angles P-C4'-P energy: -98.981 tors. eta vs tors. theta energy: -63.261 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: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1220.603016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.603016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.603016 (E_RNA) where: Base-Base interactions energy: -674.475 where: short stacking energy: -352.533 Base-Backbone interact. energy: -0.944 local terms energy: -545.183786 where: bonds (distance) C4'-P energy: -156.278 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -148.310 flat angles P-C4'-P energy: -92.298 tors. eta vs tors. theta energy: -29.198 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: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -816.237695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.237695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.237695 (E_RNA) where: Base-Base interactions energy: -348.958 where: short stacking energy: -212.398 Base-Backbone interact. energy: 5.091 local terms energy: -472.370981 where: bonds (distance) C4'-P energy: -152.429 bonds (distance) P-C4' energy: -150.055 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -74.684 tors. eta vs tors. theta energy: 29.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3174.123719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.123719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.123719 (E_RNA) where: Base-Base interactions energy: -2176.682 where: short stacking energy: -1005.663 Base-Backbone interact. energy: -3.526 local terms energy: -993.915604 where: bonds (distance) C4'-P energy: -175.545 bonds (distance) P-C4' energy: -181.426 flat angles C4'-P-C4' energy: -209.184 flat angles P-C4'-P energy: -132.840 tors. eta vs tors. theta energy: -294.921 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: 468 Temperature: 0.950000 Total energy: -3068.658606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.658606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.658606 (E_RNA) where: Base-Base interactions energy: -2097.349 where: short stacking energy: -914.478 Base-Backbone interact. energy: -2.569 local terms energy: -968.740923 where: bonds (distance) C4'-P energy: -185.183 bonds (distance) P-C4' energy: -183.776 flat angles C4'-P-C4' energy: -225.073 flat angles P-C4'-P energy: -120.961 tors. eta vs tors. theta energy: -253.748 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: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2944.013733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.013733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.013733 (E_RNA) where: Base-Base interactions energy: -2007.343 where: short stacking energy: -911.056 Base-Backbone interact. energy: -2.940 local terms energy: -933.730434 where: bonds (distance) C4'-P energy: -175.534 bonds (distance) P-C4' energy: -147.631 flat angles C4'-P-C4' energy: -202.570 flat angles P-C4'-P energy: -133.487 tors. eta vs tors. theta energy: -274.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2822.790344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.790344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.790344 (E_RNA) where: Base-Base interactions energy: -1918.747 where: short stacking energy: -861.789 Base-Backbone interact. energy: -3.145 local terms energy: -900.898425 where: bonds (distance) C4'-P energy: -156.898 bonds (distance) P-C4' energy: -168.851 flat angles C4'-P-C4' energy: -195.114 flat angles P-C4'-P energy: -131.649 tors. eta vs tors. theta energy: -248.386 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: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2540.243447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.243447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.243447 (E_RNA) where: Base-Base interactions energy: -1655.292 where: short stacking energy: -728.268 Base-Backbone interact. energy: -2.985 local terms energy: -881.965543 where: bonds (distance) C4'-P energy: -182.772 bonds (distance) P-C4' energy: -184.347 flat angles C4'-P-C4' energy: -198.136 flat angles P-C4'-P energy: -118.794 tors. eta vs tors. theta energy: -197.917 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: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2201.573263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.573263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.573263 (E_RNA) where: Base-Base interactions energy: -1408.398 where: short stacking energy: -622.871 Base-Backbone interact. energy: -2.128 local terms energy: -791.047285 where: bonds (distance) C4'-P energy: -181.551 bonds (distance) P-C4' energy: -163.300 flat angles C4'-P-C4' energy: -172.412 flat angles P-C4'-P energy: -116.333 tors. eta vs tors. theta energy: -157.450 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: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2033.772042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.772042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.772042 (E_RNA) where: Base-Base interactions energy: -1335.610 where: short stacking energy: -609.324 Base-Backbone interact. energy: 2.029 local terms energy: -700.191944 where: bonds (distance) C4'-P energy: -169.686 bonds (distance) P-C4' energy: -151.022 flat angles C4'-P-C4' energy: -150.838 flat angles P-C4'-P energy: -91.193 tors. eta vs tors. theta energy: -137.453 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: 468 Temperature: 1.250000 Total energy: -1567.486793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.486793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.486793 (E_RNA) where: Base-Base interactions energy: -948.793 where: short stacking energy: -438.514 Base-Backbone interact. energy: 0.164 local terms energy: -618.857413 where: bonds (distance) C4'-P energy: -146.084 bonds (distance) P-C4' energy: -157.936 flat angles C4'-P-C4' energy: -154.729 flat angles P-C4'-P energy: -87.445 tors. eta vs tors. theta energy: -72.664 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: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1264.399131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.399131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.399131 (E_RNA) where: Base-Base interactions energy: -713.188 where: short stacking energy: -357.287 Base-Backbone interact. energy: -0.263 local terms energy: -550.948701 where: bonds (distance) C4'-P energy: -151.982 bonds (distance) P-C4' energy: -143.801 flat angles C4'-P-C4' energy: -145.776 flat angles P-C4'-P energy: -83.925 tors. eta vs tors. theta energy: -25.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -881.248686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.248686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.248686 (E_RNA) where: Base-Base interactions energy: -405.634 where: short stacking energy: -243.432 Base-Backbone interact. energy: -1.132 local terms energy: -474.482755 where: bonds (distance) C4'-P energy: -138.801 bonds (distance) P-C4' energy: -156.131 flat angles C4'-P-C4' energy: -120.032 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: 11.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3157.640309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.640309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.640309 (E_RNA) where: Base-Base interactions energy: -2140.759 where: short stacking energy: -981.226 Base-Backbone interact. energy: -1.717 local terms energy: -1015.164626 where: bonds (distance) C4'-P energy: -192.879 bonds (distance) P-C4' energy: -183.049 flat angles C4'-P-C4' energy: -200.171 flat angles P-C4'-P energy: -149.700 tors. eta vs tors. theta energy: -289.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3087.700147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.700147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.700147 (E_RNA) where: Base-Base interactions energy: -2118.311 where: short stacking energy: -943.210 Base-Backbone interact. energy: -3.696 local terms energy: -965.693957 where: bonds (distance) C4'-P energy: -179.443 bonds (distance) P-C4' energy: -182.639 flat angles C4'-P-C4' energy: -195.693 flat angles P-C4'-P energy: -143.805 tors. eta vs tors. theta energy: -264.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2983.143506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.143506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.143506 (E_RNA) where: Base-Base interactions energy: -2050.346 where: short stacking energy: -909.912 Base-Backbone interact. energy: -0.521 local terms energy: -932.277421 where: bonds (distance) C4'-P energy: -162.022 bonds (distance) P-C4' energy: -193.045 flat angles C4'-P-C4' energy: -206.462 flat angles P-C4'-P energy: -112.725 tors. eta vs tors. theta energy: -258.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2756.507040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.507040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.507040 (E_RNA) where: Base-Base interactions energy: -1825.909 where: short stacking energy: -813.757 Base-Backbone interact. energy: -0.316 local terms energy: -930.282578 where: bonds (distance) C4'-P energy: -170.101 bonds (distance) P-C4' energy: -174.722 flat angles C4'-P-C4' energy: -191.439 flat angles P-C4'-P energy: -143.210 tors. eta vs tors. theta energy: -250.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2534.298584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.298584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.298584 (E_RNA) where: Base-Base interactions energy: -1712.307 where: short stacking energy: -747.918 Base-Backbone interact. energy: -2.792 local terms energy: -819.199182 where: bonds (distance) C4'-P energy: -169.645 bonds (distance) P-C4' energy: -144.913 flat angles C4'-P-C4' energy: -178.961 flat angles P-C4'-P energy: -109.905 tors. eta vs tors. theta energy: -215.776 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: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2283.906476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.906476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.906476 (E_RNA) where: Base-Base interactions energy: -1484.167 where: short stacking energy: -686.985 Base-Backbone interact. energy: -2.491 local terms energy: -797.247912 where: bonds (distance) C4'-P energy: -164.748 bonds (distance) P-C4' energy: -162.385 flat angles C4'-P-C4' energy: -183.255 flat angles P-C4'-P energy: -95.632 tors. eta vs tors. theta energy: -191.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2056.462498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.462498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.462498 (E_RNA) where: Base-Base interactions energy: -1306.745 where: short stacking energy: -581.594 Base-Backbone interact. energy: 3.020 local terms energy: -752.737992 where: bonds (distance) C4'-P energy: -153.893 bonds (distance) P-C4' energy: -179.634 flat angles C4'-P-C4' energy: -170.813 flat angles P-C4'-P energy: -101.127 tors. eta vs tors. theta energy: -147.271 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: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1582.023737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.023737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.023737 (E_RNA) where: Base-Base interactions energy: -971.564 where: short stacking energy: -448.935 Base-Backbone interact. energy: -0.295 local terms energy: -610.164214 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -152.288 flat angles C4'-P-C4' energy: -146.870 flat angles P-C4'-P energy: -81.868 tors. eta vs tors. theta energy: -74.233 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: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1330.867876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.867876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.867876 (E_RNA) where: Base-Base interactions energy: -787.119 where: short stacking energy: -406.149 Base-Backbone interact. energy: 4.149 local terms energy: -547.897597 where: bonds (distance) C4'-P energy: -139.245 bonds (distance) P-C4' energy: -130.455 flat angles C4'-P-C4' energy: -143.362 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: -60.023 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: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -847.929812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.929812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.929812 (E_RNA) where: Base-Base interactions energy: -376.198 where: short stacking energy: -242.681 Base-Backbone interact. energy: 1.903 local terms energy: -473.635289 where: bonds (distance) C4'-P energy: -140.621 bonds (distance) P-C4' energy: -140.051 flat angles C4'-P-C4' energy: -114.232 flat angles P-C4'-P energy: -96.286 tors. eta vs tors. theta energy: 17.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3174.658983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.658983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.658983 (E_RNA) where: Base-Base interactions energy: -2165.375 where: short stacking energy: -982.984 Base-Backbone interact. energy: -4.499 local terms energy: -1004.784988 where: bonds (distance) C4'-P energy: -182.432 bonds (distance) P-C4' energy: -171.985 flat angles C4'-P-C4' energy: -210.259 flat angles P-C4'-P energy: -134.427 tors. eta vs tors. theta energy: -305.682 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: 470 Temperature: 0.950000 Total energy: -3114.913977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.913977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.913977 (E_RNA) where: Base-Base interactions energy: -2159.372 where: short stacking energy: -939.063 Base-Backbone interact. energy: -1.748 local terms energy: -953.793525 where: bonds (distance) C4'-P energy: -165.928 bonds (distance) P-C4' energy: -167.689 flat angles C4'-P-C4' energy: -201.720 flat angles P-C4'-P energy: -147.952 tors. eta vs tors. theta energy: -270.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2983.601818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.601818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.601818 (E_RNA) where: Base-Base interactions energy: -2032.275 where: short stacking energy: -897.803 Base-Backbone interact. energy: 1.677 local terms energy: -953.004061 where: bonds (distance) C4'-P energy: -183.269 bonds (distance) P-C4' energy: -184.050 flat angles C4'-P-C4' energy: -196.697 flat angles P-C4'-P energy: -130.355 tors. eta vs tors. theta energy: -258.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2785.690471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.690471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.690471 (E_RNA) where: Base-Base interactions energy: -1896.418 where: short stacking energy: -840.355 Base-Backbone interact. energy: -5.035 local terms energy: -884.237304 where: bonds (distance) C4'-P energy: -156.911 bonds (distance) P-C4' energy: -152.148 flat angles C4'-P-C4' energy: -203.028 flat angles P-C4'-P energy: -121.993 tors. eta vs tors. theta energy: -250.157 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: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2580.738129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.738129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.738129 (E_RNA) where: Base-Base interactions energy: -1713.403 where: short stacking energy: -770.089 Base-Backbone interact. energy: -2.785 local terms energy: -864.550161 where: bonds (distance) C4'-P energy: -153.873 bonds (distance) P-C4' energy: -179.108 flat angles C4'-P-C4' energy: -194.543 flat angles P-C4'-P energy: -118.229 tors. eta vs tors. theta energy: -218.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2280.611410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.611410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.611410 (E_RNA) where: Base-Base interactions energy: -1501.399 where: short stacking energy: -670.785 Base-Backbone interact. energy: 7.394 local terms energy: -786.606588 where: bonds (distance) C4'-P energy: -164.000 bonds (distance) P-C4' energy: -172.162 flat angles C4'-P-C4' energy: -183.637 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -176.604 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: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2104.455219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.455219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.455219 (E_RNA) where: Base-Base interactions energy: -1359.130 where: short stacking energy: -631.947 Base-Backbone interact. energy: -0.498 local terms energy: -744.826744 where: bonds (distance) C4'-P energy: -165.527 bonds (distance) P-C4' energy: -165.202 flat angles C4'-P-C4' energy: -163.097 flat angles P-C4'-P energy: -99.133 tors. eta vs tors. theta energy: -151.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1603.123747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.123747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.123747 (E_RNA) where: Base-Base interactions energy: -939.540 where: short stacking energy: -436.284 Base-Backbone interact. energy: -2.277 local terms energy: -661.307216 where: bonds (distance) C4'-P energy: -166.489 bonds (distance) P-C4' energy: -172.925 flat angles C4'-P-C4' energy: -155.033 flat angles P-C4'-P energy: -90.395 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: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1400.422475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.422475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.422475 (E_RNA) where: Base-Base interactions energy: -813.099 where: short stacking energy: -390.198 Base-Backbone interact. energy: -3.985 local terms energy: -583.338554 where: bonds (distance) C4'-P energy: -140.365 bonds (distance) P-C4' energy: -144.799 flat angles C4'-P-C4' energy: -141.187 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -59.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -802.439415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.439415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.439415 (E_RNA) where: Base-Base interactions energy: -323.410 where: short stacking energy: -207.363 Base-Backbone interact. energy: 2.104 local terms energy: -481.133256 where: bonds (distance) C4'-P energy: -154.393 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -123.883 flat angles P-C4'-P energy: -75.587 tors. eta vs tors. theta energy: 32.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3167.720561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.720561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.720561 (E_RNA) where: Base-Base interactions energy: -2158.107 where: short stacking energy: -971.304 Base-Backbone interact. energy: -1.849 local terms energy: -1007.765113 where: bonds (distance) C4'-P energy: -174.171 bonds (distance) P-C4' energy: -193.274 flat angles C4'-P-C4' energy: -202.462 flat angles P-C4'-P energy: -144.448 tors. eta vs tors. theta energy: -293.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3093.358786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.358786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.358786 (E_RNA) where: Base-Base interactions energy: -2124.692 where: short stacking energy: -944.256 Base-Backbone interact. energy: 0.112 local terms energy: -968.778488 where: bonds (distance) C4'-P energy: -186.331 bonds (distance) P-C4' energy: -185.172 flat angles C4'-P-C4' energy: -195.424 flat angles P-C4'-P energy: -134.024 tors. eta vs tors. theta energy: -267.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2967.041683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.041683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.041683 (E_RNA) where: Base-Base interactions energy: -2015.986 where: short stacking energy: -898.272 Base-Backbone interact. energy: 0.034 local terms energy: -951.089710 where: bonds (distance) C4'-P energy: -175.094 bonds (distance) P-C4' energy: -178.445 flat angles C4'-P-C4' energy: -210.266 flat angles P-C4'-P energy: -126.164 tors. eta vs tors. theta energy: -261.121 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: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2828.063151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.063151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.063151 (E_RNA) where: Base-Base interactions energy: -1908.364 where: short stacking energy: -869.108 Base-Backbone interact. energy: -3.454 local terms energy: -916.245280 where: bonds (distance) C4'-P energy: -178.249 bonds (distance) P-C4' energy: -155.761 flat angles C4'-P-C4' energy: -196.698 flat angles P-C4'-P energy: -125.573 tors. eta vs tors. theta energy: -259.965 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: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2586.252733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.252733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.252733 (E_RNA) where: Base-Base interactions energy: -1733.559 where: short stacking energy: -783.227 Base-Backbone interact. energy: -2.232 local terms energy: -850.461025 where: bonds (distance) C4'-P energy: -167.965 bonds (distance) P-C4' energy: -153.813 flat angles C4'-P-C4' energy: -185.848 flat angles P-C4'-P energy: -122.966 tors. eta vs tors. theta energy: -219.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2281.584188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.584188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.584188 (E_RNA) where: Base-Base interactions energy: -1509.313 where: short stacking energy: -667.001 Base-Backbone interact. energy: -1.017 local terms energy: -771.254199 where: bonds (distance) C4'-P energy: -152.567 bonds (distance) P-C4' energy: -165.420 flat angles C4'-P-C4' energy: -170.136 flat angles P-C4'-P energy: -107.531 tors. eta vs tors. theta energy: -175.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2046.430008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.430008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.430008 (E_RNA) where: Base-Base interactions energy: -1337.719 where: short stacking energy: -610.524 Base-Backbone interact. energy: -2.856 local terms energy: -705.854279 where: bonds (distance) C4'-P energy: -159.694 bonds (distance) P-C4' energy: -131.532 flat angles C4'-P-C4' energy: -160.529 flat angles P-C4'-P energy: -96.215 tors. eta vs tors. theta energy: -157.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1591.797271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.797271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.797271 (E_RNA) where: Base-Base interactions energy: -962.528 where: short stacking energy: -454.189 Base-Backbone interact. energy: -2.069 local terms energy: -627.200812 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -142.432 flat angles C4'-P-C4' energy: -171.378 flat angles P-C4'-P energy: -83.001 tors. eta vs tors. theta energy: -84.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1334.470812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.470812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.470812 (E_RNA) where: Base-Base interactions energy: -771.830 where: short stacking energy: -369.124 Base-Backbone interact. energy: -1.263 local terms energy: -561.377101 where: bonds (distance) C4'-P energy: -141.327 bonds (distance) P-C4' energy: -150.863 flat angles C4'-P-C4' energy: -137.956 flat angles P-C4'-P energy: -90.922 tors. eta vs tors. theta energy: -40.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -862.430587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.430587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.430587 (E_RNA) where: Base-Base interactions energy: -426.058 where: short stacking energy: -246.915 Base-Backbone interact. energy: 8.131 local terms energy: -444.503959 where: bonds (distance) C4'-P energy: -147.215 bonds (distance) P-C4' energy: -136.571 flat angles C4'-P-C4' energy: -115.542 flat angles P-C4'-P energy: -78.318 tors. eta vs tors. theta energy: 33.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3170.042471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.042471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.042471 (E_RNA) where: Base-Base interactions energy: -2208.692 where: short stacking energy: -961.028 Base-Backbone interact. energy: -4.095 local terms energy: -957.254954 where: bonds (distance) C4'-P energy: -168.849 bonds (distance) P-C4' energy: -171.889 flat angles C4'-P-C4' energy: -201.817 flat angles P-C4'-P energy: -146.242 tors. eta vs tors. theta energy: -268.