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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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/MIFmRNA5UTR-3870025b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MIFmRNA5UTR-3870025b/inputs/seq.fa: 1 curr_seq: _UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCACCACAGGCUCUUCAGUCCGUGCAUCGAGUCGCCGCCGGCGCCGCGCACGCAGACACGGAGACGCGCCCAGAGGACCAGGAAGACGGUAG 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 92 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: 465 n_atoms_counter: 465 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 92.000000 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: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 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: 1 Temperature: 1.000000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -366.347975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.347975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.347975 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -358.326288 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -40.921 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -540.499990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.499990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.499990 (E_RNA) where: Base-Base interactions energy: -253.748 where: short stacking energy: -235.318 Base-Backbone interact. energy: 0.652 local terms energy: -287.403922 where: bonds (distance) C4'-P energy: -56.953 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -57.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -502.296387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.296387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.296387 (E_RNA) where: Base-Base interactions energy: -229.636 where: short stacking energy: -210.978 Base-Backbone interact. energy: -0.255 local terms energy: -272.405600 where: bonds (distance) C4'-P energy: -61.893 bonds (distance) P-C4' energy: -56.977 flat angles C4'-P-C4' energy: -59.472 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -51.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -513.357658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.357658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.357658 (E_RNA) where: Base-Base interactions energy: -244.991 where: short stacking energy: -204.233 Base-Backbone interact. energy: -0.343 local terms energy: -268.023184 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -61.865 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -49.835 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -415.391730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.391730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.391730 (E_RNA) where: Base-Base interactions energy: -190.903 where: short stacking energy: -151.314 Base-Backbone interact. energy: -1.147 local terms energy: -223.342086 where: bonds (distance) C4'-P energy: -53.080 bonds (distance) P-C4' energy: -53.246 flat angles C4'-P-C4' energy: -57.375 flat angles P-C4'-P energy: -37.361 tors. eta vs tors. theta energy: -22.279 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -463.992565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.992565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.992565 (E_RNA) where: Base-Base interactions energy: -244.971 where: short stacking energy: -153.242 Base-Backbone interact. energy: 2.697 local terms energy: -221.718879 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -47.778 flat angles P-C4'-P energy: -27.593 tors. eta vs tors. theta energy: -29.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -451.230442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.230442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.230442 (E_RNA) where: Base-Base interactions energy: -254.588 where: short stacking energy: -153.319 Base-Backbone interact. energy: -1.297 local terms energy: -195.345275 where: bonds (distance) C4'-P energy: -48.352 bonds (distance) P-C4' energy: -48.624 flat angles C4'-P-C4' energy: -50.894 flat angles P-C4'-P energy: -24.409 tors. eta vs tors. theta energy: -23.067 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -368.895741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.895741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.895741 (E_RNA) where: Base-Base interactions energy: -15.175 where: short stacking energy: -15.175 Base-Backbone interact. energy: -0.000 local terms energy: -353.720473 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -82.407 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -41.276 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -369.804366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.804366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.804366 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.000 local terms energy: -353.737132 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -82.407 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -41.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -369.556957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.556957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.556957 (E_RNA) where: Base-Base interactions energy: -16.080 where: short stacking energy: -16.080 Base-Backbone interact. energy: -0.000 local terms energy: -353.477068 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -82.407 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -76.854 tors. eta vs tors. theta energy: -41.080 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: 2 Temperature: 1.350000 Total energy: -369.166480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.166480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.166480 (E_RNA) where: Base-Base interactions energy: -16.664 where: short stacking energy: -16.664 Base-Backbone interact. energy: -0.000 local terms energy: -352.501908 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -81.615 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -41.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -568.401992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.401992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.401992 (E_RNA) where: Base-Base interactions energy: -293.982 where: short stacking energy: -235.077 Base-Backbone interact. energy: -0.707 local terms energy: -273.713723 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -60.824 flat angles C4'-P-C4' energy: -63.670 flat angles P-C4'-P energy: -36.990 tors. eta vs tors. theta energy: -59.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -621.353182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.353182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.353182 (E_RNA) where: Base-Base interactions energy: -350.318 where: short stacking energy: -211.545 Base-Backbone interact. energy: -0.437 local terms energy: -270.598558 where: bonds (distance) C4'-P energy: -59.344 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -65.906 flat angles P-C4'-P energy: -39.142 tors. eta vs tors. theta energy: -44.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -546.984361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.984361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.984361 (E_RNA) where: Base-Base interactions energy: -272.926 where: short stacking energy: -212.624 Base-Backbone interact. energy: -1.218 local terms energy: -272.840382 where: bonds (distance) C4'-P energy: -63.394 bonds (distance) P-C4' energy: -54.934 flat angles C4'-P-C4' energy: -63.098 flat angles P-C4'-P energy: -41.682 tors. eta vs tors. theta energy: -49.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -490.776927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.776927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.776927 (E_RNA) where: Base-Base interactions energy: -272.476 where: short stacking energy: -178.522 Base-Backbone interact. energy: 1.148 local terms energy: -219.448335 where: bonds (distance) C4'-P energy: -56.492 bonds (distance) P-C4' energy: -46.991 flat angles C4'-P-C4' energy: -54.790 flat angles P-C4'-P energy: -28.673 tors. eta vs tors. theta energy: -32.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -462.885848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.885848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.885848 (E_RNA) where: Base-Base interactions energy: -239.640 where: short stacking energy: -136.258 Base-Backbone interact. energy: -0.672 local terms energy: -222.573629 where: bonds (distance) C4'-P energy: -55.723 bonds (distance) P-C4' energy: -55.220 flat angles C4'-P-C4' energy: -55.026 flat angles P-C4'-P energy: -32.701 tors. eta vs tors. theta energy: -23.904 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -528.221756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.221756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.221756 (E_RNA) where: Base-Base interactions energy: -315.107 where: short stacking energy: -156.329 Base-Backbone interact. energy: -0.913 local terms energy: -212.201552 where: bonds (distance) C4'-P energy: -37.466 bonds (distance) P-C4' energy: -53.553 flat angles C4'-P-C4' energy: -62.036 flat angles P-C4'-P energy: -34.316 tors. eta vs tors. theta energy: -24.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -340.670588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.670588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.670588 (E_RNA) where: Base-Base interactions energy: -145.089 where: short stacking energy: -128.040 Base-Backbone interact. energy: -1.378 local terms energy: -194.202829 where: bonds (distance) C4'-P energy: -49.093 bonds (distance) P-C4' energy: -54.752 flat angles C4'-P-C4' energy: -49.160 flat angles P-C4'-P energy: -25.071 tors. eta vs tors. theta energy: -16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -310.876481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.876481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.876481 (E_RNA) where: Base-Base interactions energy: -118.795 where: short stacking energy: -101.125 Base-Backbone interact. energy: -0.732 local terms energy: -191.348960 where: bonds (distance) C4'-P energy: -44.851 bonds (distance) P-C4' energy: -60.074 flat angles C4'-P-C4' energy: -44.451 flat angles P-C4'-P energy: -32.326 tors. eta vs tors. theta energy: -9.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -290.012261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.012261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.012261 (E_RNA) where: Base-Base interactions energy: -116.526 where: short stacking energy: -89.827 Base-Backbone interact. energy: -1.190 local terms energy: -172.296221 where: bonds (distance) C4'-P energy: -56.789 bonds (distance) P-C4' energy: -54.361 flat angles C4'-P-C4' energy: -30.966 flat angles P-C4'-P energy: -18.724 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -260.718298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.718298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.718298 (E_RNA) where: Base-Base interactions energy: -117.197 where: short stacking energy: -111.341 Base-Backbone interact. energy: -1.334 local terms energy: -142.187863 where: bonds (distance) C4'-P energy: -40.704 bonds (distance) P-C4' energy: -41.042 flat angles C4'-P-C4' energy: -37.769 flat angles P-C4'-P energy: -27.703 tors. eta vs tors. theta energy: 5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -662.744528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.744528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.744528 (E_RNA) where: Base-Base interactions energy: -390.923 where: short stacking energy: -244.144 Base-Backbone interact. energy: -1.303 local terms energy: -270.517735 where: bonds (distance) C4'-P energy: -53.224 bonds (distance) P-C4' energy: -51.807 flat angles C4'-P-C4' energy: -60.555 flat angles P-C4'-P energy: -40.728 tors. eta vs tors. theta energy: -64.204 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: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -555.174715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.174715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.174715 (E_RNA) where: Base-Base interactions energy: -305.210 where: short stacking energy: -193.493 Base-Backbone interact. energy: 0.769 local terms energy: -250.733144 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -58.768 flat angles C4'-P-C4' energy: -55.420 flat angles P-C4'-P energy: -38.432 tors. eta vs tors. theta energy: -32.