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3075.419927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.419927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.419927 (E_RNA) where: Base-Base interactions energy: -2106.162 where: short stacking energy: -942.793 Base-Backbone interact. energy: -2.938 local terms energy: -966.320093 where: bonds (distance) C4'-P energy: -163.935 bonds (distance) P-C4' energy: -164.277 flat angles C4'-P-C4' energy: -202.067 flat angles P-C4'-P energy: -149.743 tors. eta vs tors. theta energy: -286.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -3008.914399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.914399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.914399 (E_RNA) where: Base-Base interactions energy: -2058.956 where: short stacking energy: -909.299 Base-Backbone interact. energy: -0.176 local terms energy: -949.781999 where: bonds (distance) C4'-P energy: -174.985 bonds (distance) P-C4' energy: -173.345 flat angles C4'-P-C4' energy: -202.510 flat angles P-C4'-P energy: -132.005 tors. eta vs tors. theta energy: -266.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2770.730775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.730775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.730775 (E_RNA) where: Base-Base interactions energy: -1844.155 where: short stacking energy: -827.644 Base-Backbone interact. energy: -3.468 local terms energy: -923.107567 where: bonds (distance) C4'-P energy: -170.218 bonds (distance) P-C4' energy: -164.324 flat angles C4'-P-C4' energy: -203.002 flat angles P-C4'-P energy: -138.746 tors. eta vs tors. theta energy: -246.817 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: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2554.806602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.806602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.806602 (E_RNA) where: Base-Base interactions energy: -1704.981 where: short stacking energy: -773.899 Base-Backbone interact. energy: -0.273 local terms energy: -849.552251 where: bonds (distance) C4'-P energy: -162.505 bonds (distance) P-C4' energy: -159.286 flat angles C4'-P-C4' energy: -198.339 flat angles P-C4'-P energy: -113.707 tors. eta vs tors. theta energy: -215.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2304.820346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.820346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.820346 (E_RNA) where: Base-Base interactions energy: -1510.070 where: short stacking energy: -692.636 Base-Backbone interact. energy: -0.839 local terms energy: -793.911252 where: bonds (distance) C4'-P energy: -149.421 bonds (distance) P-C4' energy: -157.695 flat angles C4'-P-C4' energy: -185.298 flat angles P-C4'-P energy: -110.610 tors. eta vs tors. theta energy: -190.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2028.342542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.342542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.342542 (E_RNA) where: Base-Base interactions energy: -1308.799 where: short stacking energy: -586.138 Base-Backbone interact. energy: 0.299 local terms energy: -719.843479 where: bonds (distance) C4'-P energy: -151.088 bonds (distance) P-C4' energy: -161.402 flat angles C4'-P-C4' energy: -152.320 flat angles P-C4'-P energy: -101.726 tors. eta vs tors. theta energy: -153.308 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: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1591.516128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.516128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.516128 (E_RNA) where: Base-Base interactions energy: -942.809 where: short stacking energy: -422.478 Base-Backbone interact. energy: 0.308 local terms energy: -649.015368 where: bonds (distance) C4'-P energy: -154.325 bonds (distance) P-C4' energy: -177.786 flat angles C4'-P-C4' energy: -147.761 flat angles P-C4'-P energy: -95.348 tors. eta vs tors. theta energy: -73.796 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: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1345.364151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.364151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.364151 (E_RNA) where: Base-Base interactions energy: -783.728 where: short stacking energy: -376.846 Base-Backbone interact. energy: 2.668 local terms energy: -564.303626 where: bonds (distance) C4'-P energy: -146.347 bonds (distance) P-C4' energy: -168.741 flat angles C4'-P-C4' energy: -141.769 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -21.318 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: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -850.648781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.648781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.648781 (E_RNA) where: Base-Base interactions energy: -384.696 where: short stacking energy: -233.266 Base-Backbone interact. energy: 4.126 local terms energy: -470.078329 where: bonds (distance) C4'-P energy: -151.083 bonds (distance) P-C4' energy: -134.895 flat angles C4'-P-C4' energy: -129.911 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: 25.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3145.211416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.211416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.211416 (E_RNA) where: Base-Base interactions energy: -2161.797 where: short stacking energy: -953.931 Base-Backbone interact. energy: -0.457 local terms energy: -982.956847 where: bonds (distance) C4'-P energy: -174.588 bonds (distance) P-C4' energy: -174.369 flat angles C4'-P-C4' energy: -207.631 flat angles P-C4'-P energy: -146.686 tors. eta vs tors. theta energy: -279.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3093.024490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.024490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.024490 (E_RNA) where: Base-Base interactions energy: -2084.900 where: short stacking energy: -941.594 Base-Backbone interact. energy: -2.014 local terms energy: -1006.111136 where: bonds (distance) C4'-P energy: -172.693 bonds (distance) P-C4' energy: -196.455 flat angles C4'-P-C4' energy: -191.399 flat angles P-C4'-P energy: -149.811 tors. eta vs tors. theta energy: -295.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2976.987616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.987616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.987616 (E_RNA) where: Base-Base interactions energy: -2025.522 where: short stacking energy: -915.967 Base-Backbone interact. energy: 0.142 local terms energy: -951.608171 where: bonds (distance) C4'-P energy: -170.820 bonds (distance) P-C4' energy: -167.095 flat angles C4'-P-C4' energy: -208.426 flat angles P-C4'-P energy: -145.431 tors. eta vs tors. theta energy: -259.836 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: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2765.601892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.601892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.601892 (E_RNA) where: Base-Base interactions energy: -1847.051 where: short stacking energy: -840.511 Base-Backbone interact. energy: 1.498 local terms energy: -920.048850 where: bonds (distance) C4'-P energy: -170.498 bonds (distance) P-C4' energy: -177.076 flat angles C4'-P-C4' energy: -210.129 flat angles P-C4'-P energy: -124.583 tors. eta vs tors. theta energy: -237.762 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: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2556.376339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.376339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.376339 (E_RNA) where: Base-Base interactions energy: -1722.034 where: short stacking energy: -760.497 Base-Backbone interact. energy: -2.217 local terms energy: -832.125785 where: bonds (distance) C4'-P energy: -139.705 bonds (distance) P-C4' energy: -161.201 flat angles C4'-P-C4' energy: -194.465 flat angles P-C4'-P energy: -115.571 tors. eta vs tors. theta energy: -221.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2348.464515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.464515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.464515 (E_RNA) where: Base-Base interactions energy: -1542.963 where: short stacking energy: -690.889 Base-Backbone interact. energy: -0.755 local terms energy: -804.746670 where: bonds (distance) C4'-P energy: -166.975 bonds (distance) P-C4' energy: -167.784 flat angles C4'-P-C4' energy: -168.481 flat angles P-C4'-P energy: -122.438 tors. eta vs tors. theta energy: -179.069 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: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1943.172994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.172994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.172994 (E_RNA) where: Base-Base interactions energy: -1272.484 where: short stacking energy: -580.368 Base-Backbone interact. energy: 3.946 local terms energy: -674.634744 where: bonds (distance) C4'-P energy: -149.196 bonds (distance) P-C4' energy: -152.032 flat angles C4'-P-C4' energy: -161.392 flat angles P-C4'-P energy: -90.252 tors. eta vs tors. theta energy: -121.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1587.909963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.909963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.909963 (E_RNA) where: Base-Base interactions energy: -989.376 where: short stacking energy: -503.988 Base-Backbone interact. energy: 3.855 local terms energy: -602.388762 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -159.953 flat angles C4'-P-C4' energy: -141.792 flat angles P-C4'-P energy: -87.187 tors. eta vs tors. theta energy: -79.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1363.333885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.333885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.333885 (E_RNA) where: Base-Base interactions energy: -792.560 where: short stacking energy: -395.494 Base-Backbone interact. energy: -1.346 local terms energy: -569.428365 where: bonds (distance) C4'-P energy: -150.096 bonds (distance) P-C4' energy: -149.890 flat angles C4'-P-C4' energy: -138.909 flat angles P-C4'-P energy: -79.740 tors. eta vs tors. theta energy: -50.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -765.604914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.604914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.604914 (E_RNA) where: Base-Base interactions energy: -315.303 where: short stacking energy: -229.790 Base-Backbone interact. energy: -1.306 local terms energy: -448.995495 where: bonds (distance) C4'-P energy: -118.030 bonds (distance) P-C4' energy: -163.528 flat angles C4'-P-C4' energy: -122.870 flat angles P-C4'-P energy: -77.661 tors. eta vs tors. theta energy: 33.094 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: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3160.326099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.326099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.326099 (E_RNA) where: Base-Base interactions energy: -2141.419 where: short stacking energy: -961.442 Base-Backbone interact. energy: -1.052 local terms energy: -1017.855428 where: bonds (distance) C4'-P energy: -179.780 bonds (distance) P-C4' energy: -201.472 flat angles C4'-P-C4' energy: -209.059 flat angles P-C4'-P energy: -134.340 tors. eta vs tors. theta energy: -293.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3078.250359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.250359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.250359 (E_RNA) where: Base-Base interactions energy: -2115.481 where: short stacking energy: -900.017 Base-Backbone interact. energy: 0.164 local terms energy: -962.933570 where: bonds (distance) C4'-P energy: -177.326 bonds (distance) P-C4' energy: -190.416 flat angles C4'-P-C4' energy: -208.354 flat angles P-C4'-P energy: -124.555 tors. eta vs tors. theta energy: -262.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2993.767016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.767016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.767016 (E_RNA) where: Base-Base interactions energy: -2015.689 where: short stacking energy: -913.412 Base-Backbone interact. energy: -2.683 local terms energy: -975.395113 where: bonds (distance) C4'-P energy: -172.511 bonds (distance) P-C4' energy: -187.426 flat angles C4'-P-C4' energy: -197.995 flat angles P-C4'-P energy: -150.551 tors. eta vs tors. theta energy: -266.912 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: 474 Temperature: 1.050000 Total energy: -2816.178343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.178343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.178343 (E_RNA) where: Base-Base interactions energy: -1923.438 where: short stacking energy: -859.437 Base-Backbone interact. energy: 1.761 local terms energy: -894.501400 where: bonds (distance) C4'-P energy: -174.633 bonds (distance) P-C4' energy: -149.945 flat angles C4'-P-C4' energy: -196.504 flat angles P-C4'-P energy: -122.648 tors. eta vs tors. theta energy: -250.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2547.040181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.040181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.040181 (E_RNA) where: Base-Base interactions energy: -1717.582 where: short stacking energy: -761.049 Base-Backbone interact. energy: -2.936 local terms energy: -826.522143 where: bonds (distance) C4'-P energy: -172.463 bonds (distance) P-C4' energy: -154.723 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -110.941 tors. eta vs tors. theta energy: -210.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2304.671775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.671775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.671775 (E_RNA) where: Base-Base interactions energy: -1513.950 where: short stacking energy: -705.036 Base-Backbone interact. energy: -2.897 local terms energy: -787.824332 where: bonds (distance) C4'-P energy: -158.458 bonds (distance) P-C4' energy: -167.301 flat angles C4'-P-C4' energy: -167.910 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -189.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1969.836018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.836018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.836018 (E_RNA) where: Base-Base interactions energy: -1258.843 where: short stacking energy: -581.078 Base-Backbone interact. energy: 4.975 local terms energy: -715.967623 where: bonds (distance) C4'-P energy: -154.176 bonds (distance) P-C4' energy: -150.167 flat angles C4'-P-C4' energy: -159.869 flat angles P-C4'-P energy: -119.286 tors. eta vs tors. theta energy: -132.469 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: 474 Temperature: 1.250000 Total energy: -1588.235337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.235337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.235337 (E_RNA) where: Base-Base interactions energy: -969.063 where: short stacking energy: -443.193 Base-Backbone interact. energy: -1.481 local terms energy: -617.690764 where: bonds (distance) C4'-P energy: -153.076 bonds (distance) P-C4' energy: -156.496 flat angles C4'-P-C4' energy: -147.387 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -85.659 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: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1277.143563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.143563 (E_RNA) where: Base-Base interactions energy: -703.741 where: short stacking energy: -354.413 Base-Backbone interact. energy: -3.483 local terms energy: -569.919638 where: bonds (distance) C4'-P energy: -141.782 bonds (distance) P-C4' energy: -167.462 flat angles C4'-P-C4' energy: -142.552 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -39.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -749.453783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.453783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.453783 (E_RNA) where: Base-Base interactions energy: -264.821 where: short stacking energy: -199.418 Base-Backbone interact. energy: -0.205 local terms energy: -484.427538 where: bonds (distance) C4'-P energy: -131.977 bonds (distance) P-C4' energy: -152.161 flat angles C4'-P-C4' energy: -128.006 flat angles P-C4'-P energy: -89.446 tors. eta vs tors. theta energy: 17.163 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: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3159.825139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.825139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.825139 (E_RNA) where: Base-Base interactions energy: -2134.896 where: short stacking energy: -969.345 Base-Backbone interact. energy: -1.914 local terms energy: -1023.015772 where: bonds (distance) C4'-P energy: -170.854 bonds (distance) P-C4' energy: -186.014 flat angles C4'-P-C4' energy: -228.366 flat angles P-C4'-P energy: -138.136 tors. eta vs tors. theta energy: -299.646 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: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3103.027893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.027893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.027893 (E_RNA) where: Base-Base interactions energy: -2152.752 where: short stacking energy: -949.275 Base-Backbone interact. energy: -5.508 local terms energy: -944.767796 where: bonds (distance) C4'-P energy: -163.418 bonds (distance) P-C4' energy: -179.034 flat angles C4'-P-C4' energy: -202.217 flat angles P-C4'-P energy: -136.728 tors. eta vs tors. theta energy: -263.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2998.784421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.784421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.784421 (E_RNA) where: Base-Base interactions energy: -2056.682 where: short stacking energy: -907.165 Base-Backbone interact. energy: -1.331 local terms energy: -940.772224 where: bonds (distance) C4'-P energy: -172.768 bonds (distance) P-C4' energy: -181.990 flat angles C4'-P-C4' energy: -208.858 flat angles P-C4'-P energy: -106.432 tors. eta vs tors. theta energy: -270.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2848.684405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.684405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.684405 (E_RNA) where: Base-Base interactions energy: -1935.135 where: short stacking energy: -876.709 Base-Backbone interact. energy: 0.302 local terms energy: -913.851215 where: bonds (distance) C4'-P energy: -173.573 bonds (distance) P-C4' energy: -163.733 flat angles C4'-P-C4' energy: -190.390 flat angles P-C4'-P energy: -123.145 tors. eta vs tors. theta energy: -263.011 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: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2543.198639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.198639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.198639 (E_RNA) where: Base-Base interactions energy: -1704.562 where: short stacking energy: -779.106 Base-Backbone interact. energy: -6.480 local terms energy: -832.156202 where: bonds (distance) C4'-P energy: -139.507 bonds (distance) P-C4' energy: -168.625 flat angles C4'-P-C4' energy: -194.480 flat angles P-C4'-P energy: -117.195 tors. eta vs tors. theta energy: -212.349 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: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2362.699243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.699243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.699243 (E_RNA) where: Base-Base interactions energy: -1569.243 where: short stacking energy: -689.103 Base-Backbone interact. energy: 9.592 local terms energy: -803.047407 where: bonds (distance) C4'-P energy: -150.756 bonds (distance) P-C4' energy: -165.691 flat angles C4'-P-C4' energy: -186.113 flat angles P-C4'-P energy: -115.296 tors. eta vs tors. theta energy: -185.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1997.713014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.713014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.713014 (E_RNA) where: Base-Base interactions energy: -1289.142 where: short stacking energy: -586.655 Base-Backbone interact. energy: -1.826 local terms energy: -706.744819 where: bonds (distance) C4'-P energy: -142.436 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -171.414 flat angles P-C4'-P energy: -106.178 tors. eta vs tors. theta energy: -129.842 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: 475 Temperature: 1.250000 Total energy: -1595.335224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.335224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.335224 (E_RNA) where: Base-Base interactions energy: -979.281 where: short stacking energy: -458.485 Base-Backbone interact. energy: 1.435 local terms energy: -617.489956 where: bonds (distance) C4'-P energy: -140.113 bonds (distance) P-C4' energy: -175.771 flat angles C4'-P-C4' energy: -124.301 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -85.573 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: 7 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1208.222637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.222637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.222637 (E_RNA) where: Base-Base interactions energy: -658.604 where: short stacking energy: -347.827 Base-Backbone interact. energy: 2.570 local terms energy: -552.189242 where: bonds (distance) C4'-P energy: -146.932 bonds (distance) P-C4' energy: -180.222 flat angles C4'-P-C4' energy: -131.916 flat angles P-C4'-P energy: -66.573 tors. eta vs tors. theta energy: -26.546 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: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -763.946769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.946769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.946769 (E_RNA) where: Base-Base interactions energy: -290.359 where: short stacking energy: -213.590 Base-Backbone interact. energy: -2.223 local terms energy: -471.364688 where: bonds (distance) C4'-P energy: -126.884 bonds (distance) P-C4' energy: -167.562 flat angles C4'-P-C4' energy: -118.553 flat angles P-C4'-P energy: -83.922 tors. eta vs tors. theta energy: 25.556 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: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3198.586536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.586536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.586536 (E_RNA) where: Base-Base interactions energy: -2169.838 where: short stacking energy: -1008.565 Base-Backbone interact. energy: -1.800 local terms energy: -1026.948669 where: bonds (distance) C4'-P energy: -180.195 bonds (distance) P-C4' energy: -172.394 flat angles C4'-P-C4' energy: -225.000 flat angles P-C4'-P energy: -141.065 tors. eta vs tors. theta energy: -308.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3110.299062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.299062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.299062 (E_RNA) where: Base-Base interactions energy: -2141.804 where: short stacking energy: -949.293 Base-Backbone interact. energy: -3.955 local terms energy: -964.540069 where: bonds (distance) C4'-P energy: -169.747 bonds (distance) P-C4' energy: -186.538 flat angles C4'-P-C4' energy: -213.315 flat angles P-C4'-P energy: -129.040 tors. eta vs tors. theta energy: -265.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2983.844347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.844347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.844347 (E_RNA) where: Base-Base interactions energy: -2044.510 where: short stacking energy: -926.819 Base-Backbone interact. energy: -4.412 local terms energy: -934.922139 where: bonds (distance) C4'-P energy: -142.555 bonds (distance) P-C4' energy: -180.042 flat angles C4'-P-C4' energy: -205.232 flat angles P-C4'-P energy: -134.201 tors. eta vs tors. theta energy: -272.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2827.170142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.170142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.170142 (E_RNA) where: Base-Base interactions energy: -1925.573 where: short stacking energy: -875.532 Base-Backbone interact. energy: -1.618 local terms energy: -899.979300 where: bonds (distance) C4'-P energy: -155.723 bonds (distance) P-C4' energy: -177.136 flat angles C4'-P-C4' energy: -199.704 flat angles P-C4'-P energy: -115.416 tors. eta vs tors. theta energy: -252.