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -567.687472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.687472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.687472 (E_RNA) where: Base-Base interactions energy: -310.758 where: short stacking energy: -203.361 Base-Backbone interact. energy: -0.206 local terms energy: -256.723200 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -60.589 flat angles P-C4'-P energy: -37.890 tors. eta vs tors. theta energy: -41.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -508.404581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.404581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.404581 (E_RNA) where: Base-Base interactions energy: -265.928 where: short stacking energy: -147.180 Base-Backbone interact. energy: -1.129 local terms energy: -241.347262 where: bonds (distance) C4'-P energy: -55.373 bonds (distance) P-C4' energy: -58.372 flat angles C4'-P-C4' energy: -64.244 flat angles P-C4'-P energy: -31.187 tors. eta vs tors. theta energy: -32.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -568.483554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.483554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.483554 (E_RNA) where: Base-Base interactions energy: -345.724 where: short stacking energy: -164.914 Base-Backbone interact. energy: 0.478 local terms energy: -223.237698 where: bonds (distance) C4'-P energy: -56.690 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -49.246 flat angles P-C4'-P energy: -32.916 tors. eta vs tors. theta energy: -26.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -484.399851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.399851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.399851 (E_RNA) where: Base-Base interactions energy: -259.696 where: short stacking energy: -156.812 Base-Backbone interact. energy: -0.426 local terms energy: -224.278042 where: bonds (distance) C4'-P energy: -46.557 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -54.806 flat angles P-C4'-P energy: -23.290 tors. eta vs tors. theta energy: -31.189 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -373.785078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.785078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.785078 (E_RNA) where: Base-Base interactions energy: -191.086 where: short stacking energy: -112.743 Base-Backbone interact. energy: -0.690 local terms energy: -182.009642 where: bonds (distance) C4'-P energy: -45.967 bonds (distance) P-C4' energy: -44.662 flat angles C4'-P-C4' energy: -53.541 flat angles P-C4'-P energy: -31.582 tors. eta vs tors. theta energy: -6.258 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -352.577382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.577382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.577382 (E_RNA) where: Base-Base interactions energy: -172.073 where: short stacking energy: -107.219 Base-Backbone interact. energy: -1.272 local terms energy: -179.232547 where: bonds (distance) C4'-P energy: -54.339 bonds (distance) P-C4' energy: -50.613 flat angles C4'-P-C4' energy: -41.951 flat angles P-C4'-P energy: -32.351 tors. eta vs tors. theta energy: 0.021 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -290.761965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.761965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.761965 (E_RNA) where: Base-Base interactions energy: -105.820 where: short stacking energy: -81.601 Base-Backbone interact. energy: -0.945 local terms energy: -183.997131 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -53.388 flat angles C4'-P-C4' energy: -41.145 flat angles P-C4'-P energy: -30.946 tors. eta vs tors. theta energy: -7.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -276.871886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.871886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.871886 (E_RNA) where: Base-Base interactions energy: -119.383 where: short stacking energy: -100.405 Base-Backbone interact. energy: -1.185 local terms energy: -156.303392 where: bonds (distance) C4'-P energy: -46.112 bonds (distance) P-C4' energy: -51.943 flat angles C4'-P-C4' energy: -32.092 flat angles P-C4'-P energy: -21.595 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -698.906216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.906216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.906216 (E_RNA) where: Base-Base interactions energy: -416.477 where: short stacking energy: -231.090 Base-Backbone interact. energy: -1.595 local terms energy: -280.834558 where: bonds (distance) C4'-P energy: -55.761 bonds (distance) P-C4' energy: -66.040 flat angles C4'-P-C4' energy: -62.290 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -53.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -636.366998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.366998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.366998 (E_RNA) where: Base-Base interactions energy: -386.039 where: short stacking energy: -191.467 Base-Backbone interact. energy: 0.476 local terms energy: -250.804804 where: bonds (distance) C4'-P energy: -53.108 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -56.450 flat angles P-C4'-P energy: -34.733 tors. eta vs tors. theta energy: -40.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -573.644289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.644289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.644289 (E_RNA) where: Base-Base interactions energy: -321.658 where: short stacking energy: -191.963 Base-Backbone interact. energy: -0.493 local terms energy: -251.493532 where: bonds (distance) C4'-P energy: -52.901 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -55.817 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -40.149 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: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -635.492333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.492333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.492333 (E_RNA) where: Base-Base interactions energy: -383.823 where: short stacking energy: -188.172 Base-Backbone interact. energy: 0.238 local terms energy: -251.907220 where: bonds (distance) C4'-P energy: -50.624 bonds (distance) P-C4' energy: -57.174 flat angles C4'-P-C4' energy: -52.041 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -51.