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2616.436049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.436049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.436049 (E_RNA) where: Base-Base interactions energy: -1758.770 where: short stacking energy: -802.275 Base-Backbone interact. energy: -2.364 local terms energy: -855.301951 where: bonds (distance) C4'-P energy: -163.159 bonds (distance) P-C4' energy: -172.382 flat angles C4'-P-C4' energy: -179.614 flat angles P-C4'-P energy: -125.754 tors. eta vs tors. theta energy: -214.393 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: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2333.608384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.608384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.608384 (E_RNA) where: Base-Base interactions energy: -1526.161 where: short stacking energy: -708.550 Base-Backbone interact. energy: -0.622 local terms energy: -806.825547 where: bonds (distance) C4'-P energy: -169.124 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -164.944 flat angles P-C4'-P energy: -113.179 tors. eta vs tors. theta energy: -202.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2033.092659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.092659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.092659 (E_RNA) where: Base-Base interactions energy: -1316.799 where: short stacking energy: -589.040 Base-Backbone interact. energy: -0.457 local terms energy: -715.836670 where: bonds (distance) C4'-P energy: -146.079 bonds (distance) P-C4' energy: -150.113 flat angles C4'-P-C4' energy: -164.397 flat angles P-C4'-P energy: -100.477 tors. eta vs tors. theta energy: -154.771 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: 8, replica: 4 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1612.764370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.764370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.764370 (E_RNA) where: Base-Base interactions energy: -1009.075 where: short stacking energy: -455.906 Base-Backbone interact. energy: -4.731 local terms energy: -598.958535 where: bonds (distance) C4'-P energy: -133.820 bonds (distance) P-C4' energy: -157.935 flat angles C4'-P-C4' energy: -149.463 flat angles P-C4'-P energy: -87.881 tors. eta vs tors. theta energy: -69.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1092.465705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.465705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.465705 (E_RNA) where: Base-Base interactions energy: -587.751 where: short stacking energy: -326.834 Base-Backbone interact. energy: 0.467 local terms energy: -505.182259 where: bonds (distance) C4'-P energy: -148.477 bonds (distance) P-C4' energy: -152.744 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -769.410337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.410337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.410337 (E_RNA) where: Base-Base interactions energy: -315.079 where: short stacking energy: -238.876 Base-Backbone interact. energy: 3.029 local terms energy: -457.360600 where: bonds (distance) C4'-P energy: -151.960 bonds (distance) P-C4' energy: -150.522 flat angles C4'-P-C4' energy: -140.768 flat angles P-C4'-P energy: -41.199 tors. eta vs tors. theta energy: 27.089 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: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3168.756356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.756356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.756356 (E_RNA) where: Base-Base interactions energy: -2138.362 where: short stacking energy: -996.499 Base-Backbone interact. energy: 0.645 local terms energy: -1031.039175 where: bonds (distance) C4'-P energy: -187.993 bonds (distance) P-C4' energy: -189.498 flat angles C4'-P-C4' energy: -213.806 flat angles P-C4'-P energy: -138.682 tors. eta vs tors. theta energy: -301.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3081.707778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.707778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.707778 (E_RNA) where: Base-Base interactions energy: -2093.280 where: short stacking energy: -917.366 Base-Backbone interact. energy: -5.039 local terms energy: -983.388663 where: bonds (distance) C4'-P energy: -178.945 bonds (distance) P-C4' energy: -198.432 flat angles C4'-P-C4' energy: -206.167 flat angles P-C4'-P energy: -129.284 tors. eta vs tors. theta energy: -270.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2984.389760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.389760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.389760 (E_RNA) where: Base-Base interactions energy: -2018.320 where: short stacking energy: -910.840 Base-Backbone interact. energy: -5.190 local terms energy: -960.880511 where: bonds (distance) C4'-P energy: -174.865 bonds (distance) P-C4' energy: -164.013 flat angles C4'-P-C4' energy: -205.849 flat angles P-C4'-P energy: -139.985 tors. eta vs tors. theta energy: -276.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2869.662704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.662704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.662704 (E_RNA) where: Base-Base interactions energy: -1920.358 where: short stacking energy: -871.547 Base-Backbone interact. energy: -1.127 local terms energy: -948.177713 where: bonds (distance) C4'-P energy: -168.003 bonds (distance) P-C4' energy: -174.647 flat angles C4'-P-C4' energy: -214.464 flat angles P-C4'-P energy: -127.483 tors. eta vs tors. theta energy: -263.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2558.904896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.904896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.904896 (E_RNA) where: Base-Base interactions energy: -1723.192 where: short stacking energy: -787.295 Base-Backbone interact. energy: -4.850 local terms energy: -830.862645 where: bonds (distance) C4'-P energy: -153.514 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -184.486 flat angles P-C4'-P energy: -127.819 tors. eta vs tors. theta energy: -208.168 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: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2360.036518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.036518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.036518 (E_RNA) where: Base-Base interactions energy: -1566.457 where: short stacking energy: -696.179 Base-Backbone interact. energy: -3.135 local terms energy: -790.444643 where: bonds (distance) C4'-P energy: -138.323 bonds (distance) P-C4' energy: -162.976 flat angles C4'-P-C4' energy: -177.318 flat angles P-C4'-P energy: -126.887 tors. eta vs tors. theta energy: -184.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1990.949689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.949689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.949689 (E_RNA) where: Base-Base interactions energy: -1263.870 where: short stacking energy: -573.674 Base-Backbone interact. energy: 3.773 local terms energy: -730.851804 where: bonds (distance) C4'-P energy: -167.862 bonds (distance) P-C4' energy: -150.894 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -124.819 tors. eta vs tors. theta energy: -131.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1536.444676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.444676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.444676 (E_RNA) where: Base-Base interactions energy: -895.055 where: short stacking energy: -463.429 Base-Backbone interact. energy: -3.895 local terms energy: -637.495426 where: bonds (distance) C4'-P energy: -143.944 bonds (distance) P-C4' energy: -143.595 flat angles C4'-P-C4' energy: -156.377 flat angles P-C4'-P energy: -114.757 tors. eta vs tors. theta energy: -78.821 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: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1109.591715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.591715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.591715 (E_RNA) where: Base-Base interactions energy: -586.951 where: short stacking energy: -335.266 Base-Backbone interact. energy: -4.023 local terms energy: -518.617323 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -151.552 flat angles C4'-P-C4' energy: -139.986 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -13.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -789.014522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.014522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.014522 (E_RNA) where: Base-Base interactions energy: -317.510 where: short stacking energy: -242.016 Base-Backbone interact. energy: 5.101 local terms energy: -476.605467 where: bonds (distance) C4'-P energy: -139.337 bonds (distance) P-C4' energy: -159.894 flat angles C4'-P-C4' energy: -109.446 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: 17.347 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: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3190.862872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.862872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.862872 (E_RNA) where: Base-Base interactions energy: -2165.536 where: short stacking energy: -1009.562 Base-Backbone interact. energy: -1.206 local terms energy: -1024.121027 where: bonds (distance) C4'-P energy: -186.750 bonds (distance) P-C4' energy: -174.849 flat angles C4'-P-C4' energy: -212.199 flat angles P-C4'-P energy: -157.863 tors. eta vs tors. theta energy: -292.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -3114.321931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.321931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.321931 (E_RNA) where: Base-Base interactions energy: -2136.707 where: short stacking energy: -941.980 Base-Backbone interact. energy: 3.450 local terms energy: -981.064417 where: bonds (distance) C4'-P energy: -168.124 bonds (distance) P-C4' energy: -185.253 flat angles C4'-P-C4' energy: -219.346 flat angles P-C4'-P energy: -141.716 tors. eta vs tors. theta energy: -266.625 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: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2989.325350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.325350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.325350 (E_RNA) where: Base-Base interactions energy: -2011.071 where: short stacking energy: -890.203 Base-Backbone interact. energy: -1.042 local terms energy: -977.211909 where: bonds (distance) C4'-P energy: -177.714 bonds (distance) P-C4' energy: -176.878 flat angles C4'-P-C4' energy: -217.636 flat angles P-C4'-P energy: -139.848 tors. eta vs tors. theta energy: -265.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2786.123963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.123963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.123963 (E_RNA) where: Base-Base interactions energy: -1877.008 where: short stacking energy: -862.351 Base-Backbone interact. energy: -4.674 local terms energy: -904.441717 where: bonds (distance) C4'-P energy: -154.095 bonds (distance) P-C4' energy: -177.094 flat angles C4'-P-C4' energy: -197.353 flat angles P-C4'-P energy: -126.515 tors. eta vs tors. theta energy: -249.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2534.897693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.897693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.897693 (E_RNA) where: Base-Base interactions energy: -1691.259 where: short stacking energy: -746.273 Base-Backbone interact. energy: -1.431 local terms energy: -842.208054 where: bonds (distance) C4'-P energy: -178.433 bonds (distance) P-C4' energy: -157.054 flat angles C4'-P-C4' energy: -189.428 flat angles P-C4'-P energy: -109.127 tors. eta vs tors. theta energy: -208.166 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: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2346.575323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.575323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.575323 (E_RNA) where: Base-Base interactions energy: -1554.488 where: short stacking energy: -735.940 Base-Backbone interact. energy: -1.790 local terms energy: -790.297971 where: bonds (distance) C4'-P energy: -152.684 bonds (distance) P-C4' energy: -171.475 flat angles C4'-P-C4' energy: -173.411 flat angles P-C4'-P energy: -95.298 tors. eta vs tors. theta energy: -197.429 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: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2006.128387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.128387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.128387 (E_RNA) where: Base-Base interactions energy: -1276.644 where: short stacking energy: -580.360 Base-Backbone interact. energy: 3.063 local terms energy: -732.547408 where: bonds (distance) C4'-P energy: -172.315 bonds (distance) P-C4' energy: -148.751 flat angles C4'-P-C4' energy: -165.675 flat angles P-C4'-P energy: -102.473 tors. eta vs tors. theta energy: -143.335 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: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1529.482173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.482173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.482173 (E_RNA) where: Base-Base interactions energy: -894.366 where: short stacking energy: -448.897 Base-Backbone interact. energy: 0.186 local terms energy: -635.301604 where: bonds (distance) C4'-P energy: -159.468 bonds (distance) P-C4' energy: -143.137 flat angles C4'-P-C4' energy: -141.030 flat angles P-C4'-P energy: -104.538 tors. eta vs tors. theta energy: -87.128 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: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1066.466030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.466030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.466030 (E_RNA) where: Base-Base interactions energy: -564.240 where: short stacking energy: -293.118 Base-Backbone interact. energy: -3.781 local terms energy: -498.444917 where: bonds (distance) C4'-P energy: -146.701 bonds (distance) P-C4' energy: -158.852 flat angles C4'-P-C4' energy: -110.095 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -759.366578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.366578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.366578 (E_RNA) where: Base-Base interactions energy: -272.483 where: short stacking energy: -200.378 Base-Backbone interact. energy: -0.462 local terms energy: -486.422064 where: bonds (distance) C4'-P energy: -145.920 bonds (distance) P-C4' energy: -160.335 flat angles C4'-P-C4' energy: -112.076 flat angles P-C4'-P energy: -84.151 tors. eta vs tors. theta energy: 16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3186.190917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.190917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.190917 (E_RNA) where: Base-Base interactions energy: -2148.227 where: short stacking energy: -994.053 Base-Backbone interact. energy: -1.507 local terms energy: -1036.456292 where: bonds (distance) C4'-P energy: -183.387 bonds (distance) P-C4' energy: -177.562 flat angles C4'-P-C4' energy: -217.790 flat angles P-C4'-P energy: -154.750 tors. eta vs tors. theta energy: -302.966 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: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3081.588038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.588038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.588038 (E_RNA) where: Base-Base interactions energy: -2093.432 where: short stacking energy: -931.109 Base-Backbone interact. energy: 3.154 local terms energy: -991.310402 where: bonds (distance) C4'-P energy: -177.558 bonds (distance) P-C4' energy: -194.436 flat angles C4'-P-C4' energy: -213.764 flat angles P-C4'-P energy: -142.406 tors. eta vs tors. theta energy: -263.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -3000.996161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.996161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.996161 (E_RNA) where: Base-Base interactions energy: -2078.580 where: short stacking energy: -914.811 Base-Backbone interact. energy: -5.040 local terms energy: -917.376657 where: bonds (distance) C4'-P energy: -160.656 bonds (distance) P-C4' energy: -172.428 flat angles C4'-P-C4' energy: -205.301 flat angles P-C4'-P energy: -122.974 tors. eta vs tors. theta energy: -256.017 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: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2745.120867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.120867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.120867 (E_RNA) where: Base-Base interactions energy: -1834.268 where: short stacking energy: -841.226 Base-Backbone interact. energy: 2.191 local terms energy: -913.044555 where: bonds (distance) C4'-P energy: -163.254 bonds (distance) P-C4' energy: -170.901 flat angles C4'-P-C4' energy: -200.251 flat angles P-C4'-P energy: -130.962 tors. eta vs tors. theta energy: -247.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2599.081694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.081694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.081694 (E_RNA) where: Base-Base interactions energy: -1727.332 where: short stacking energy: -811.886 Base-Backbone interact. energy: 4.164 local terms energy: -875.913486 where: bonds (distance) C4'-P energy: -157.028 bonds (distance) P-C4' energy: -160.016 flat angles C4'-P-C4' energy: -184.487 flat angles P-C4'-P energy: -133.678 tors. eta vs tors. theta energy: -240.705 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: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2295.307455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.307455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.307455 (E_RNA) where: Base-Base interactions energy: -1498.386 where: short stacking energy: -663.620 Base-Backbone interact. energy: -4.327 local terms energy: -792.594397 where: bonds (distance) C4'-P energy: -152.036 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -189.007 flat angles P-C4'-P energy: -120.442 tors. eta vs tors. theta energy: -177.164 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: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1998.011347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.011347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.011347 (E_RNA) where: Base-Base interactions energy: -1268.344 where: short stacking energy: -588.932 Base-Backbone interact. energy: -3.256 local terms energy: -726.410503 where: bonds (distance) C4'-P energy: -142.094 bonds (distance) P-C4' energy: -179.509 flat angles C4'-P-C4' energy: -154.245 flat angles P-C4'-P energy: -101.487 tors. eta vs tors. theta energy: -149.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1546.763061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.763061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.763061 (E_RNA) where: Base-Base interactions energy: -916.591 where: short stacking energy: -447.702 Base-Backbone interact. energy: 6.583 local terms energy: -636.755401 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -157.856 flat angles C4'-P-C4' energy: -164.840 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -83.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1043.038882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.038882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.038882 (E_RNA) where: Base-Base interactions energy: -535.439 where: short stacking energy: -295.689 Base-Backbone interact. energy: -2.030 local terms energy: -505.569868 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -171.532 flat angles C4'-P-C4' energy: -110.495 flat angles P-C4'-P energy: -84.182 tors. eta vs tors. theta energy: -10.053 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: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -743.738712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.738712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.738712 (E_RNA) where: Base-Base interactions energy: -273.677 where: short stacking energy: -205.507 Base-Backbone interact. energy: 2.719 local terms energy: -472.781013 where: bonds (distance) C4'-P energy: -164.450 bonds (distance) P-C4' energy: -170.064 flat angles C4'-P-C4' energy: -124.955 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: 34.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3233.896620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.896620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.896620 (E_RNA) where: Base-Base interactions energy: -2174.913 where: short stacking energy: -1014.458 Base-Backbone interact. energy: -2.975 local terms energy: -1056.008688 where: bonds (distance) C4'-P energy: -185.609 bonds (distance) P-C4' energy: -183.228 flat angles C4'-P-C4' energy: -226.104 flat angles P-C4'-P energy: -152.944 tors. eta vs tors. theta energy: -308.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3075.558899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.558899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.558899 (E_RNA) where: Base-Base interactions energy: -2100.326 where: short stacking energy: -928.851 Base-Backbone interact. energy: 0.403 local terms energy: -975.636338 where: bonds (distance) C4'-P energy: -178.736 bonds (distance) P-C4' energy: -180.403 flat angles C4'-P-C4' energy: -198.931 flat angles P-C4'-P energy: -140.433 tors. eta vs tors. theta energy: -277.133 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: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -3041.125051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.125051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.125051 (E_RNA) where: Base-Base interactions energy: -2098.616 where: short stacking energy: -902.416 Base-Backbone interact. energy: -3.936 local terms energy: -938.573737 where: bonds (distance) C4'-P energy: -168.233 bonds (distance) P-C4' energy: -177.213 flat angles C4'-P-C4' energy: -214.799 flat angles P-C4'-P energy: -131.734 tors. eta vs tors. theta energy: -246.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2812.895701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.895701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.895701 (E_RNA) where: Base-Base interactions energy: -1892.183 where: short stacking energy: -863.622 Base-Backbone interact. energy: -2.793 local terms energy: -917.919506 where: bonds (distance) C4'-P energy: -160.217 bonds (distance) P-C4' energy: -176.379 flat angles C4'-P-C4' energy: -204.531 flat angles P-C4'-P energy: -124.053 tors. eta vs tors. theta energy: -252.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2576.223641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.223641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.223641 (E_RNA) where: Base-Base interactions energy: -1688.430 where: short stacking energy: -783.084 Base-Backbone interact. energy: -3.230 local terms energy: -884.563220 where: bonds (distance) C4'-P energy: -171.864 bonds (distance) P-C4' energy: -168.504 flat angles C4'-P-C4' energy: -187.875 flat angles P-C4'-P energy: -125.976 tors. eta vs tors. theta energy: -230.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2399.637756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.637756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.637756 (E_RNA) where: Base-Base interactions energy: -1586.674 where: short stacking energy: -729.426 Base-Backbone interact. energy: -6.388 local terms energy: -806.575124 where: bonds (distance) C4'-P energy: -150.537 bonds (distance) P-C4' energy: -168.842 flat angles C4'-P-C4' energy: -185.939 flat angles P-C4'-P energy: -100.480 tors. eta vs tors. theta energy: -200.778 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: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2024.041990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.041990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.041990 (E_RNA) where: Base-Base interactions energy: -1290.874 where: short stacking energy: -576.316 Base-Backbone interact. energy: 1.547 local terms energy: -734.715087 where: bonds (distance) C4'-P energy: -159.109 bonds (distance) P-C4' energy: -160.958 flat angles C4'-P-C4' energy: -172.638 flat angles P-C4'-P energy: -97.081 tors. eta vs tors. theta energy: -144.929 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: 480 Temperature: 1.250000 Total energy: -1570.060792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.060792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.060792 (E_RNA) where: Base-Base interactions energy: -911.342 where: short stacking energy: -447.831 Base-Backbone interact. energy: -3.282 local terms energy: -655.436281 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -160.700 flat angles C4'-P-C4' energy: -166.430 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -84.841 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: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1164.739671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.739671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.739671 (E_RNA) where: Base-Base interactions energy: -607.371 where: short stacking energy: -331.768 Base-Backbone interact. energy: -3.145 local terms energy: -554.223352 where: bonds (distance) C4'-P energy: -146.282 bonds (distance) P-C4' energy: -142.098 flat angles C4'-P-C4' energy: -127.262 flat angles P-C4'-P energy: -104.035 tors. eta vs tors. theta energy: -34.547 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: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -742.752163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.752163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.752163 (E_RNA) where: Base-Base interactions energy: -297.952 where: short stacking energy: -210.875 Base-Backbone interact. energy: -1.189 local terms energy: -443.611124 where: bonds (distance) C4'-P energy: -143.767 bonds (distance) P-C4' energy: -159.953 flat angles C4'-P-C4' energy: -118.081 flat angles P-C4'-P energy: -50.335 tors. eta vs tors. theta energy: 28.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3178.288678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.288678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.288678 (E_RNA) where: Base-Base interactions energy: -2157.761 where: short stacking energy: -1020.176 Base-Backbone interact. energy: -2.050 local terms energy: -1018.477561 where: bonds (distance) C4'-P energy: -173.332 bonds (distance) P-C4' energy: -178.848 flat angles C4'-P-C4' energy: -213.777 flat angles P-C4'-P energy: -154.675 tors. eta vs tors. theta energy: -297.847 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: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3104.935225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.935225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.935225 (E_RNA) where: Base-Base interactions energy: -2144.485 where: short stacking energy: -935.233 Base-Backbone interact. energy: -0.607 local terms energy: -959.843713 where: bonds (distance) C4'-P energy: -169.436 bonds (distance) P-C4' energy: -166.163 flat angles C4'-P-C4' energy: -208.773 flat angles P-C4'-P energy: -146.349 tors. eta vs tors. theta energy: -269.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2972.234098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.234098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.234098 (E_RNA) where: Base-Base interactions energy: -2059.308 where: short stacking energy: -900.199 Base-Backbone interact. energy: -3.165 local terms energy: -909.761219 where: bonds (distance) C4'-P energy: -160.668 bonds (distance) P-C4' energy: -175.544 flat angles C4'-P-C4' energy: -193.452 flat angles P-C4'-P energy: -115.970 tors. eta vs tors. theta energy: -264.127 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: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2808.160065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.160065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.160065 (E_RNA) where: Base-Base interactions energy: -1883.435 where: short stacking energy: -862.993 Base-Backbone interact. energy: -0.977 local terms energy: -923.747977 where: bonds (distance) C4'-P energy: -160.737 bonds (distance) P-C4' energy: -192.966 flat angles C4'-P-C4' energy: -193.137 flat angles P-C4'-P energy: -138.357 tors. eta vs tors. theta energy: -238.550 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: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2572.980360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.980360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.980360 (E_RNA) where: Base-Base interactions energy: -1723.787 where: short stacking energy: -771.602 Base-Backbone interact. energy: -0.044 local terms energy: -849.149089 where: bonds (distance) C4'-P energy: -149.404 bonds (distance) P-C4' energy: -164.433 flat angles C4'-P-C4' energy: -195.893 flat angles P-C4'-P energy: -135.256 tors. eta vs tors. theta energy: -204.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2393.744598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.744598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.744598 (E_RNA) where: Base-Base interactions energy: -1618.770 where: short stacking energy: -697.765 Base-Backbone interact. energy: -0.466 local terms energy: -774.508400 where: bonds (distance) C4'-P energy: -142.575 bonds (distance) P-C4' energy: -152.121 flat angles C4'-P-C4' energy: -189.461 flat angles P-C4'-P energy: -112.285 tors. eta vs tors. theta energy: -178.066 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: 2 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2031.698890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.698890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.698890 (E_RNA) where: Base-Base interactions energy: -1312.417 where: short stacking energy: -602.860 Base-Backbone interact. energy: 2.191 local terms energy: -721.473543 where: bonds (distance) C4'-P energy: -163.821 bonds (distance) P-C4' energy: -155.705 flat angles C4'-P-C4' energy: -156.475 flat angles P-C4'-P energy: -106.879 tors. eta vs tors. theta energy: -138.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1625.239864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.239864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.239864 (E_RNA) where: Base-Base interactions energy: -991.261 where: short stacking energy: -489.895 Base-Backbone interact. energy: -3.947 local terms energy: -630.031870 where: bonds (distance) C4'-P energy: -142.608 bonds (distance) P-C4' energy: -146.201 flat angles C4'-P-C4' energy: -155.275 flat angles P-C4'-P energy: -88.949 tors. eta vs tors. theta energy: -96.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1184.095792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.095792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.095792 (E_RNA) where: Base-Base interactions energy: -630.416 where: short stacking energy: -352.857 Base-Backbone interact. energy: 4.402 local terms energy: -558.081242 where: bonds (distance) C4'-P energy: -145.871 bonds (distance) P-C4' energy: -147.052 flat angles C4'-P-C4' energy: -137.835 flat angles P-C4'-P energy: -79.558 tors. eta vs tors. theta energy: -47.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -758.437321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.437321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.437321 (E_RNA) where: Base-Base interactions energy: -322.691 where: short stacking energy: -250.126 Base-Backbone interact. energy: -0.467 local terms energy: -435.279037 where: bonds (distance) C4'-P energy: -142.762 bonds (distance) P-C4' energy: -127.893 flat angles C4'-P-C4' energy: -133.857 flat angles P-C4'-P energy: -64.105 tors. eta vs tors. theta energy: 33.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3166.501316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.501316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.501316 (E_RNA) where: Base-Base interactions energy: -2171.832 where: short stacking energy: -940.648 Base-Backbone interact. energy: -1.708 local terms energy: -992.961284 where: bonds (distance) C4'-P energy: -199.263 bonds (distance) P-C4' energy: -181.743 flat angles C4'-P-C4' energy: -193.924 flat angles P-C4'-P energy: -140.109 tors. eta vs tors. theta energy: -277.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3088.778199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.778199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.778199 (E_RNA) where: Base-Base interactions energy: -2081.392 where: short stacking energy: -962.784 Base-Backbone interact. energy: -3.855 local terms energy: -1003.531301 where: bonds (distance) C4'-P energy: -185.107 bonds (distance) P-C4' energy: -196.969 flat angles C4'-P-C4' energy: -203.233 flat angles P-C4'-P energy: -128.152 tors. eta vs tors. theta energy: -290.070 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: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2967.967403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.967403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.967403 (E_RNA) where: Base-Base interactions energy: -2033.639 where: short stacking energy: -888.210 Base-Backbone interact. energy: 0.122 local terms energy: -934.449922 where: bonds (distance) C4'-P energy: -171.638 bonds (distance) P-C4' energy: -180.594 flat angles C4'-P-C4' energy: -195.955 flat angles P-C4'-P energy: -127.181 tors. eta vs tors. theta energy: -259.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2830.104013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.104013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.104013 (E_RNA) where: Base-Base interactions energy: -1922.110 where: short stacking energy: -859.825 Base-Backbone interact. energy: -5.153 local terms energy: -902.840713 where: bonds (distance) C4'-P energy: -163.631 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -189.738 flat angles P-C4'-P energy: -130.161 tors. eta vs tors. theta energy: -259.216 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: 5, replica: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2541.257091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.257091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.257091 (E_RNA) where: Base-Base interactions energy: -1718.332 where: short stacking energy: -775.441 Base-Backbone interact. energy: -5.046 local terms energy: -817.879488 where: bonds (distance) C4'-P energy: -150.162 bonds (distance) P-C4' energy: -170.590 flat angles C4'-P-C4' energy: -178.590 flat angles P-C4'-P energy: -117.335 tors. eta vs tors. theta energy: -201.201 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: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2305.692516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.692516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.692516 (E_RNA) where: Base-Base interactions energy: -1494.904 where: short stacking energy: -651.440 Base-Backbone interact. energy: -2.760 local terms energy: -808.027886 where: bonds (distance) C4'-P energy: -169.086 bonds (distance) P-C4' energy: -153.229 flat angles C4'-P-C4' energy: -202.821 flat angles P-C4'-P energy: -115.206 tors. eta vs tors. theta energy: -167.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1989.364807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.364807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.364807 (E_RNA) where: Base-Base interactions energy: -1260.655 where: short stacking energy: -567.565 Base-Backbone interact. energy: 3.338 local terms energy: -732.048640 where: bonds (distance) C4'-P energy: -161.884 bonds (distance) P-C4' energy: -162.824 flat angles C4'-P-C4' energy: -157.727 flat angles P-C4'-P energy: -113.017 tors. eta vs tors. theta energy: -136.596 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: 482 Temperature: 1.250000 Total energy: -1641.116335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.116335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.116335 (E_RNA) where: Base-Base interactions energy: -1001.907 where: short stacking energy: -487.935 Base-Backbone interact. energy: 4.788 local terms energy: -643.996579 where: bonds (distance) C4'-P energy: -143.089 bonds (distance) P-C4' energy: -166.553 flat angles C4'-P-C4' energy: -147.647 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -103.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1178.668297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.668297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.668297 (E_RNA) where: Base-Base interactions energy: -648.713 where: short stacking energy: -315.829 Base-Backbone interact. energy: 1.413 local terms energy: -531.367862 where: bonds (distance) C4'-P energy: -129.647 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -144.840 flat angles P-C4'-P energy: -77.104 tors. eta vs tors. theta energy: -22.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -731.694725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.694725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.694725 (E_RNA) where: Base-Base interactions energy: -290.040 where: short stacking energy: -200.749 Base-Backbone interact. energy: -2.279 local terms energy: -439.375179 where: bonds (distance) C4'-P energy: -140.410 bonds (distance) P-C4' energy: -148.703 flat angles C4'-P-C4' energy: -110.792 flat angles P-C4'-P energy: -73.344 tors. eta vs tors. theta energy: 33.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3166.535492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.535492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.535492 (E_RNA) where: Base-Base interactions energy: -2165.872 where: short stacking energy: -956.729 Base-Backbone interact. energy: -9.787 local terms energy: -990.876206 where: bonds (distance) C4'-P energy: -187.760 bonds (distance) P-C4' energy: -185.263 flat angles C4'-P-C4' energy: -208.846 flat angles P-C4'-P energy: -129.469 tors. eta vs tors. theta energy: -279.539 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: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3080.169016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.169016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.169016 (E_RNA) where: Base-Base interactions energy: -2049.864 where: short stacking energy: -970.762 Base-Backbone interact. energy: -1.883 local terms energy: -1028.422240 where: bonds (distance) C4'-P energy: -173.685 bonds (distance) P-C4' energy: -174.833 flat angles C4'-P-C4' energy: -226.349 flat angles P-C4'-P energy: -152.091 tors. eta vs tors. theta energy: -301.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2974.843018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.843018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.843018 (E_RNA) where: Base-Base interactions energy: -2040.082 where: short stacking energy: -907.270 Base-Backbone interact. energy: 3.941 local terms energy: -938.702718 where: bonds (distance) C4'-P energy: -155.915 bonds (distance) P-C4' energy: -179.250 flat angles C4'-P-C4' energy: -211.060 flat angles P-C4'-P energy: -133.322 tors. eta vs tors. theta energy: -259.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2836.084798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.084798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.084798 (E_RNA) where: Base-Base interactions energy: -1932.218 where: short stacking energy: -863.822 Base-Backbone interact. energy: -2.826 local terms energy: -901.040735 where: bonds (distance) C4'-P energy: -152.512 bonds (distance) P-C4' energy: -163.357 flat angles C4'-P-C4' energy: -204.601 flat angles P-C4'-P energy: -131.932 tors. eta vs tors. theta energy: -248.640 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: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2550.544226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.544226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.544226 (E_RNA) where: Base-Base interactions energy: -1679.435 where: short stacking energy: -758.022 Base-Backbone interact. energy: -1.405 local terms energy: -869.704011 where: bonds (distance) C4'-P energy: -163.685 bonds (distance) P-C4' energy: -177.503 flat angles C4'-P-C4' energy: -187.776 flat angles P-C4'-P energy: -129.097 tors. eta vs tors. theta energy: -211.643 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: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2338.541089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.541089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.541089 (E_RNA) where: Base-Base interactions energy: -1541.703 where: short stacking energy: -688.610 Base-Backbone interact. energy: -1.569 local terms energy: -795.268457 where: bonds (distance) C4'-P energy: -157.235 bonds (distance) P-C4' energy: -164.550 flat angles C4'-P-C4' energy: -180.199 flat angles P-C4'-P energy: -104.964 tors. eta vs tors. theta energy: -188.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2001.626522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.626522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.626522 (E_RNA) where: Base-Base interactions energy: -1285.349 where: short stacking energy: -564.544 Base-Backbone interact. energy: 1.852 local terms energy: -718.129113 where: bonds (distance) C4'-P energy: -154.013 bonds (distance) P-C4' energy: -169.016 flat angles C4'-P-C4' energy: -162.774 flat angles P-C4'-P energy: -104.242 tors. eta vs tors. theta energy: -128.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1672.267822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.267822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.267822 (E_RNA) where: Base-Base interactions energy: -1063.463 where: short stacking energy: -524.711 Base-Backbone interact. energy: -3.871 local terms energy: -604.933648 where: bonds (distance) C4'-P energy: -107.148 bonds (distance) P-C4' energy: -131.766 flat angles C4'-P-C4' energy: -158.082 flat angles P-C4'-P energy: -87.337 tors. eta vs tors. theta energy: -120.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1215.508326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.508326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.508326 (E_RNA) where: Base-Base interactions energy: -696.764 where: short stacking energy: -356.625 Base-Backbone interact. energy: 4.128 local terms energy: -522.873071 where: bonds (distance) C4'-P energy: -136.506 bonds (distance) P-C4' energy: -149.145 flat angles C4'-P-C4' energy: -152.218 flat angles P-C4'-P energy: -63.321 tors. eta vs tors. theta energy: -21.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -724.696610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.696610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.696610 (E_RNA) where: Base-Base interactions energy: -284.051 where: short stacking energy: -187.240 Base-Backbone interact. energy: 2.390 local terms energy: -443.036524 where: bonds (distance) C4'-P energy: -140.399 bonds (distance) P-C4' energy: -139.839 flat angles C4'-P-C4' energy: -118.059 flat angles P-C4'-P energy: -81.958 tors. eta vs tors. theta energy: 37.219 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: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3180.205759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.205759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.205759 (E_RNA) where: Base-Base interactions energy: -2172.433 where: short stacking energy: -928.625 Base-Backbone interact. energy: -5.199 local terms energy: -1002.573622 where: bonds (distance) C4'-P energy: -195.913 bonds (distance) P-C4' energy: -184.773 flat angles C4'-P-C4' energy: -209.366 flat angles P-C4'-P energy: -142.387 tors. eta vs tors. theta energy: -270.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3075.658656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.658656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.658656 (E_RNA) where: Base-Base interactions energy: -2076.497 where: short stacking energy: -938.992 Base-Backbone interact. energy: -2.166 local terms energy: -996.995956 where: bonds (distance) C4'-P energy: -170.361 bonds (distance) P-C4' energy: -186.487 flat angles C4'-P-C4' energy: -208.392 flat angles P-C4'-P energy: -139.716 tors. eta vs tors. theta energy: -292.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2996.790749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.790749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.790749 (E_RNA) where: Base-Base interactions energy: -2078.136 where: short stacking energy: -912.424 Base-Backbone interact. energy: -1.999 local terms energy: -916.655173 where: bonds (distance) C4'-P energy: -161.484 bonds (distance) P-C4' energy: -165.687 flat angles C4'-P-C4' energy: -199.223 flat angles P-C4'-P energy: -133.047 tors. eta vs tors. theta energy: -257.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2811.647868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.647868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.647868 (E_RNA) where: Base-Base interactions energy: -1919.725 where: short stacking energy: -853.757 Base-Backbone interact. energy: -0.768 local terms energy: -891.155715 where: bonds (distance) C4'-P energy: -155.316 bonds (distance) P-C4' energy: -178.647 flat angles C4'-P-C4' energy: -200.999 flat angles P-C4'-P energy: -111.657 tors. eta vs tors. theta energy: -244.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2536.499400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.499400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.499400 (E_RNA) where: Base-Base interactions energy: -1715.391 where: short stacking energy: -804.520 Base-Backbone interact. energy: -1.449 local terms energy: -819.658914 where: bonds (distance) C4'-P energy: -146.429 bonds (distance) P-C4' energy: -154.591 flat angles C4'-P-C4' energy: -179.091 flat angles P-C4'-P energy: -118.448 tors. eta vs tors. theta energy: -221.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2291.419946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.419946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.419946 (E_RNA) where: Base-Base interactions energy: -1508.622 where: short stacking energy: -648.264 Base-Backbone interact. energy: 1.222 local terms energy: -784.019147 where: bonds (distance) C4'-P energy: -153.699 bonds (distance) P-C4' energy: -163.332 flat angles C4'-P-C4' energy: -164.956 flat angles P-C4'-P energy: -135.193 tors. eta vs tors. theta energy: -166.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2009.394721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.394721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.394721 (E_RNA) where: Base-Base interactions energy: -1324.274 where: short stacking energy: -619.737 Base-Backbone interact. energy: -1.742 local terms energy: -683.378531 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -163.784 flat angles C4'-P-C4' energy: -140.313 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -155.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1701.934995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.934995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.934995 (E_RNA) where: Base-Base interactions energy: -1068.091 where: short stacking energy: -477.581 Base-Backbone interact. energy: -2.271 local terms energy: -631.573733 where: bonds (distance) C4'-P energy: -146.576 bonds (distance) P-C4' energy: -148.758 flat angles C4'-P-C4' energy: -148.397 flat angles P-C4'-P energy: -86.731 tors. eta vs tors. theta energy: -101.111 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: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1140.970284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.970284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.970284 (E_RNA) where: Base-Base interactions energy: -622.675 where: short stacking energy: -302.881 Base-Backbone interact. energy: 2.948 local terms energy: -521.243269 where: bonds (distance) C4'-P energy: -119.931 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -143.162 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -813.911951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.911951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.911951 (E_RNA) where: Base-Base interactions energy: -364.622 where: short stacking energy: -226.417 Base-Backbone interact. energy: 8.063 local terms energy: -457.353325 where: bonds (distance) C4'-P energy: -135.880 bonds (distance) P-C4' energy: -143.605 flat angles C4'-P-C4' energy: -128.205 flat angles P-C4'-P energy: -78.093 tors. eta vs tors. theta energy: 28.430 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: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3179.269393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.269393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.269393 (E_RNA) where: Base-Base interactions energy: -2176.006 where: short stacking energy: -966.521 Base-Backbone interact. energy: -4.636 local terms energy: -998.627766 where: bonds (distance) C4'-P energy: -179.873 bonds (distance) P-C4' energy: -180.362 flat angles C4'-P-C4' energy: -211.111 flat angles P-C4'-P energy: -150.273 tors. eta vs tors. theta energy: -277.009 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: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -3097.840194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.840194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.840194 (E_RNA) where: Base-Base interactions energy: -2089.923 where: short stacking energy: -962.613 Base-Backbone interact. energy: -4.219 local terms energy: -1003.698257 where: bonds (distance) C4'-P energy: -173.645 bonds (distance) P-C4' energy: -190.739 flat angles C4'-P-C4' energy: -203.310 flat angles P-C4'-P energy: -138.915 tors. eta vs tors. theta energy: -297.