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -521.457899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.457899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.457899 (E_RNA) where: Base-Base interactions energy: -312.327 where: short stacking energy: -168.509 Base-Backbone interact. energy: -0.001 local terms energy: -209.129875 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -65.324 flat angles C4'-P-C4' energy: -33.098 flat angles P-C4'-P energy: -27.121 tors. eta vs tors. theta energy: -27.611 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: 6, replica: 4 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -481.971117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.971117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.971117 (E_RNA) where: Base-Base interactions energy: -262.258 where: short stacking energy: -162.489 Base-Backbone interact. energy: 2.365 local terms energy: -222.078091 where: bonds (distance) C4'-P energy: -53.841 bonds (distance) P-C4' energy: -46.285 flat angles C4'-P-C4' energy: -46.821 flat angles P-C4'-P energy: -40.183 tors. eta vs tors. theta energy: -34.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -382.714216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.714216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.714216 (E_RNA) where: Base-Base interactions energy: -199.636 where: short stacking energy: -118.517 Base-Backbone interact. energy: 2.395 local terms energy: -185.473470 where: bonds (distance) C4'-P energy: -53.662 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -47.329 flat angles P-C4'-P energy: -18.268 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -386.028999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.028999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.028999 (E_RNA) where: Base-Base interactions energy: -189.953 where: short stacking energy: -102.654 Base-Backbone interact. energy: -1.306 local terms energy: -194.770068 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -49.394 flat angles C4'-P-C4' energy: -39.367 flat angles P-C4'-P energy: -35.753 tors. eta vs tors. theta energy: -9.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -308.361093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.361093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.361093 (E_RNA) where: Base-Base interactions energy: -129.409 where: short stacking energy: -79.631 Base-Backbone interact. energy: -1.578 local terms energy: -177.374346 where: bonds (distance) C4'-P energy: -49.772 bonds (distance) P-C4' energy: -52.652 flat angles C4'-P-C4' energy: -43.244 flat angles P-C4'-P energy: -30.333 tors. eta vs tors. theta energy: -1.374 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: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -260.640861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.640861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.640861 (E_RNA) where: Base-Base interactions energy: -98.388 where: short stacking energy: -93.227 Base-Backbone interact. energy: 1.419 local terms energy: -163.671806 where: bonds (distance) C4'-P energy: -49.361 bonds (distance) P-C4' energy: -45.217 flat angles C4'-P-C4' energy: -51.231 flat angles P-C4'-P energy: -24.717 tors. eta vs tors. theta energy: 6.854 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: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -710.920711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.920711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.920711 (E_RNA) where: Base-Base interactions energy: -438.051 where: short stacking energy: -230.814 Base-Backbone interact. energy: -0.537 local terms energy: -272.332526 where: bonds (distance) C4'-P energy: -64.860 bonds (distance) P-C4' energy: -55.880 flat angles C4'-P-C4' energy: -58.148 flat angles P-C4'-P energy: -35.494 tors. eta vs tors. theta energy: -57.950 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: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -703.233572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.233572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.233572 (E_RNA) where: Base-Base interactions energy: -436.937 where: short stacking energy: -203.068 Base-Backbone interact. energy: -0.686 local terms energy: -265.610103 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -61.354 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -39.653 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: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -667.846741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.846741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.846741 (E_RNA) where: Base-Base interactions energy: -402.884 where: short stacking energy: -231.951 Base-Backbone interact. energy: 3.170 local terms energy: -268.132530 where: bonds (distance) C4'-P energy: -49.617 bonds (distance) P-C4' energy: -49.180 flat angles C4'-P-C4' energy: -63.751 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -61.478 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: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -582.930036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.930036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.930036 (E_RNA) where: Base-Base interactions energy: -344.534 where: short stacking energy: -169.848 Base-Backbone interact. energy: -0.208 local terms energy: -238.187739 where: bonds (distance) C4'-P energy: -48.620 bonds (distance) P-C4' energy: -70.608 flat angles C4'-P-C4' energy: -58.048 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -20.925 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: 5, replica: 2 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -573.081809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.081809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.081809 (E_RNA) where: Base-Base interactions energy: -346.526 where: short stacking energy: -185.840 Base-Backbone interact. energy: -1.803 local terms energy: -224.753587 where: bonds (distance) C4'-P energy: -44.391 bonds (distance) P-C4' energy: -61.165 flat angles C4'-P-C4' energy: -53.350 flat angles P-C4'-P energy: -30.944 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: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -520.048692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.048692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.048692 (E_RNA) where: Base-Base interactions energy: -297.732 where: short stacking energy: -151.890 Base-Backbone interact. energy: 0.318 local terms energy: -222.634395 where: bonds (distance) C4'-P energy: -46.652 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -45.544 flat angles P-C4'-P energy: -40.138 tors. eta vs tors. theta energy: -28.