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -3013.405213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.405213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.405213 (E_RNA) where: Base-Base interactions energy: -2055.595 where: short stacking energy: -889.380 Base-Backbone interact. energy: -1.168 local terms energy: -956.641467 where: bonds (distance) C4'-P energy: -158.612 bonds (distance) P-C4' energy: -190.225 flat angles C4'-P-C4' energy: -189.055 flat angles P-C4'-P energy: -154.822 tors. eta vs tors. theta energy: -263.928 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: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2816.746995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.746995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.746995 (E_RNA) where: Base-Base interactions energy: -1896.430 where: short stacking energy: -854.921 Base-Backbone interact. energy: -3.612 local terms energy: -916.705121 where: bonds (distance) C4'-P energy: -161.823 bonds (distance) P-C4' energy: -175.083 flat angles C4'-P-C4' energy: -195.632 flat angles P-C4'-P energy: -132.331 tors. eta vs tors. theta energy: -251.836 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: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2580.305191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.305191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.305191 (E_RNA) where: Base-Base interactions energy: -1725.578 where: short stacking energy: -764.016 Base-Backbone interact. energy: -1.806 local terms energy: -852.921554 where: bonds (distance) C4'-P energy: -157.355 bonds (distance) P-C4' energy: -174.052 flat angles C4'-P-C4' energy: -186.951 flat angles P-C4'-P energy: -120.615 tors. eta vs tors. theta energy: -213.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2342.302688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.302688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.302688 (E_RNA) where: Base-Base interactions energy: -1528.900 where: short stacking energy: -658.631 Base-Backbone interact. energy: -2.621 local terms energy: -810.781892 where: bonds (distance) C4'-P energy: -161.164 bonds (distance) P-C4' energy: -172.193 flat angles C4'-P-C4' energy: -189.956 flat angles P-C4'-P energy: -110.596 tors. eta vs tors. theta energy: -176.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2044.209714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.209714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.209714 (E_RNA) where: Base-Base interactions energy: -1303.834 where: short stacking energy: -595.017 Base-Backbone interact. energy: 0.207 local terms energy: -740.581844 where: bonds (distance) C4'-P energy: -176.300 bonds (distance) P-C4' energy: -161.396 flat angles C4'-P-C4' energy: -175.613 flat angles P-C4'-P energy: -87.106 tors. eta vs tors. theta energy: -140.166 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: 485 Temperature: 1.250000 Total energy: -1712.387306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.387306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.387306 (E_RNA) where: Base-Base interactions energy: -1062.578 where: short stacking energy: -488.643 Base-Backbone interact. energy: 0.629 local terms energy: -650.438838 where: bonds (distance) C4'-P energy: -134.946 bonds (distance) P-C4' energy: -165.308 flat angles C4'-P-C4' energy: -162.230 flat angles P-C4'-P energy: -103.506 tors. eta vs tors. theta energy: -84.449 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: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1132.173810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.173810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.173810 (E_RNA) where: Base-Base interactions energy: -603.160 where: short stacking energy: -349.885 Base-Backbone interact. energy: -0.297 local terms energy: -528.716611 where: bonds (distance) C4'-P energy: -146.990 bonds (distance) P-C4' energy: -147.004 flat angles C4'-P-C4' energy: -128.656 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -803.418527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.418527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.418527 (E_RNA) where: Base-Base interactions energy: -365.640 where: short stacking energy: -243.649 Base-Backbone interact. energy: -4.668 local terms energy: -433.110114 where: bonds (distance) C4'-P energy: -134.459 bonds (distance) P-C4' energy: -160.378 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: 17.681 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: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3206.174225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.174225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.174225 (E_RNA) where: Base-Base interactions energy: -2208.389 where: short stacking energy: -963.911 Base-Backbone interact. energy: -3.831 local terms energy: -993.953839 where: bonds (distance) C4'-P energy: -176.584 bonds (distance) P-C4' energy: -188.243 flat angles C4'-P-C4' energy: -212.525 flat angles P-C4'-P energy: -143.795 tors. eta vs tors. theta energy: -272.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3087.336463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.336463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.336463 (E_RNA) where: Base-Base interactions energy: -2116.222 where: short stacking energy: -967.434 Base-Backbone interact. energy: 0.198 local terms energy: -971.312279 where: bonds (distance) C4'-P energy: -178.661 bonds (distance) P-C4' energy: -171.819 flat angles C4'-P-C4' energy: -193.249 flat angles P-C4'-P energy: -132.344 tors. eta vs tors. theta energy: -295.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2991.430851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.430851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.430851 (E_RNA) where: Base-Base interactions energy: -2059.952 where: short stacking energy: -918.055 Base-Backbone interact. energy: -3.218 local terms energy: -928.261061 where: bonds (distance) C4'-P energy: -186.180 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -194.938 flat angles P-C4'-P energy: -113.607 tors. eta vs tors. theta energy: -258.706 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: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2804.928752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.928752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.928752 (E_RNA) where: Base-Base interactions energy: -1902.452 where: short stacking energy: -864.428 Base-Backbone interact. energy: -0.482 local terms energy: -901.994757 where: bonds (distance) C4'-P energy: -172.699 bonds (distance) P-C4' energy: -162.600 flat angles C4'-P-C4' energy: -201.046 flat angles P-C4'-P energy: -126.279 tors. eta vs tors. theta energy: -239.370 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: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2536.332384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.332384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.332384 (E_RNA) where: Base-Base interactions energy: -1690.155 where: short stacking energy: -774.876 Base-Backbone interact. energy: -1.194 local terms energy: -844.983675 where: bonds (distance) C4'-P energy: -154.897 bonds (distance) P-C4' energy: -158.813 flat angles C4'-P-C4' energy: -181.896 flat angles P-C4'-P energy: -135.522 tors. eta vs tors. theta energy: -213.854 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: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2334.662050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.662050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.662050 (E_RNA) where: Base-Base interactions energy: -1550.706 where: short stacking energy: -702.540 Base-Backbone interact. energy: 2.364 local terms energy: -786.320191 where: bonds (distance) C4'-P energy: -130.117 bonds (distance) P-C4' energy: -181.974 flat angles C4'-P-C4' energy: -170.778 flat angles P-C4'-P energy: -120.341 tors. eta vs tors. theta energy: -183.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2039.320803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.320803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.320803 (E_RNA) where: Base-Base interactions energy: -1294.914 where: short stacking energy: -601.078 Base-Backbone interact. energy: 3.617 local terms energy: -748.023950 where: bonds (distance) C4'-P energy: -161.502 bonds (distance) P-C4' energy: -178.494 flat angles C4'-P-C4' energy: -171.615 flat angles P-C4'-P energy: -96.309 tors. eta vs tors. theta energy: -140.103 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: 486 Temperature: 1.250000 Total energy: -1725.352910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.352910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.352910 (E_RNA) where: Base-Base interactions energy: -1088.258 where: short stacking energy: -518.057 Base-Backbone interact. energy: 5.039 local terms energy: -642.133485 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -132.786 flat angles C4'-P-C4' energy: -144.406 flat angles P-C4'-P energy: -108.463 tors. eta vs tors. theta energy: -114.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1038.786877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.786877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.786877 (E_RNA) where: Base-Base interactions energy: -549.536 where: short stacking energy: -283.752 Base-Backbone interact. energy: 4.709 local terms energy: -493.960203 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -147.829 flat angles C4'-P-C4' energy: -106.426 flat angles P-C4'-P energy: -82.448 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -758.796710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.796710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.796710 (E_RNA) where: Base-Base interactions energy: -284.320 where: short stacking energy: -217.516 Base-Backbone interact. energy: 0.335 local terms energy: -474.811834 where: bonds (distance) C4'-P energy: -136.421 bonds (distance) P-C4' energy: -158.441 flat angles C4'-P-C4' energy: -125.234 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: 29.272 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: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3182.006901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.006901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.006901 (E_RNA) where: Base-Base interactions energy: -2186.534 where: short stacking energy: -950.387 Base-Backbone interact. energy: -4.668 local terms energy: -990.804970 where: bonds (distance) C4'-P energy: -188.597 bonds (distance) P-C4' energy: -188.395 flat angles C4'-P-C4' energy: -201.796 flat angles P-C4'-P energy: -147.475 tors. eta vs tors. theta energy: -264.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -3081.509990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.509990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.509990 (E_RNA) where: Base-Base interactions energy: -2098.583 where: short stacking energy: -969.425 Base-Backbone interact. energy: -0.776 local terms energy: -982.150720 where: bonds (distance) C4'-P energy: -172.911 bonds (distance) P-C4' energy: -171.730 flat angles C4'-P-C4' energy: -202.804 flat angles P-C4'-P energy: -141.017 tors. eta vs tors. theta energy: -293.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2998.687905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.687905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.687905 (E_RNA) where: Base-Base interactions energy: -2069.607 where: short stacking energy: -894.930 Base-Backbone interact. energy: -1.424 local terms energy: -927.657837 where: bonds (distance) C4'-P energy: -172.230 bonds (distance) P-C4' energy: -181.532 flat angles C4'-P-C4' energy: -195.876 flat angles P-C4'-P energy: -124.876 tors. eta vs tors. theta energy: -253.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2834.184252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.184252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.184252 (E_RNA) where: Base-Base interactions energy: -1923.769 where: short stacking energy: -872.346 Base-Backbone interact. energy: 1.691 local terms energy: -912.105644 where: bonds (distance) C4'-P energy: -166.995 bonds (distance) P-C4' energy: -174.540 flat angles C4'-P-C4' energy: -179.074 flat angles P-C4'-P energy: -131.568 tors. eta vs tors. theta energy: -259.929 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: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2531.463883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.463883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.463883 (E_RNA) where: Base-Base interactions energy: -1704.966 where: short stacking energy: -798.345 Base-Backbone interact. energy: -2.456 local terms energy: -824.042210 where: bonds (distance) C4'-P energy: -153.645 bonds (distance) P-C4' energy: -160.308 flat angles C4'-P-C4' energy: -177.919 flat angles P-C4'-P energy: -119.526 tors. eta vs tors. theta energy: -212.643 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: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2365.569359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.569359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.569359 (E_RNA) where: Base-Base interactions energy: -1600.597 where: short stacking energy: -709.836 Base-Backbone interact. energy: -4.759 local terms energy: -760.212894 where: bonds (distance) C4'-P energy: -162.620 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -175.041 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -184.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2026.912452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.912452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.912452 (E_RNA) where: Base-Base interactions energy: -1339.361 where: short stacking energy: -596.837 Base-Backbone interact. energy: -1.235 local terms energy: -686.315789 where: bonds (distance) C4'-P energy: -158.671 bonds (distance) P-C4' energy: -165.320 flat angles C4'-P-C4' energy: -161.041 flat angles P-C4'-P energy: -67.813 tors. eta vs tors. theta energy: -133.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1680.579500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.579500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.579500 (E_RNA) where: Base-Base interactions energy: -1002.134 where: short stacking energy: -483.842 Base-Backbone interact. energy: -2.818 local terms energy: -675.627359 where: bonds (distance) C4'-P energy: -149.870 bonds (distance) P-C4' energy: -164.995 flat angles C4'-P-C4' energy: -155.364 flat angles P-C4'-P energy: -101.964 tors. eta vs tors. theta energy: -103.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1145.509308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.509308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.509308 (E_RNA) where: Base-Base interactions energy: -631.311 where: short stacking energy: -341.856 Base-Backbone interact. energy: -2.835 local terms energy: -511.363652 where: bonds (distance) C4'-P energy: -120.029 bonds (distance) P-C4' energy: -145.342 flat angles C4'-P-C4' energy: -129.223 flat angles P-C4'-P energy: -77.825 tors. eta vs tors. theta energy: -38.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -755.531359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.531359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.531359 (E_RNA) where: Base-Base interactions energy: -362.271 where: short stacking energy: -255.638 Base-Backbone interact. energy: 8.667 local terms energy: -401.926700 where: bonds (distance) C4'-P energy: -142.454 bonds (distance) P-C4' energy: -132.769 flat angles C4'-P-C4' energy: -101.934 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: 35.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3181.077942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.077942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.077942 (E_RNA) where: Base-Base interactions energy: -2156.034 where: short stacking energy: -1002.146 Base-Backbone interact. energy: -3.537 local terms energy: -1021.507204 where: bonds (distance) C4'-P energy: -177.627 bonds (distance) P-C4' energy: -186.080 flat angles C4'-P-C4' energy: -206.248 flat angles P-C4'-P energy: -146.376 tors. eta vs tors. theta energy: -305.176 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: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -3120.962974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.962974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.962974 (E_RNA) where: Base-Base interactions energy: -2144.622 where: short stacking energy: -924.855 Base-Backbone interact. energy: -3.482 local terms energy: -972.858394 where: bonds (distance) C4'-P energy: -169.795 bonds (distance) P-C4' energy: -171.880 flat angles C4'-P-C4' energy: -220.788 flat angles P-C4'-P energy: -140.304 tors. eta vs tors. theta energy: -270.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -3016.898526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.898526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.898526 (E_RNA) where: Base-Base interactions energy: -2075.756 where: short stacking energy: -934.363 Base-Backbone interact. energy: -2.458 local terms energy: -938.684598 where: bonds (distance) C4'-P energy: -167.816 bonds (distance) P-C4' energy: -179.996 flat angles C4'-P-C4' energy: -204.254 flat angles P-C4'-P energy: -120.262 tors. eta vs tors. theta energy: -266.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2827.514326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.514326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.514326 (E_RNA) where: Base-Base interactions energy: -1901.312 where: short stacking energy: -884.792 Base-Backbone interact. energy: -1.047 local terms energy: -925.154933 where: bonds (distance) C4'-P energy: -174.150 bonds (distance) P-C4' energy: -170.336 flat angles C4'-P-C4' energy: -200.986 flat angles P-C4'-P energy: -125.203 tors. eta vs tors. theta energy: -254.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2520.688097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.688097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.688097 (E_RNA) where: Base-Base interactions energy: -1711.287 where: short stacking energy: -766.013 Base-Backbone interact. energy: 0.575 local terms energy: -809.976222 where: bonds (distance) C4'-P energy: -152.545 bonds (distance) P-C4' energy: -173.418 flat angles C4'-P-C4' energy: -174.214 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -203.838 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: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2394.726751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.726751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.726751 (E_RNA) where: Base-Base interactions energy: -1590.793 where: short stacking energy: -714.133 Base-Backbone interact. energy: -0.333 local terms energy: -803.600361 where: bonds (distance) C4'-P energy: -150.537 bonds (distance) P-C4' energy: -177.086 flat angles C4'-P-C4' energy: -170.657 flat angles P-C4'-P energy: -107.583 tors. eta vs tors. theta energy: -197.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1990.371797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.371797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.371797 (E_RNA) where: Base-Base interactions energy: -1315.223 where: short stacking energy: -610.483 Base-Backbone interact. energy: -2.885 local terms energy: -672.263794 where: bonds (distance) C4'-P energy: -128.969 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -151.242 flat angles P-C4'-P energy: -103.219 tors. eta vs tors. theta energy: -133.040 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: 488 Temperature: 1.250000 Total energy: -1654.801927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.801927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.801927 (E_RNA) where: Base-Base interactions energy: -988.490 where: short stacking energy: -485.054 Base-Backbone interact. energy: -2.889 local terms energy: -663.422466 where: bonds (distance) C4'-P energy: -140.378 bonds (distance) P-C4' energy: -160.813 flat angles C4'-P-C4' energy: -159.506 flat angles P-C4'-P energy: -101.059 tors. eta vs tors. theta energy: -101.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1122.033136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.033136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.033136 (E_RNA) where: Base-Base interactions energy: -576.428 where: short stacking energy: -313.025 Base-Backbone interact. energy: -4.952 local terms energy: -540.653141 where: bonds (distance) C4'-P energy: -144.486 bonds (distance) P-C4' energy: -153.443 flat angles C4'-P-C4' energy: -142.118 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: -23.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -774.922475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.922475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.922475 (E_RNA) where: Base-Base interactions energy: -329.726 where: short stacking energy: -213.933 Base-Backbone interact. energy: 6.884 local terms energy: -452.080244 where: bonds (distance) C4'-P energy: -139.365 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -132.962 flat angles P-C4'-P energy: -60.468 tors. eta vs tors. theta energy: 32.772 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: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3158.406335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.406335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.406335 (E_RNA) where: Base-Base interactions energy: -2117.559 where: short stacking energy: -982.934 Base-Backbone interact. energy: -1.777 local terms energy: -1039.070206 where: bonds (distance) C4'-P energy: -192.368 bonds (distance) P-C4' energy: -189.633 flat angles C4'-P-C4' energy: -215.787 flat angles P-C4'-P energy: -143.882 tors. eta vs tors. theta energy: -297.401 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: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -3087.828400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.828400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.828400 (E_RNA) where: Base-Base interactions energy: -2120.123 where: short stacking energy: -919.892 Base-Backbone interact. energy: -2.436 local terms energy: -965.269476 where: bonds (distance) C4'-P energy: -170.606 bonds (distance) P-C4' energy: -181.385 flat angles C4'-P-C4' energy: -208.897 flat angles P-C4'-P energy: -138.871 tors. eta vs tors. theta energy: -265.510 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: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -3018.298960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.298960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.298960 (E_RNA) where: Base-Base interactions energy: -2066.044 where: short stacking energy: -925.370 Base-Backbone interact. energy: -1.391 local terms energy: -950.863858 where: bonds (distance) C4'-P energy: -159.968 bonds (distance) P-C4' energy: -174.921 flat angles C4'-P-C4' energy: -206.740 flat angles P-C4'-P energy: -137.009 tors. eta vs tors. theta energy: -272.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2841.834962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.834962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.834962 (E_RNA) where: Base-Base interactions energy: -1930.408 where: short stacking energy: -866.674 Base-Backbone interact. energy: -3.789 local terms energy: -907.638078 where: bonds (distance) C4'-P energy: -148.081 bonds (distance) P-C4' energy: -190.884 flat angles C4'-P-C4' energy: -202.324 flat angles P-C4'-P energy: -119.157 tors. eta vs tors. theta energy: -247.192 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: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2527.134224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.134224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.134224 (E_RNA) where: Base-Base interactions energy: -1689.442 where: short stacking energy: -792.584 Base-Backbone interact. energy: -0.711 local terms energy: -836.980536 where: bonds (distance) C4'-P energy: -157.142 bonds (distance) P-C4' energy: -158.947 flat angles C4'-P-C4' energy: -194.650 flat angles P-C4'-P energy: -111.426 tors. eta vs tors. theta energy: -214.815 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: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2380.527082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.527082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.527082 (E_RNA) where: Base-Base interactions energy: -1617.375 where: short stacking energy: -717.075 Base-Backbone interact. energy: 9.135 local terms energy: -772.287072 where: bonds (distance) C4'-P energy: -147.267 bonds (distance) P-C4' energy: -155.653 flat angles C4'-P-C4' energy: -183.612 flat angles P-C4'-P energy: -115.924 tors. eta vs tors. theta energy: -169.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1970.190952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.190952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.190952 (E_RNA) where: Base-Base interactions energy: -1252.477 where: short stacking energy: -574.480 Base-Backbone interact. energy: 1.422 local terms energy: -719.135364 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -173.724 flat angles C4'-P-C4' energy: -158.432 flat angles P-C4'-P energy: -99.177 tors. eta vs tors. theta energy: -127.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1601.888540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.888540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.888540 (E_RNA) where: Base-Base interactions energy: -983.342 where: short stacking energy: -486.905 Base-Backbone interact. energy: 2.816 local terms energy: -621.362917 where: bonds (distance) C4'-P energy: -140.010 bonds (distance) P-C4' energy: -146.745 flat angles C4'-P-C4' energy: -155.047 flat angles P-C4'-P energy: -87.835 tors. eta vs tors. theta energy: -91.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1255.070937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.070937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.070937 (E_RNA) where: Base-Base interactions energy: -743.675 where: short stacking energy: -382.743 Base-Backbone interact. energy: -0.191 local terms energy: -511.204558 where: bonds (distance) C4'-P energy: -138.403 bonds (distance) P-C4' energy: -129.914 flat angles C4'-P-C4' energy: -127.196 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: -34.639 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: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -747.557405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.557405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.557405 (E_RNA) where: Base-Base interactions energy: -312.207 where: short stacking energy: -210.047 Base-Backbone interact. energy: -0.162 local terms energy: -435.188026 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -157.265 flat angles C4'-P-C4' energy: -110.758 flat angles P-C4'-P energy: -85.703 tors. eta vs tors. theta energy: 48.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3190.710859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.710859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.710859 (E_RNA) where: Base-Base interactions energy: -2152.157 where: short stacking energy: -992.071 Base-Backbone interact. energy: -1.027 local terms energy: -1037.526929 where: bonds (distance) C4'-P energy: -177.750 bonds (distance) P-C4' energy: -187.937 flat angles C4'-P-C4' energy: -219.281 flat angles P-C4'-P energy: -144.930 tors. eta vs tors. theta energy: -307.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -3095.507412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.507412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.507412 (E_RNA) where: Base-Base interactions energy: -2135.548 where: short stacking energy: -959.940 Base-Backbone interact. energy: -6.155 local terms energy: -953.804707 where: bonds (distance) C4'-P energy: -164.070 bonds (distance) P-C4' energy: -184.627 flat angles C4'-P-C4' energy: -215.357 flat angles P-C4'-P energy: -115.556 tors. eta vs tors. theta energy: -274.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -3039.993368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.993368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.993368 (E_RNA) where: Base-Base interactions energy: -2103.109 where: short stacking energy: -908.684 Base-Backbone interact. energy: -3.596 local terms energy: -933.288205 where: bonds (distance) C4'-P energy: -162.472 bonds (distance) P-C4' energy: -168.807 flat angles C4'-P-C4' energy: -200.043 flat angles P-C4'-P energy: -137.097 tors. eta vs tors. theta energy: -264.870 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: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2821.305570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.305570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.305570 (E_RNA) where: Base-Base interactions energy: -1918.391 where: short stacking energy: -848.324 Base-Backbone interact. energy: -4.430 local terms energy: -898.483990 where: bonds (distance) C4'-P energy: -169.160 bonds (distance) P-C4' energy: -159.882 flat angles C4'-P-C4' energy: -198.021 flat angles P-C4'-P energy: -133.827 tors. eta vs tors. theta energy: -237.594 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: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2543.102131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.102131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.102131 (E_RNA) where: Base-Base interactions energy: -1727.482 where: short stacking energy: -766.100 Base-Backbone interact. energy: -1.730 local terms energy: -813.889904 where: bonds (distance) C4'-P energy: -153.874 bonds (distance) P-C4' energy: -145.737 flat angles C4'-P-C4' energy: -173.642 flat angles P-C4'-P energy: -137.268 tors. eta vs tors. theta energy: -203.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2376.763969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.763969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.763969 (E_RNA) where: Base-Base interactions energy: -1621.166 where: short stacking energy: -703.212 Base-Backbone interact. energy: -4.273 local terms energy: -751.324946 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -158.206 flat angles C4'-P-C4' energy: -182.995 flat angles P-C4'-P energy: -113.526 tors. eta vs tors. theta energy: -167.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1948.204219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.204219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.204219 (E_RNA) where: Base-Base interactions energy: -1228.065 where: short stacking energy: -582.210 Base-Backbone interact. energy: 3.729 local terms energy: -723.868141 where: bonds (distance) C4'-P energy: -141.580 bonds (distance) P-C4' energy: -164.244 flat angles C4'-P-C4' energy: -168.364 flat angles P-C4'-P energy: -103.626 tors. eta vs tors. theta energy: -146.055 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: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1617.150722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.150722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.150722 (E_RNA) where: Base-Base interactions energy: -978.278 where: short stacking energy: -494.376 Base-Backbone interact. energy: -2.135 local terms energy: -636.737791 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -146.623 flat angles C4'-P-C4' energy: -152.822 flat angles P-C4'-P energy: -92.650 tors. eta vs tors. theta energy: -101.116 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: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1217.254309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.254309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.254309 (E_RNA) where: Base-Base interactions energy: -666.922 where: short stacking energy: -309.518 Base-Backbone interact. energy: 0.590 local terms energy: -550.922614 where: bonds (distance) C4'-P energy: -147.186 bonds (distance) P-C4' energy: -137.958 flat angles C4'-P-C4' energy: -138.244 flat angles P-C4'-P energy: -99.582 tors. eta vs tors. theta energy: -27.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -792.889407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.889407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.889407 (E_RNA) where: Base-Base interactions energy: -344.670 where: short stacking energy: -258.534 Base-Backbone interact. energy: -0.153 local terms energy: -448.066220 where: bonds (distance) C4'-P energy: -124.220 bonds (distance) P-C4' energy: -135.217 flat angles C4'-P-C4' energy: -128.844 flat angles P-C4'-P energy: -70.737 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: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3199.785364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.785364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.785364 (E_RNA) where: Base-Base interactions energy: -2174.218 where: short stacking energy: -1011.992 Base-Backbone interact. energy: -7.128 local terms energy: -1018.438871 where: bonds (distance) C4'-P energy: -158.100 bonds (distance) P-C4' energy: -184.854 flat angles C4'-P-C4' energy: -212.867 flat angles P-C4'-P energy: -152.011 tors. eta vs tors. theta energy: -310.607 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: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -3099.498878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.498878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.498878 (E_RNA) where: Base-Base interactions energy: -2130.938 where: short stacking energy: -936.033 Base-Backbone interact. energy: -3.692 local terms energy: -964.868223 where: bonds (distance) C4'-P energy: -185.745 bonds (distance) P-C4' energy: -177.676 flat angles C4'-P-C4' energy: -205.166 flat angles P-C4'-P energy: -133.343 tors. eta vs tors. theta energy: -262.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -3068.045408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.045408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.045408 (E_RNA) where: Base-Base interactions energy: -2093.400 where: short stacking energy: -938.343 Base-Backbone interact. energy: -2.376 local terms energy: -972.269217 where: bonds (distance) C4'-P energy: -180.932 bonds (distance) P-C4' energy: -172.089 flat angles C4'-P-C4' energy: -202.684 flat angles P-C4'-P energy: -139.248 tors. eta vs tors. theta energy: -277.316 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: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2812.840286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.840286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.840286 (E_RNA) where: Base-Base interactions energy: -1890.221 where: short stacking energy: -847.783 Base-Backbone interact. energy: -4.161 local terms energy: -918.457997 where: bonds (distance) C4'-P energy: -159.442 bonds (distance) P-C4' energy: -177.399 flat angles C4'-P-C4' energy: -202.269 flat angles P-C4'-P energy: -132.419 tors. eta vs tors. theta energy: -246.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2560.383278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.383278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.383278 (E_RNA) where: Base-Base interactions energy: -1741.968 where: short stacking energy: -763.919 Base-Backbone interact. energy: 6.110 local terms energy: -824.524663 where: bonds (distance) C4'-P energy: -148.505 bonds (distance) P-C4' energy: -155.113 flat angles C4'-P-C4' energy: -181.752 flat angles P-C4'-P energy: -128.723 tors. eta vs tors. theta energy: -210.431 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: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2332.004549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.004549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.004549 (E_RNA) where: Base-Base interactions energy: -1552.267 where: short stacking energy: -704.230 Base-Backbone interact. energy: -0.030 local terms energy: -779.707482 where: bonds (distance) C4'-P energy: -162.366 bonds (distance) P-C4' energy: -166.825 flat angles C4'-P-C4' energy: -175.340 flat angles P-C4'-P energy: -95.603 tors. eta vs tors. theta energy: -179.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1943.245041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.245041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.245041 (E_RNA) where: Base-Base interactions energy: -1248.793 where: short stacking energy: -573.079 Base-Backbone interact. energy: 1.243 local terms energy: -695.695760 where: bonds (distance) C4'-P energy: -162.237 bonds (distance) P-C4' energy: -147.650 flat angles C4'-P-C4' energy: -154.866 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -136.848 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: 491 Temperature: 1.250000 Total energy: -1650.280380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.280380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.280380 (E_RNA) where: Base-Base interactions energy: -991.691 where: short stacking energy: -482.687 Base-Backbone interact. energy: -6.685 local terms energy: -651.904132 where: bonds (distance) C4'-P energy: -141.605 bonds (distance) P-C4' energy: -154.750 flat angles C4'-P-C4' energy: -160.228 flat angles P-C4'-P energy: -108.068 tors. eta vs tors. theta energy: -87.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1262.542792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.542792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.542792 (E_RNA) where: Base-Base interactions energy: -738.706 where: short stacking energy: -356.879 Base-Backbone interact. energy: 4.874 local terms energy: -528.710753 where: bonds (distance) C4'-P energy: -138.104 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -128.085 flat angles P-C4'-P energy: -81.953 tors. eta vs tors. theta energy: -27.481 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: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -792.203442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.203442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.203442 (E_RNA) where: Base-Base interactions energy: -357.626 where: short stacking energy: -264.880 Base-Backbone interact. energy: 3.631 local terms energy: -438.208436 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -145.910 flat angles C4'-P-C4' energy: -127.679 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: 5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3180.694870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.694870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.694870 (E_RNA) where: Base-Base interactions energy: -2161.121 where: short stacking energy: -993.895 Base-Backbone interact. energy: -0.734 local terms energy: -1018.839663 where: bonds (distance) C4'-P energy: -189.340 bonds (distance) P-C4' energy: -189.787 flat angles C4'-P-C4' energy: -204.077 flat angles P-C4'-P energy: -141.404 tors. eta vs tors. theta energy: -294.232 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: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -3081.859673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.859673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.859673 (E_RNA) where: Base-Base interactions energy: -2108.509 where: short stacking energy: -929.042 Base-Backbone interact. energy: -2.586 local terms energy: -970.764730 where: bonds (distance) C4'-P energy: -174.868 bonds (distance) P-C4' energy: -177.587 flat angles C4'-P-C4' energy: -210.907 flat angles P-C4'-P energy: -136.161 tors. eta vs tors. theta energy: -271.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -3041.999519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.999519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.999519 (E_RNA) where: Base-Base interactions energy: -2076.229 where: short stacking energy: -895.671 Base-Backbone interact. energy: -4.385 local terms energy: -961.385439 where: bonds (distance) C4'-P energy: -194.883 bonds (distance) P-C4' energy: -173.578 flat angles C4'-P-C4' energy: -193.460 flat angles P-C4'-P energy: -137.095 tors. eta vs tors. theta energy: -262.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2756.721113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.721113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.721113 (E_RNA) where: Base-Base interactions energy: -1856.358 where: short stacking energy: -838.038 Base-Backbone interact. energy: -2.243 local terms energy: -898.120022 where: bonds (distance) C4'-P energy: -163.471 bonds (distance) P-C4' energy: -173.378 flat angles C4'-P-C4' energy: -194.093 flat angles P-C4'-P energy: -125.910 tors. eta vs tors. theta energy: -241.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2587.979343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.979343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.979343 (E_RNA) where: Base-Base interactions energy: -1727.669 where: short stacking energy: -802.467 Base-Backbone interact. energy: 5.143 local terms energy: -865.453543 where: bonds (distance) C4'-P energy: -161.602 bonds (distance) P-C4' energy: -170.853 flat angles C4'-P-C4' energy: -196.947 flat angles P-C4'-P energy: -114.668 tors. eta vs tors. theta energy: -221.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2359.192592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.192592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.192592 (E_RNA) where: Base-Base interactions energy: -1563.170 where: short stacking energy: -680.247 Base-Backbone interact. energy: 1.274 local terms energy: -797.297215 where: bonds (distance) C4'-P energy: -145.744 bonds (distance) P-C4' energy: -179.872 flat angles C4'-P-C4' energy: -170.408 flat angles P-C4'-P energy: -111.683 tors. eta vs tors. theta energy: -189.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1938.507323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.507323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.507323 (E_RNA) where: Base-Base interactions energy: -1243.978 where: short stacking energy: -581.745 Base-Backbone interact. energy: 2.427 local terms energy: -696.955993 where: bonds (distance) C4'-P energy: -144.432 bonds (distance) P-C4' energy: -160.689 flat angles C4'-P-C4' energy: -164.214 flat angles P-C4'-P energy: -97.288 tors. eta vs tors. theta energy: -130.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1532.211775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.211775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.211775 (E_RNA) where: Base-Base interactions energy: -942.646 where: short stacking energy: -442.739 Base-Backbone interact. energy: -1.402 local terms energy: -588.163713 where: bonds (distance) C4'-P energy: -138.683 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -155.140 flat angles P-C4'-P energy: -63.240 tors. eta vs tors. theta energy: -82.480 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: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1215.650110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.650110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.650110 (E_RNA) where: Base-Base interactions energy: -692.925 where: short stacking energy: -337.489 Base-Backbone interact. energy: 0.802 local terms energy: -523.526518 where: bonds (distance) C4'-P energy: -145.780 bonds (distance) P-C4' energy: -136.460 flat angles C4'-P-C4' energy: -141.926 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -32.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -838.671327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.671327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.671327 (E_RNA) where: Base-Base interactions energy: -372.942 where: short stacking energy: -255.453 Base-Backbone interact. energy: 8.510 local terms energy: -474.239245 where: bonds (distance) C4'-P energy: -136.711 bonds (distance) P-C4' energy: -151.545 flat angles C4'-P-C4' energy: -129.600 flat angles P-C4'-P energy: -64.365 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: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3188.565108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.565108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.565108 (E_RNA) where: Base-Base interactions energy: -2148.461 where: short stacking energy: -1002.116 Base-Backbone interact. energy: -2.924 local terms energy: -1037.180072 where: bonds (distance) C4'-P energy: -178.061 bonds (distance) P-C4' energy: -185.713 flat angles C4'-P-C4' energy: -224.105 flat angles P-C4'-P energy: -143.026 tors. eta vs tors. theta energy: -306.276 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: 3 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -3093.645390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.645390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.645390 (E_RNA) where: Base-Base interactions energy: -2114.959 where: short stacking energy: -932.346 Base-Backbone interact. energy: -8.326 local terms energy: -970.360592 where: bonds (distance) C4'-P energy: -175.155 bonds (distance) P-C4' energy: -189.264 flat angles C4'-P-C4' energy: -195.253 flat angles P-C4'-P energy: -131.137 tors. eta vs tors. theta energy: -279.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -3048.445307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.445307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.445307 (E_RNA) where: Base-Base interactions energy: -2097.410 where: short stacking energy: -918.767 Base-Backbone interact. energy: -8.540 local terms energy: -942.494907 where: bonds (distance) C4'-P energy: -176.340 bonds (distance) P-C4' energy: -160.725 flat angles C4'-P-C4' energy: -203.052 flat angles P-C4'-P energy: -135.078 tors. eta vs tors. theta energy: -267.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2713.172899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.172899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.172899 (E_RNA) where: Base-Base interactions energy: -1815.855 where: short stacking energy: -793.481 Base-Backbone interact. energy: -0.467 local terms energy: -896.851424 where: bonds (distance) C4'-P energy: -164.186 bonds (distance) P-C4' energy: -174.291 flat angles C4'-P-C4' energy: -201.822 flat angles P-C4'-P energy: -120.486 tors. eta vs tors. theta energy: -236.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2519.020088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.020088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.020088 (E_RNA) where: Base-Base interactions energy: -1708.127 where: short stacking energy: -764.826 Base-Backbone interact. energy: 0.950 local terms energy: -811.842383 where: bonds (distance) C4'-P energy: -156.500 bonds (distance) P-C4' energy: -155.574 flat angles C4'-P-C4' energy: -186.139 flat angles P-C4'-P energy: -116.138 tors. eta vs tors. theta energy: -197.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2359.575138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.575138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.575138 (E_RNA) where: Base-Base interactions energy: -1608.123 where: short stacking energy: -699.654 Base-Backbone interact. energy: -2.947 local terms energy: -748.505606 where: bonds (distance) C4'-P energy: -153.686 bonds (distance) P-C4' energy: -173.067 flat angles C4'-P-C4' energy: -146.106 flat angles P-C4'-P energy: -98.628 tors. eta vs tors. theta energy: -177.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1949.449014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.449014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.449014 (E_RNA) where: Base-Base interactions energy: -1214.462 where: short stacking energy: -566.810 Base-Backbone interact. energy: -4.412 local terms energy: -730.575050 where: bonds (distance) C4'-P energy: -156.764 bonds (distance) P-C4' energy: -181.379 flat angles C4'-P-C4' energy: -171.387 flat angles P-C4'-P energy: -94.330 tors. eta vs tors. theta energy: -126.716 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: 493 Temperature: 1.250000 Total energy: -1532.714555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.714555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.714555 (E_RNA) where: Base-Base interactions energy: -897.574 where: short stacking energy: -448.102 Base-Backbone interact. energy: 0.025 local terms energy: -635.165247 where: bonds (distance) C4'-P energy: -148.190 bonds (distance) P-C4' energy: -156.307 flat angles C4'-P-C4' energy: -146.386 flat angles P-C4'-P energy: -95.554 tors. eta vs tors. theta energy: -88.729 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: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1285.899990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.899990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.899990 (E_RNA) where: Base-Base interactions energy: -714.482 where: short stacking energy: -400.756 Base-Backbone interact. energy: 3.428 local terms energy: -574.845436 where: bonds (distance) C4'-P energy: -138.745 bonds (distance) P-C4' energy: -156.003 flat angles C4'-P-C4' energy: -140.503 flat angles P-C4'-P energy: -83.274 tors. eta vs tors. theta energy: -56.