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -443.234561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.234561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.234561 (E_RNA) where: Base-Base interactions energy: -261.664 where: short stacking energy: -112.061 Base-Backbone interact. energy: 3.586 local terms energy: -185.156657 where: bonds (distance) C4'-P energy: -43.097 bonds (distance) P-C4' energy: -54.661 flat angles C4'-P-C4' energy: -53.212 flat angles P-C4'-P energy: -22.314 tors. eta vs tors. theta energy: -11.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -364.714491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.714491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.714491 (E_RNA) where: Base-Base interactions energy: -172.934 where: short stacking energy: -112.168 Base-Backbone interact. energy: 0.258 local terms energy: -192.038415 where: bonds (distance) C4'-P energy: -47.412 bonds (distance) P-C4' energy: -49.884 flat angles C4'-P-C4' energy: -54.363 flat angles P-C4'-P energy: -26.454 tors. eta vs tors. theta energy: -13.925 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: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -314.447542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.447542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.447542 (E_RNA) where: Base-Base interactions energy: -146.008 where: short stacking energy: -101.343 Base-Backbone interact. energy: -1.538 local terms energy: -166.901851 where: bonds (distance) C4'-P energy: -45.144 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -44.089 flat angles P-C4'-P energy: -18.593 tors. eta vs tors. theta energy: 1.973 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: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -251.708485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.708485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.708485 (E_RNA) where: Base-Base interactions energy: -84.914 where: short stacking energy: -73.039 Base-Backbone interact. energy: -1.045 local terms energy: -165.749091 where: bonds (distance) C4'-P energy: -49.610 bonds (distance) P-C4' energy: -50.054 flat angles C4'-P-C4' energy: -35.752 flat angles P-C4'-P energy: -27.259 tors. eta vs tors. theta energy: -3.074 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: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -723.271754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.271754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.271754 (E_RNA) where: Base-Base interactions energy: -453.497 where: short stacking energy: -234.642 Base-Backbone interact. energy: -1.676 local terms energy: -268.098322 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -53.366 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -42.866 tors. eta vs tors. theta energy: -49.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -729.239908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.239908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.239908 (E_RNA) where: Base-Base interactions energy: -447.958 where: short stacking energy: -237.589 Base-Backbone interact. energy: 0.235 local terms energy: -281.517763 where: bonds (distance) C4'-P energy: -59.239 bonds (distance) P-C4' energy: -59.408 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -62.609 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: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -685.573150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.573150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.573150 (E_RNA) where: Base-Base interactions energy: -444.254 where: short stacking energy: -209.039 Base-Backbone interact. energy: 1.404 local terms energy: -242.723116 where: bonds (distance) C4'-P energy: -43.562 bonds (distance) P-C4' energy: -66.293 flat angles C4'-P-C4' energy: -52.843 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -46.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -626.809810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.809810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.809810 (E_RNA) where: Base-Base interactions energy: -396.056 where: short stacking energy: -206.650 Base-Backbone interact. energy: -0.613 local terms energy: -230.140888 where: bonds (distance) C4'-P energy: -52.294 bonds (distance) P-C4' energy: -49.763 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -29.862 tors. eta vs tors. theta energy: -41.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -591.648902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.648902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.648902 (E_RNA) where: Base-Base interactions energy: -379.906 where: short stacking energy: -166.647 Base-Backbone interact. energy: -2.446 local terms energy: -209.296621 where: bonds (distance) C4'-P energy: -49.660 bonds (distance) P-C4' energy: -57.520 flat angles C4'-P-C4' energy: -44.868 flat angles P-C4'-P energy: -36.774 tors. eta vs tors. theta energy: -20.475 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: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -548.553058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.553058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.553058 (E_RNA) where: Base-Base interactions energy: -333.477 where: short stacking energy: -183.294 Base-Backbone interact. energy: -2.097 local terms energy: -212.978822 where: bonds (distance) C4'-P energy: -50.223 bonds (distance) P-C4' energy: -60.896 flat angles C4'-P-C4' energy: -39.795 flat angles P-C4'-P energy: -22.487 tors. eta vs tors. theta energy: -39.