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -834.631694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.631694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.631694 (E_RNA) where: Base-Base interactions energy: -377.768 where: short stacking energy: -246.574 Base-Backbone interact. energy: 6.298 local terms energy: -463.161795 where: bonds (distance) C4'-P energy: -118.558 bonds (distance) P-C4' energy: -142.106 flat angles C4'-P-C4' energy: -119.900 flat angles P-C4'-P energy: -74.541 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3221.361406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.361406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.361406 (E_RNA) where: Base-Base interactions energy: -2196.737 where: short stacking energy: -1011.158 Base-Backbone interact. energy: -2.117 local terms energy: -1022.506992 where: bonds (distance) C4'-P energy: -176.335 bonds (distance) P-C4' energy: -186.628 flat angles C4'-P-C4' energy: -213.602 flat angles P-C4'-P energy: -133.816 tors. eta vs tors. theta energy: -312.126 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: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3050.500569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.500569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.500569 (E_RNA) where: Base-Base interactions energy: -2076.010 where: short stacking energy: -907.389 Base-Backbone interact. energy: -0.476 local terms energy: -974.013819 where: bonds (distance) C4'-P energy: -185.373 bonds (distance) P-C4' energy: -171.611 flat angles C4'-P-C4' energy: -210.044 flat angles P-C4'-P energy: -131.225 tors. eta vs tors. theta energy: -275.760 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: 3, replica: 8 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2940.028809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.028809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.028809 (E_RNA) where: Base-Base interactions energy: -2032.848 where: short stacking energy: -894.591 Base-Backbone interact. energy: -3.367 local terms energy: -903.813413 where: bonds (distance) C4'-P energy: -158.637 bonds (distance) P-C4' energy: -185.065 flat angles C4'-P-C4' energy: -197.600 flat angles P-C4'-P energy: -120.986 tors. eta vs tors. theta energy: -241.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2751.031141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.031141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.031141 (E_RNA) where: Base-Base interactions energy: -1841.483 where: short stacking energy: -838.607 Base-Backbone interact. energy: 0.225 local terms energy: -909.773814 where: bonds (distance) C4'-P energy: -161.095 bonds (distance) P-C4' energy: -178.369 flat angles C4'-P-C4' energy: -186.089 flat angles P-C4'-P energy: -118.286 tors. eta vs tors. theta energy: -265.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2549.957296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.957296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.957296 (E_RNA) where: Base-Base interactions energy: -1727.631 where: short stacking energy: -789.292 Base-Backbone interact. energy: -0.011 local terms energy: -822.314960 where: bonds (distance) C4'-P energy: -151.957 bonds (distance) P-C4' energy: -163.627 flat angles C4'-P-C4' energy: -167.885 flat angles P-C4'-P energy: -125.447 tors. eta vs tors. theta energy: -213.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2337.329063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.329063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.329063 (E_RNA) where: Base-Base interactions energy: -1542.407 where: short stacking energy: -659.462 Base-Backbone interact. energy: 1.020 local terms energy: -795.942875 where: bonds (distance) C4'-P energy: -161.512 bonds (distance) P-C4' energy: -149.289 flat angles C4'-P-C4' energy: -171.570 flat angles P-C4'-P energy: -123.365 tors. eta vs tors. theta energy: -190.207 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: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1944.426726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.426726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.426726 (E_RNA) where: Base-Base interactions energy: -1284.815 where: short stacking energy: -592.792 Base-Backbone interact. energy: 1.516 local terms energy: -661.127302 where: bonds (distance) C4'-P energy: -132.021 bonds (distance) P-C4' energy: -145.343 flat angles C4'-P-C4' energy: -164.453 flat angles P-C4'-P energy: -75.780 tors. eta vs tors. theta energy: -143.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1577.810558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.810558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.810558 (E_RNA) where: Base-Base interactions energy: -975.573 where: short stacking energy: -457.927 Base-Backbone interact. energy: 0.894 local terms energy: -603.131134 where: bonds (distance) C4'-P energy: -151.014 bonds (distance) P-C4' energy: -150.405 flat angles C4'-P-C4' energy: -145.623 flat angles P-C4'-P energy: -70.161 tors. eta vs tors. theta energy: -85.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1283.209852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.209852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.209852 (E_RNA) where: Base-Base interactions energy: -774.856 where: short stacking energy: -368.857 Base-Backbone interact. energy: 7.067 local terms energy: -515.420813 where: bonds (distance) C4'-P energy: -146.220 bonds (distance) P-C4' energy: -154.157 flat angles C4'-P-C4' energy: -99.676 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -36.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -777.111907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.111907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.111907 (E_RNA) where: Base-Base interactions energy: -328.466 where: short stacking energy: -205.973 Base-Backbone interact. energy: 4.400 local terms energy: -453.045847 where: bonds (distance) C4'-P energy: -136.261 bonds (distance) P-C4' energy: -147.253 flat angles C4'-P-C4' energy: -126.501 flat angles P-C4'-P energy: -72.893 tors. eta vs tors. theta energy: 29.862 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: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3198.360039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.360039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.360039 (E_RNA) where: Base-Base interactions energy: -2170.182 where: short stacking energy: -1034.000 Base-Backbone interact. energy: -4.651 local terms energy: -1023.526944 where: bonds (distance) C4'-P energy: -188.348 bonds (distance) P-C4' energy: -186.041 flat angles C4'-P-C4' energy: -202.113 flat angles P-C4'-P energy: -140.283 tors. eta vs tors. theta energy: -306.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -3098.317610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.317610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.317610 (E_RNA) where: Base-Base interactions energy: -2092.098 where: short stacking energy: -932.183 Base-Backbone interact. energy: -3.042 local terms energy: -1003.177193 where: bonds (distance) C4'-P energy: -185.473 bonds (distance) P-C4' energy: -187.640 flat angles C4'-P-C4' energy: -212.745 flat angles P-C4'-P energy: -145.524 tors. eta vs tors. theta energy: -271.795 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: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2930.989677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.989677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.989677 (E_RNA) where: Base-Base interactions energy: -2001.322 where: short stacking energy: -854.650 Base-Backbone interact. energy: -3.600 local terms energy: -926.068044 where: bonds (distance) C4'-P energy: -163.814 bonds (distance) P-C4' energy: -171.007 flat angles C4'-P-C4' energy: -198.199 flat angles P-C4'-P energy: -139.059 tors. eta vs tors. theta energy: -253.988 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: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2771.585619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.585619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.585619 (E_RNA) where: Base-Base interactions energy: -1873.890 where: short stacking energy: -835.422 Base-Backbone interact. energy: -0.673 local terms energy: -897.022308 where: bonds (distance) C4'-P energy: -162.117 bonds (distance) P-C4' energy: -165.607 flat angles C4'-P-C4' energy: -201.216 flat angles P-C4'-P energy: -136.548 tors. eta vs tors. theta energy: -231.534 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: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2545.300481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.300481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.300481 (E_RNA) where: Base-Base interactions energy: -1728.203 where: short stacking energy: -776.675 Base-Backbone interact. energy: -0.877 local terms energy: -816.219916 where: bonds (distance) C4'-P energy: -154.891 bonds (distance) P-C4' energy: -149.808 flat angles C4'-P-C4' energy: -202.939 flat angles P-C4'-P energy: -94.225 tors. eta vs tors. theta energy: -214.358 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: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2402.087353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.087353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.087353 (E_RNA) where: Base-Base interactions energy: -1593.711 where: short stacking energy: -720.337 Base-Backbone interact. energy: 0.995 local terms energy: -809.371905 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -151.251 flat angles C4'-P-C4' energy: -188.918 flat angles P-C4'-P energy: -119.757 tors. eta vs tors. theta energy: -195.277 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: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1943.864029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.864029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.864029 (E_RNA) where: Base-Base interactions energy: -1221.473 where: short stacking energy: -547.920 Base-Backbone interact. energy: -1.299 local terms energy: -721.092076 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -161.341 flat angles C4'-P-C4' energy: -164.301 flat angles P-C4'-P energy: -108.427 tors. eta vs tors. theta energy: -132.600 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: 4 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1611.456114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.456114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.456114 (E_RNA) where: Base-Base interactions energy: -994.844 where: short stacking energy: -475.600 Base-Backbone interact. energy: -1.993 local terms energy: -614.619325 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -164.942 flat angles C4'-P-C4' energy: -147.500 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -89.385 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: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1319.994354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.994354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.994354 (E_RNA) where: Base-Base interactions energy: -756.150 where: short stacking energy: -375.883 Base-Backbone interact. energy: 0.381 local terms energy: -564.225606 where: bonds (distance) C4'-P energy: -121.349 bonds (distance) P-C4' energy: -170.052 flat angles C4'-P-C4' energy: -144.481 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -39.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -748.763871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.763871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.763871 (E_RNA) where: Base-Base interactions energy: -294.139 where: short stacking energy: -202.150 Base-Backbone interact. energy: 2.432 local terms energy: -457.057567 where: bonds (distance) C4'-P energy: -144.466 bonds (distance) P-C4' energy: -137.804 flat angles C4'-P-C4' energy: -143.057 flat angles P-C4'-P energy: -64.517 tors. eta vs tors. theta energy: 32.786 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: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3199.613153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.613153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.613153 (E_RNA) where: Base-Base interactions energy: -2161.689 where: short stacking energy: -1021.316 Base-Backbone interact. energy: -4.796 local terms energy: -1033.128770 where: bonds (distance) C4'-P energy: -185.404 bonds (distance) P-C4' energy: -182.878 flat angles C4'-P-C4' energy: -213.501 flat angles P-C4'-P energy: -143.786 tors. eta vs tors. theta energy: -307.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3111.964055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.964055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.964055 (E_RNA) where: Base-Base interactions energy: -2095.372 where: short stacking energy: -932.120 Base-Backbone interact. energy: -2.194 local terms energy: -1014.398544 where: bonds (distance) C4'-P energy: -184.200 bonds (distance) P-C4' energy: -185.270 flat angles C4'-P-C4' energy: -214.742 flat angles P-C4'-P energy: -142.607 tors. eta vs tors. theta energy: -287.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2989.651937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.651937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.651937 (E_RNA) where: Base-Base interactions energy: -2083.670 where: short stacking energy: -880.914 Base-Backbone interact. energy: -4.504 local terms energy: -901.478551 where: bonds (distance) C4'-P energy: -153.828 bonds (distance) P-C4' energy: -173.629 flat angles C4'-P-C4' energy: -197.765 flat angles P-C4'-P energy: -125.756 tors. eta vs tors. theta energy: -250.501 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: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2738.652444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.652444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.652444 (E_RNA) where: Base-Base interactions energy: -1867.934 where: short stacking energy: -811.162 Base-Backbone interact. energy: -3.078 local terms energy: -867.639858 where: bonds (distance) C4'-P energy: -162.630 bonds (distance) P-C4' energy: -160.300 flat angles C4'-P-C4' energy: -195.057 flat angles P-C4'-P energy: -120.069 tors. eta vs tors. theta energy: -229.584 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: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2551.744424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.744424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.744424 (E_RNA) where: Base-Base interactions energy: -1683.695 where: short stacking energy: -782.422 Base-Backbone interact. energy: -3.378 local terms energy: -864.671046 where: bonds (distance) C4'-P energy: -157.214 bonds (distance) P-C4' energy: -167.068 flat angles C4'-P-C4' energy: -202.324 flat angles P-C4'-P energy: -120.059 tors. eta vs tors. theta energy: -218.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2350.582556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.582556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.582556 (E_RNA) where: Base-Base interactions energy: -1622.819 where: short stacking energy: -710.616 Base-Backbone interact. energy: 0.944 local terms energy: -728.707920 where: bonds (distance) C4'-P energy: -160.654 bonds (distance) P-C4' energy: -134.801 flat angles C4'-P-C4' energy: -164.617 flat angles P-C4'-P energy: -97.766 tors. eta vs tors. theta energy: -170.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1935.944626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.944626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.944626 (E_RNA) where: Base-Base interactions energy: -1228.159 where: short stacking energy: -557.888 Base-Backbone interact. energy: -1.315 local terms energy: -706.470643 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -169.663 flat angles C4'-P-C4' energy: -170.493 flat angles P-C4'-P energy: -92.802 tors. eta vs tors. theta energy: -141.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1650.193523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.193523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.193523 (E_RNA) where: Base-Base interactions energy: -1029.170 where: short stacking energy: -476.872 Base-Backbone interact. energy: -2.873 local terms energy: -618.150370 where: bonds (distance) C4'-P energy: -139.127 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -146.856 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -100.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1216.477579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.477579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.477579 (E_RNA) where: Base-Base interactions energy: -636.975 where: short stacking energy: -341.761 Base-Backbone interact. energy: -1.876 local terms energy: -577.626273 where: bonds (distance) C4'-P energy: -145.802 bonds (distance) P-C4' energy: -165.415 flat angles C4'-P-C4' energy: -154.680 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -34.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -776.515580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.515580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.515580 (E_RNA) where: Base-Base interactions energy: -327.491 where: short stacking energy: -208.715 Base-Backbone interact. energy: 2.802 local terms energy: -451.826540 where: bonds (distance) C4'-P energy: -150.057 bonds (distance) P-C4' energy: -152.475 flat angles C4'-P-C4' energy: -118.575 flat angles P-C4'-P energy: -70.885 tors. eta vs tors. theta energy: 40.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3183.365189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.365189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.365189 (E_RNA) where: Base-Base interactions energy: -2193.005 where: short stacking energy: -1001.010 Base-Backbone interact. energy: 0.686 local terms energy: -991.045407 where: bonds (distance) C4'-P energy: -161.997 bonds (distance) P-C4' energy: -175.410 flat angles C4'-P-C4' energy: -207.353 flat angles P-C4'-P energy: -148.094 tors. eta vs tors. theta energy: -298.191 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: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -3117.573007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.573007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.573007 (E_RNA) where: Base-Base interactions energy: -2114.131 where: short stacking energy: -928.511 Base-Backbone interact. energy: -4.126 local terms energy: -999.315894 where: bonds (distance) C4'-P energy: -161.072 bonds (distance) P-C4' energy: -188.733 flat angles C4'-P-C4' energy: -214.252 flat angles P-C4'-P energy: -153.554 tors. eta vs tors. theta energy: -281.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2985.650105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.650105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.650105 (E_RNA) where: Base-Base interactions energy: -2039.829 where: short stacking energy: -880.237 Base-Backbone interact. energy: 0.474 local terms energy: -946.294953 where: bonds (distance) C4'-P energy: -172.205 bonds (distance) P-C4' energy: -184.568 flat angles C4'-P-C4' energy: -196.228 flat angles P-C4'-P energy: -138.511 tors. eta vs tors. theta energy: -254.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2764.458755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.458755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.458755 (E_RNA) where: Base-Base interactions energy: -1850.567 where: short stacking energy: -852.878 Base-Backbone interact. energy: -2.830 local terms energy: -911.061349 where: bonds (distance) C4'-P energy: -169.514 bonds (distance) P-C4' energy: -169.196 flat angles C4'-P-C4' energy: -184.758 flat angles P-C4'-P energy: -133.492 tors. eta vs tors. theta energy: -254.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2557.173299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.173299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.173299 (E_RNA) where: Base-Base interactions energy: -1726.872 where: short stacking energy: -779.233 Base-Backbone interact. energy: 2.741 local terms energy: -833.042903 where: bonds (distance) C4'-P energy: -166.479 bonds (distance) P-C4' energy: -165.845 flat angles C4'-P-C4' energy: -168.512 flat angles P-C4'-P energy: -110.965 tors. eta vs tors. theta energy: -221.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2384.916142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.916142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.916142 (E_RNA) where: Base-Base interactions energy: -1571.637 where: short stacking energy: -740.558 Base-Backbone interact. energy: -2.574 local terms energy: -810.704796 where: bonds (distance) C4'-P energy: -157.516 bonds (distance) P-C4' energy: -170.750 flat angles C4'-P-C4' energy: -179.516 flat angles P-C4'-P energy: -108.788 tors. eta vs tors. theta energy: -194.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1923.813320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.813320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.813320 (E_RNA) where: Base-Base interactions energy: -1228.769 where: short stacking energy: -552.693 Base-Backbone interact. energy: 1.001 local terms energy: -696.045452 where: bonds (distance) C4'-P energy: -148.335 bonds (distance) P-C4' energy: -168.443 flat angles C4'-P-C4' energy: -148.110 flat angles P-C4'-P energy: -102.346 tors. eta vs tors. theta energy: -128.811 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: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1620.945968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.945968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.945968 (E_RNA) where: Base-Base interactions energy: -993.141 where: short stacking energy: -485.657 Base-Backbone interact. energy: -1.886 local terms energy: -625.918573 where: bonds (distance) C4'-P energy: -112.267 bonds (distance) P-C4' energy: -155.723 flat angles C4'-P-C4' energy: -151.158 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -102.408 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: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1209.221441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.221441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.221441 (E_RNA) where: Base-Base interactions energy: -654.979 where: short stacking energy: -321.016 Base-Backbone interact. energy: -4.814 local terms energy: -549.428603 where: bonds (distance) C4'-P energy: -154.937 bonds (distance) P-C4' energy: -164.270 flat angles C4'-P-C4' energy: -136.518 flat angles P-C4'-P energy: -84.616 tors. eta vs tors. theta energy: -9.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -843.756876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.756876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.756876 (E_RNA) where: Base-Base interactions energy: -372.064 where: short stacking energy: -217.159 Base-Backbone interact. energy: 4.678 local terms energy: -476.370940 where: bonds (distance) C4'-P energy: -136.072 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -133.614 flat angles P-C4'-P energy: -89.325 tors. eta vs tors. theta energy: 21.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3174.874618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.874618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.874618 (E_RNA) where: Base-Base interactions energy: -2160.024 where: short stacking energy: -960.123 Base-Backbone interact. energy: -5.195 local terms energy: -1009.656376 where: bonds (distance) C4'-P energy: -172.853 bonds (distance) P-C4' energy: -185.045 flat angles C4'-P-C4' energy: -218.902 flat angles P-C4'-P energy: -147.632 tors. eta vs tors. theta energy: -285.224 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: 6 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -3136.284592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.284592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.284592 (E_RNA) where: Base-Base interactions energy: -2120.155 where: short stacking energy: -977.500 Base-Backbone interact. energy: -2.292 local terms energy: -1013.837597 where: bonds (distance) C4'-P energy: -196.697 bonds (distance) P-C4' energy: -176.007 flat angles C4'-P-C4' energy: -210.910 flat angles P-C4'-P energy: -140.695 tors. eta vs tors. theta energy: -289.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2956.893873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.893873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.893873 (E_RNA) where: Base-Base interactions energy: -2065.980 where: short stacking energy: -877.130 Base-Backbone interact. energy: -3.893 local terms energy: -887.020507 where: bonds (distance) C4'-P energy: -156.261 bonds (distance) P-C4' energy: -188.337 flat angles C4'-P-C4' energy: -176.275 flat angles P-C4'-P energy: -127.998 tors. eta vs tors. theta energy: -238.149 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: 498 Temperature: 1.050000 Total energy: -2778.912178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.912178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.912178 (E_RNA) where: Base-Base interactions energy: -1870.940 where: short stacking energy: -806.030 Base-Backbone interact. energy: -2.278 local terms energy: -905.694027 where: bonds (distance) C4'-P energy: -180.221 bonds (distance) P-C4' energy: -172.909 flat angles C4'-P-C4' energy: -200.324 flat angles P-C4'-P energy: -125.927 tors. eta vs tors. theta energy: -226.313 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: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2532.859723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.859723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.859723 (E_RNA) where: Base-Base interactions energy: -1668.590 where: short stacking energy: -767.626 Base-Backbone interact. energy: -4.081 local terms energy: -860.188569 where: bonds (distance) C4'-P energy: -161.057 bonds (distance) P-C4' energy: -155.155 flat angles C4'-P-C4' energy: -184.118 flat angles P-C4'-P energy: -134.555 tors. eta vs tors. theta energy: -225.304 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: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2345.973861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.973861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.973861 (E_RNA) where: Base-Base interactions energy: -1537.792 where: short stacking energy: -663.060 Base-Backbone interact. energy: -1.891 local terms energy: -806.291270 where: bonds (distance) C4'-P energy: -155.699 bonds (distance) P-C4' energy: -187.636 flat angles C4'-P-C4' energy: -174.166 flat angles P-C4'-P energy: -113.650 tors. eta vs tors. theta energy: -175.140 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: 498 Temperature: 1.200000 Total energy: -1952.564942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.564942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.564942 (E_RNA) where: Base-Base interactions energy: -1246.180 where: short stacking energy: -564.344 Base-Backbone interact. energy: -0.775 local terms energy: -705.610070 where: bonds (distance) C4'-P energy: -156.846 bonds (distance) P-C4' energy: -152.611 flat angles C4'-P-C4' energy: -162.035 flat angles P-C4'-P energy: -98.737 tors. eta vs tors. theta energy: -135.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1621.162591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.162591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.162591 (E_RNA) where: Base-Base interactions energy: -1013.698 where: short stacking energy: -494.361 Base-Backbone interact. energy: -3.972 local terms energy: -603.493084 where: bonds (distance) C4'-P energy: -144.923 bonds (distance) P-C4' energy: -139.198 flat angles C4'-P-C4' energy: -156.959 flat angles P-C4'-P energy: -80.032 tors. eta vs tors. theta energy: -82.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1207.572828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.572828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.572828 (E_RNA) where: Base-Base interactions energy: -650.833 where: short stacking energy: -341.642 Base-Backbone interact. energy: 8.142 local terms energy: -564.881520 where: bonds (distance) C4'-P energy: -163.702 bonds (distance) P-C4' energy: -145.942 flat angles C4'-P-C4' energy: -153.428 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -21.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -832.666392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.666392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.666392 (E_RNA) where: Base-Base interactions energy: -353.943 where: short stacking energy: -248.514 Base-Backbone interact. energy: -5.918 local terms energy: -472.805116 where: bonds (distance) C4'-P energy: -138.872 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -116.321 flat angles P-C4'-P energy: -60.636 tors. eta vs tors. theta energy: -13.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3191.411079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.411079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.411079 (E_RNA) where: Base-Base interactions energy: -2183.826 where: short stacking energy: -992.626 Base-Backbone interact. energy: -0.824 local terms energy: -1006.760409 where: bonds (distance) C4'-P energy: -184.139 bonds (distance) P-C4' energy: -188.564 flat angles C4'-P-C4' energy: -208.089 flat angles P-C4'-P energy: -131.797 tors. eta vs tors. theta energy: -294.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -3089.386981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.386981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.386981 (E_RNA) where: Base-Base interactions energy: -2109.857 where: short stacking energy: -961.482 Base-Backbone interact. energy: -1.087 local terms energy: -978.442986 where: bonds (distance) C4'-P energy: -180.456 bonds (distance) P-C4' energy: -162.247 flat angles C4'-P-C4' energy: -201.401 flat angles P-C4'-P energy: -142.910 tors. eta vs tors. theta energy: -291.429 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: 499 Temperature: 1.000000 Total energy: -2946.057286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.057286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.057286 (E_RNA) where: Base-Base interactions energy: -2015.344 where: short stacking energy: -845.086 Base-Backbone interact. energy: -3.704 local terms energy: -927.009931 where: bonds (distance) C4'-P energy: -176.080 bonds (distance) P-C4' energy: -180.965 flat angles C4'-P-C4' energy: -195.094 flat angles P-C4'-P energy: -129.955 tors. eta vs tors. theta energy: -244.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2837.507180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.507180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.507180 (E_RNA) where: Base-Base interactions energy: -1903.976 where: short stacking energy: -873.996 Base-Backbone interact. energy: -3.266 local terms energy: -930.264435 where: bonds (distance) C4'-P energy: -176.389 bonds (distance) P-C4' energy: -167.630 flat angles C4'-P-C4' energy: -201.451 flat angles P-C4'-P energy: -127.508 tors. eta vs tors. theta energy: -257.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2587.044335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.044335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.044335 (E_RNA) where: Base-Base interactions energy: -1735.213 where: short stacking energy: -805.258 Base-Backbone interact. energy: -0.287 local terms energy: -851.544397 where: bonds (distance) C4'-P energy: -154.286 bonds (distance) P-C4' energy: -169.989 flat angles C4'-P-C4' energy: -192.990 flat angles P-C4'-P energy: -105.030 tors. eta vs tors. theta energy: -229.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2373.219714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.219714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.219714 (E_RNA) where: Base-Base interactions energy: -1571.264 where: short stacking energy: -720.451 Base-Backbone interact. energy: 0.830 local terms energy: -802.786365 where: bonds (distance) C4'-P energy: -162.053 bonds (distance) P-C4' energy: -164.041 flat angles C4'-P-C4' energy: -177.208 flat angles P-C4'-P energy: -116.887 tors. eta vs tors. theta energy: -182.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1942.845205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.845205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.845205 (E_RNA) where: Base-Base interactions energy: -1254.823 where: short stacking energy: -581.789 Base-Backbone interact. energy: -1.737 local terms energy: -686.285523 where: bonds (distance) C4'-P energy: -132.325 bonds (distance) P-C4' energy: -146.807 flat angles C4'-P-C4' energy: -184.411 flat angles P-C4'-P energy: -82.941 tors. eta vs tors. theta energy: -139.801 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: 4 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1631.159544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.159544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.159544 (E_RNA) where: Base-Base interactions energy: -971.118 where: short stacking energy: -449.344 Base-Backbone interact. energy: -2.098 local terms energy: -657.943062 where: bonds (distance) C4'-P energy: -148.488 bonds (distance) P-C4' energy: -174.009 flat angles C4'-P-C4' energy: -140.863 flat angles P-C4'-P energy: -113.335 tors. eta vs tors. theta energy: -81.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1282.315063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.315063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.315063 (E_RNA) where: Base-Base interactions energy: -720.931 where: short stacking energy: -333.936 Base-Backbone interact. energy: 2.518 local terms energy: -563.902324 where: bonds (distance) C4'-P energy: -135.878 bonds (distance) P-C4' energy: -154.213 flat angles C4'-P-C4' energy: -141.684 flat angles P-C4'-P energy: -96.067 tors. eta vs tors. theta energy: -36.060 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: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -901.820873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.820873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.820873 (E_RNA) where: Base-Base interactions energy: -430.141 where: short stacking energy: -237.260 Base-Backbone interact. energy: 5.572 local terms energy: -477.252437 where: bonds (distance) C4'-P energy: -139.887 bonds (distance) P-C4' energy: -151.601 flat angles C4'-P-C4' energy: -128.547 flat angles P-C4'-P energy: -69.800 tors. eta vs tors. theta energy: 12.582 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: 3 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3240.814925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.814925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.814925 (E_RNA) where: Base-Base interactions energy: -2233.900 where: short stacking energy: -1015.441 Base-Backbone interact. energy: -1.560 local terms energy: -1005.354669 where: bonds (distance) C4'-P energy: -173.765 bonds (distance) P-C4' energy: -192.706 flat angles C4'-P-C4' energy: -224.349 flat angles P-C4'-P energy: -133.174 tors. eta vs tors. theta energy: -281.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -3132.370991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.370991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.370991 (E_RNA) where: Base-Base interactions energy: -2144.184 where: short stacking energy: -973.426 Base-Backbone interact. energy: -3.043 local terms energy: -985.143340 where: bonds (distance) C4'-P energy: -153.942 bonds (distance) P-C4' energy: -174.430 flat angles C4'-P-C4' energy: -206.845 flat angles P-C4'-P energy: -148.636 tors. eta vs tors. theta energy: -301.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2947.864283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.864283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.864283 (E_RNA) where: Base-Base interactions energy: -1999.933 where: short stacking energy: -858.606 Base-Backbone interact. energy: -3.955 local terms energy: -943.976154 where: bonds (distance) C4'-P energy: -181.102 bonds (distance) P-C4' energy: -176.514 flat angles C4'-P-C4' energy: -202.069 flat angles P-C4'-P energy: -133.513 tors. eta vs tors. theta energy: -250.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2793.437807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.437807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.437807 (E_RNA) where: Base-Base interactions energy: -1904.568 where: short stacking energy: -840.383 Base-Backbone interact. energy: -4.151 local terms energy: -884.719389 where: bonds (distance) C4'-P energy: -148.176 bonds (distance) P-C4' energy: -184.172 flat angles C4'-P-C4' energy: -187.460 flat angles P-C4'-P energy: -124.198 tors. eta vs tors. theta energy: -240.714 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: 5, replica: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2571.612210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.612210 (E_RNA) where: Base-Base interactions energy: -1727.113 where: short stacking energy: -798.512 Base-Backbone interact. energy: -3.262 local terms energy: -841.237053 where: bonds (distance) C4'-P energy: -158.138 bonds (distance) P-C4' energy: -171.977 flat angles C4'-P-C4' energy: -173.797 flat angles P-C4'-P energy: -117.548 tors. eta vs tors. theta energy: -219.778 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: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2439.717182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.717182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.717182 (E_RNA) where: Base-Base interactions energy: -1672.315 where: short stacking energy: -724.521 Base-Backbone interact. energy: -1.195 local terms energy: -766.207898 where: bonds (distance) C4'-P energy: -169.704 bonds (distance) P-C4' energy: -153.850 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -86.663 tors. eta vs tors. theta energy: -183.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1984.137831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.137831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.137831 (E_RNA) where: Base-Base interactions energy: -1292.040 where: short stacking energy: -601.675 Base-Backbone interact. energy: -0.516 local terms energy: -691.582162 where: bonds (distance) C4'-P energy: -122.528 bonds (distance) P-C4' energy: -165.937 flat angles C4'-P-C4' energy: -161.775 flat angles P-C4'-P energy: -103.947 tors. eta vs tors. theta energy: -137.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1678.223037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.223037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.223037 (E_RNA) where: Base-Base interactions energy: -1034.156 where: short stacking energy: -490.913 Base-Backbone interact. energy: -2.981 local terms energy: -641.085692 where: bonds (distance) C4'-P energy: -141.277 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -164.897 flat angles P-C4'-P energy: -101.041 tors. eta vs tors. theta energy: -93.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1256.005010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.005010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.005010 (E_RNA) where: Base-Base interactions energy: -727.022 where: short stacking energy: -353.988 Base-Backbone interact. energy: -0.227 local terms energy: -528.755384 where: bonds (distance) C4'-P energy: -141.222 bonds (distance) P-C4' energy: -148.746 flat angles C4'-P-C4' energy: -121.764 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -42.221 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: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -904.230294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.230294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.230294 (E_RNA) where: Base-Base interactions energy: -422.675 where: short stacking energy: -237.876 Base-Backbone interact. energy: 3.502 local terms energy: -485.057570 where: bonds (distance) C4'-P energy: -135.094 bonds (distance) P-C4' energy: -164.592 flat angles C4'-P-C4' energy: -125.502 flat angles P-C4'-P energy: -72.519 tors. eta vs tors. theta energy: 12.648 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: 3 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3198.240394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.240394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.240394 (E_RNA) where: Base-Base interactions energy: -2174.003 where: short stacking energy: -957.403 Base-Backbone interact. energy: -6.575 local terms energy: -1017.662389 where: bonds (distance) C4'-P energy: -177.053 bonds (distance) P-C4' energy: -204.187 flat angles C4'-P-C4' energy: -209.891 flat angles P-C4'-P energy: -140.180 tors. eta vs tors. theta energy: -286.351 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: 2, replica: 6 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -3082.755521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.755521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.755521 (E_RNA) where: Base-Base interactions energy: -2105.174 where: short stacking energy: -963.129 Base-Backbone interact. energy: -1.864 local terms energy: -975.718098 where: bonds (distance) C4'-P energy: -176.220 bonds (distance) P-C4' energy: -161.856 flat angles C4'-P-C4' energy: -213.778 flat angles P-C4'-P energy: -133.167 tors. eta vs tors. theta energy: -290.697 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: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2973.040220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.040220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.040220 (E_RNA) where: Base-Base interactions energy: -2032.889 where: short stacking energy: -889.505 Base-Backbone interact. energy: -3.096 local terms energy: -937.056104 where: bonds (distance) C4'-P energy: -178.479 bonds (distance) P-C4' energy: -195.965 flat angles C4'-P-C4' energy: -193.355 flat angles P-C4'-P energy: -123.065 tors. eta vs tors. theta energy: -246.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2787.426531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.426531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.426531 (E_RNA) where: Base-Base interactions energy: -1907.746 where: short stacking energy: -851.383 Base-Backbone interact. energy: 0.652 local terms energy: -880.332984 where: bonds (distance) C4'-P energy: -166.744 bonds (distance) P-C4' energy: -171.577 flat angles C4'-P-C4' energy: -190.071 flat angles P-C4'-P energy: -116.934 tors. eta vs tors. theta energy: -235.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2552.034482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.034482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.034482 (E_RNA) where: Base-Base interactions energy: -1717.889 where: short stacking energy: -764.834 Base-Backbone interact. energy: -0.599 local terms energy: -833.546442 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -175.563 flat angles C4'-P-C4' energy: -181.237 flat angles P-C4'-P energy: -112.304 tors. eta vs tors. theta energy: -210.221 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: 501 Temperature: 1.150000 Total energy: -2442.873057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.873057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.873057 (E_RNA) where: Base-Base interactions energy: -1679.268 where: short stacking energy: -732.653 Base-Backbone interact. energy: -1.299 local terms energy: -762.306099 where: bonds (distance) C4'-P energy: -142.094 bonds (distance) P-C4' energy: -151.320 flat angles C4'-P-C4' energy: -163.787 flat angles P-C4'-P energy: -121.943 tors. eta vs tors. theta energy: -183.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2048.617755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.617755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.617755 (E_RNA) where: Base-Base interactions energy: -1344.634 where: short stacking energy: -573.238 Base-Backbone interact. energy: -3.963 local terms energy: -700.020757 where: bonds (distance) C4'-P energy: -162.301 bonds (distance) P-C4' energy: -154.382 flat angles C4'-P-C4' energy: -154.508 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -135.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1626.268855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.268855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.268855 (E_RNA) where: Base-Base interactions energy: -969.998 where: short stacking energy: -478.892 Base-Backbone interact. energy: -4.972 local terms energy: -651.298390 where: bonds (distance) C4'-P energy: -154.736 bonds (distance) P-C4' energy: -167.192 flat angles C4'-P-C4' energy: -169.934 flat angles P-C4'-P energy: -73.249 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: 9, replica: 7 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1189.754643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.754643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.754643 (E_RNA) where: Base-Base interactions energy: -657.257 where: short stacking energy: -333.049 Base-Backbone interact. energy: -2.404 local terms energy: -530.094248 where: bonds (distance) C4'-P energy: -131.582 bonds (distance) P-C4' energy: -159.298 flat angles C4'-P-C4' energy: -130.584 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -874.689173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.689173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.689173 (E_RNA) where: Base-Base interactions energy: -390.882 where: short stacking energy: -229.260 Base-Backbone interact. energy: -0.215 local terms energy: -483.592785 where: bonds (distance) C4'-P energy: -129.481 bonds (distance) P-C4' energy: -145.036 flat angles C4'-P-C4' energy: -143.394 flat angles P-C4'-P energy: -78.183 tors. eta vs tors. theta energy: 12.500 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 189048042 moves confirmed later: 213557875 all moves confirmed: 402605917 percent of confirmed moves: 50.325740 current total energy: -3053.682160 recalc. total energy: -3053.682160 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 185124409 moves confirmed later: 209235161 all moves confirmed: 394359570 percent of confirmed moves: 49.294946 current total energy: -3027.964320 recalc. total energy: -3027.964320 replica 8 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 158663633 moves confirmed later: 173365127 all moves confirmed: 332028760 percent of confirmed moves: 41.503595 current total energy: -2850.500486 recalc. total energy: -2850.500486 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 161581899 moves confirmed later: 177356487 all moves confirmed: 338938386 percent of confirmed moves: 42.367298 current total energy: -2613.255243 recalc. total energy: -2613.255243 replica 9 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 183274355 moves confirmed later: 206963828 all moves confirmed: 390238183 percent of confirmed moves: 48.779773 current total energy: -2359.788393 recalc. total energy: -2359.788393 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 202180774 moves confirmed later: 231006684 all moves confirmed: 433187458 percent of confirmed moves: 54.148432 current total energy: -2284.888210 recalc. total energy: -2284.888210 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 272246617 moves confirmed later: 324249634 all moves confirmed: 596496251 percent of confirmed moves: 74.562031 current total energy: -1869.159967 recalc. total energy: -1869.159967 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 271976779 moves confirmed later: 324564139 all moves confirmed: 596540918 percent of confirmed moves: 74.567615 current total energy: -1409.328821 recalc. total energy: -1409.328821 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 286004689 moves confirmed later: 340925752 all moves confirmed: 626930441 percent of confirmed moves: 78.366305 current total energy: -990.260641 recalc. total energy: -990.260641 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 357511007 moves confirmed later: 436051713 all moves confirmed: 793562720 percent of confirmed moves: 99.195340 current total energy: -681.940640 recalc. total energy: -681.940640 out arg RESULTS//1/TINCR-1-500-257d6493_01 Time of doing 8000000 iterations: 61417.421 seconds