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -470.575733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.575733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.575733 (E_RNA) where: Base-Base interactions energy: -285.664 where: short stacking energy: -138.566 Base-Backbone interact. energy: 1.943 local terms energy: -186.854529 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -50.182 flat angles C4'-P-C4' energy: -50.683 flat angles P-C4'-P energy: -28.688 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -363.377651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.377651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.377651 (E_RNA) where: Base-Base interactions energy: -195.371 where: short stacking energy: -121.207 Base-Backbone interact. energy: -1.530 local terms energy: -166.476657 where: bonds (distance) C4'-P energy: -44.070 bonds (distance) P-C4' energy: -51.507 flat angles C4'-P-C4' energy: -36.216 flat angles P-C4'-P energy: -29.801 tors. eta vs tors. theta energy: -4.883 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -282.072280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.072280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.072280 (E_RNA) where: Base-Base interactions energy: -119.318 where: short stacking energy: -98.533 Base-Backbone interact. energy: -0.560 local terms energy: -162.194142 where: bonds (distance) C4'-P energy: -26.789 bonds (distance) P-C4' energy: -49.954 flat angles C4'-P-C4' energy: -56.222 flat angles P-C4'-P energy: -27.192 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -260.627943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.627943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.627943 (E_RNA) where: Base-Base interactions energy: -82.891 where: short stacking energy: -73.791 Base-Backbone interact. energy: -1.147 local terms energy: -176.589711 where: bonds (distance) C4'-P energy: -48.494 bonds (distance) P-C4' energy: -46.149 flat angles C4'-P-C4' energy: -57.028 flat angles P-C4'-P energy: -25.968 tors. eta vs tors. theta energy: 1.050 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: 6 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -765.887400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.887400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.887400 (E_RNA) where: Base-Base interactions energy: -481.271 where: short stacking energy: -263.019 Base-Backbone interact. energy: -0.226 local terms energy: -284.390156 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -50.021 flat angles C4'-P-C4' energy: -68.152 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -67.448 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: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -749.120694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.120694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.120694 (E_RNA) where: Base-Base interactions energy: -467.989 where: short stacking energy: -226.845 Base-Backbone interact. energy: 0.343 local terms energy: -281.474752 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -60.582 flat angles C4'-P-C4' energy: -59.820 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -55.992 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: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -669.679636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.679636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.679636 (E_RNA) where: Base-Base interactions energy: -420.394 where: short stacking energy: -229.772 Base-Backbone interact. energy: -1.022 local terms energy: -248.263169 where: bonds (distance) C4'-P energy: -49.785 bonds (distance) P-C4' energy: -59.247 flat angles C4'-P-C4' energy: -55.357 flat angles P-C4'-P energy: -27.627 tors. eta vs tors. theta energy: -56.247 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: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -643.681906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.681906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.681906 (E_RNA) where: Base-Base interactions energy: -398.327 where: short stacking energy: -192.674 Base-Backbone interact. energy: -1.669 local terms energy: -243.686317 where: bonds (distance) C4'-P energy: -49.799 bonds (distance) P-C4' energy: -58.489 flat angles C4'-P-C4' energy: -49.604 flat angles P-C4'-P energy: -45.618 tors. eta vs tors. theta energy: -40.177 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -568.125138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.125138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.125138 (E_RNA) where: Base-Base interactions energy: -364.323 where: short stacking energy: -151.349 Base-Backbone interact. energy: 0.063 local terms energy: -203.864627 where: bonds (distance) C4'-P energy: -47.351 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -44.544 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -555.048014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.048014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.048014 (E_RNA) where: Base-Base interactions energy: -314.704 where: short stacking energy: -169.974 Base-Backbone interact. energy: -1.297 local terms energy: -239.047121 where: bonds (distance) C4'-P energy: -51.337 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -58.835 flat angles P-C4'-P energy: -29.406 tors. eta vs tors. theta energy: -38.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -408.236949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.236949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.236949 (E_RNA) where: Base-Base interactions energy: -236.394 where: short stacking energy: -113.016 Base-Backbone interact. energy: 2.956 local terms energy: -174.798731 where: bonds (distance) C4'-P energy: -49.958 bonds (distance) P-C4' energy: -41.845 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -26.433 tors. eta vs tors. theta energy: 0.611 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -413.720694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.720694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.720694 (E_RNA) where: Base-Base interactions energy: -260.371 where: short stacking energy: -122.556 Base-Backbone interact. energy: 0.991 local terms energy: -154.340345 where: bonds (distance) C4'-P energy: -48.581 bonds (distance) P-C4' energy: -48.089 flat angles C4'-P-C4' energy: -37.033 flat angles P-C4'-P energy: -20.619 tors. eta vs tors. theta energy: -0.019 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -297.640751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.640751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.640751 (E_RNA) where: Base-Base interactions energy: -141.708 where: short stacking energy: -105.594 Base-Backbone interact. energy: 4.437 local terms energy: -160.369772 where: bonds (distance) C4'-P energy: -56.937 bonds (distance) P-C4' energy: -44.690 flat angles C4'-P-C4' energy: -32.983 flat angles P-C4'-P energy: -20.504 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -267.022533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.022533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.022533 (E_RNA) where: Base-Base interactions energy: -120.323 where: short stacking energy: -94.577 Base-Backbone interact. energy: -0.384 local terms energy: -146.314828 where: bonds (distance) C4'-P energy: -30.009 bonds (distance) P-C4' energy: -51.222 flat angles C4'-P-C4' energy: -47.382 flat angles P-C4'-P energy: -22.352 tors. eta vs tors. theta energy: 4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -756.249465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.249465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.249465 (E_RNA) where: Base-Base interactions energy: -465.554 where: short stacking energy: -250.838 Base-Backbone interact. energy: -2.467 local terms energy: -288.228623 where: bonds (distance) C4'-P energy: -46.903 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -66.755 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -64.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -867.333018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.333018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.333018 (E_RNA) where: Base-Base interactions energy: -597.007 where: short stacking energy: -257.209 Base-Backbone interact. energy: 2.784 local terms energy: -273.109824 where: bonds (distance) C4'-P energy: -55.417 bonds (distance) P-C4' energy: -47.916 flat angles C4'-P-C4' energy: -60.571 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -69.999 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -732.731746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.731746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.731746 (E_RNA) where: Base-Base interactions energy: -453.679 where: short stacking energy: -252.068 Base-Backbone interact. energy: -1.768 local terms energy: -277.284572 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -53.388 flat angles C4'-P-C4' energy: -59.642 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -65.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -611.176957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.176957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.176957 (E_RNA) where: Base-Base interactions energy: -375.170 where: short stacking energy: -164.070 Base-Backbone interact. energy: -2.170 local terms energy: -233.837276 where: bonds (distance) C4'-P energy: -63.618 bonds (distance) P-C4' energy: -52.019 flat angles C4'-P-C4' energy: -60.672 flat angles P-C4'-P energy: -31.008 tors. eta vs tors. theta energy: -26.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -640.523150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.523150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.523150 (E_RNA) where: Base-Base interactions energy: -418.888 where: short stacking energy: -185.852 Base-Backbone interact. energy: -2.308 local terms energy: -219.326885 where: bonds (distance) C4'-P energy: -48.254 bonds (distance) P-C4' energy: -59.976 flat angles C4'-P-C4' energy: -52.001 flat angles P-C4'-P energy: -22.333 tors. eta vs tors. theta energy: -36.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -638.474009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.474009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.474009 (E_RNA) where: Base-Base interactions energy: -419.052 where: short stacking energy: -198.733 Base-Backbone interact. energy: -0.498 local terms energy: -218.924595 where: bonds (distance) C4'-P energy: -46.387 bonds (distance) P-C4' energy: -39.577 flat angles C4'-P-C4' energy: -59.315 flat angles P-C4'-P energy: -35.328 tors. eta vs tors. theta energy: -38.317 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -439.945738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.945738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.945738 (E_RNA) where: Base-Base interactions energy: -231.044 where: short stacking energy: -132.730 Base-Backbone interact. energy: 0.364 local terms energy: -209.266109 where: bonds (distance) C4'-P energy: -47.770 bonds (distance) P-C4' energy: -54.116 flat angles C4'-P-C4' energy: -51.984 flat angles P-C4'-P energy: -34.758 tors. eta vs tors. theta energy: -20.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -381.837622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.837622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.837622 (E_RNA) where: Base-Base interactions energy: -200.472 where: short stacking energy: -122.402 Base-Backbone interact. energy: 0.155 local terms energy: -181.520624 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -46.733 flat angles C4'-P-C4' energy: -49.656 flat angles P-C4'-P energy: -15.330 tors. eta vs tors. theta energy: -14.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -281.586787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.586787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.586787 (E_RNA) where: Base-Base interactions energy: -117.144 where: short stacking energy: -76.870 Base-Backbone interact. energy: -1.290 local terms energy: -163.152846 where: bonds (distance) C4'-P energy: -49.227 bonds (distance) P-C4' energy: -61.383 flat angles C4'-P-C4' energy: -43.706 flat angles P-C4'-P energy: -19.036 tors. eta vs tors. theta energy: 10.199 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: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -254.782585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.782585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.782585 (E_RNA) where: Base-Base interactions energy: -88.421 where: short stacking energy: -77.087 Base-Backbone interact. energy: -1.436 local terms energy: -164.925650 where: bonds (distance) C4'-P energy: -51.487 bonds (distance) P-C4' energy: -37.095 flat angles C4'-P-C4' energy: -50.437 flat angles P-C4'-P energy: -30.477 tors. eta vs tors. theta energy: 4.570 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -910.378383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.378383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.378383 (E_RNA) where: Base-Base interactions energy: -621.996 where: short stacking energy: -277.686 Base-Backbone interact. energy: -1.937 local terms energy: -286.445561 where: bonds (distance) C4'-P energy: -62.953 bonds (distance) P-C4' energy: -60.333 flat angles C4'-P-C4' energy: -54.414 flat angles P-C4'-P energy: -38.671 tors. eta vs tors. theta energy: -70.075 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: 2, replica: 6 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -727.645193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.645193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.645193 (E_RNA) where: Base-Base interactions energy: -469.794 where: short stacking energy: -243.701 Base-Backbone interact. energy: 0.195 local terms energy: -258.045833 where: bonds (distance) C4'-P energy: -50.624 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -58.328 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: -62.868 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: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -680.908308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.908308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.908308 (E_RNA) where: Base-Base interactions energy: -424.407 where: short stacking energy: -217.883 Base-Backbone interact. energy: 0.358 local terms energy: -256.858842 where: bonds (distance) C4'-P energy: -64.713 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -52.456 flat angles P-C4'-P energy: -37.347 tors. eta vs tors. theta energy: -48.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -639.865875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.865875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.865875 (E_RNA) where: Base-Base interactions energy: -404.237 where: short stacking energy: -190.474 Base-Backbone interact. energy: -0.535 local terms energy: -235.093478 where: bonds (distance) C4'-P energy: -53.832 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -60.098 flat angles P-C4'-P energy: -22.813 tors. eta vs tors. theta energy: -42.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -670.761033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.761033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.761033 (E_RNA) where: Base-Base interactions energy: -424.879 where: short stacking energy: -207.794 Base-Backbone interact. energy: -0.719 local terms energy: -245.162921 where: bonds (distance) C4'-P energy: -50.249 bonds (distance) P-C4' energy: -58.218 flat angles C4'-P-C4' energy: -56.475 flat angles P-C4'-P energy: -30.273 tors. eta vs tors. theta energy: -49.948 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: 10 Temperature: 1.150000 Total energy: -561.163233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.163233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.163233 (E_RNA) where: Base-Base interactions energy: -346.605 where: short stacking energy: -138.907 Base-Backbone interact. energy: -2.754 local terms energy: -211.803379 where: bonds (distance) C4'-P energy: -46.497 bonds (distance) P-C4' energy: -53.451 flat angles C4'-P-C4' energy: -63.084 flat angles P-C4'-P energy: -24.331 tors. eta vs tors. theta energy: -24.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -460.636518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.636518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.636518 (E_RNA) where: Base-Base interactions energy: -247.554 where: short stacking energy: -147.037 Base-Backbone interact. energy: -0.921 local terms energy: -212.161822 where: bonds (distance) C4'-P energy: -55.908 bonds (distance) P-C4' energy: -44.928 flat angles C4'-P-C4' energy: -45.773 flat angles P-C4'-P energy: -36.681 tors. eta vs tors. theta energy: -28.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -337.052432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.052432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.052432 (E_RNA) where: Base-Base interactions energy: -154.092 where: short stacking energy: -123.071 Base-Backbone interact. energy: -0.291 local terms energy: -182.669403 where: bonds (distance) C4'-P energy: -54.662 bonds (distance) P-C4' energy: -46.218 flat angles C4'-P-C4' energy: -51.309 flat angles P-C4'-P energy: -22.415 tors. eta vs tors. theta energy: -8.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -314.675451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.675451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.675451 (E_RNA) where: Base-Base interactions energy: -139.978 where: short stacking energy: -96.884 Base-Backbone interact. energy: -2.418 local terms energy: -172.279464 where: bonds (distance) C4'-P energy: -43.169 bonds (distance) P-C4' energy: -53.934 flat angles C4'-P-C4' energy: -54.089 flat angles P-C4'-P energy: -22.397 tors. eta vs tors. theta energy: 1.309 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: 10 Temperature: 1.350000 Total energy: -252.529777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.529777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.529777 (E_RNA) where: Base-Base interactions energy: -94.060 where: short stacking energy: -84.541 Base-Backbone interact. energy: 0.859 local terms energy: -159.328535 where: bonds (distance) C4'-P energy: -45.551 bonds (distance) P-C4' energy: -49.703 flat angles C4'-P-C4' energy: -41.633 flat angles P-C4'-P energy: -34.041 tors. eta vs tors. theta energy: 11.599 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -917.655223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.655223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.655223 (E_RNA) where: Base-Base interactions energy: -636.511 where: short stacking energy: -265.133 Base-Backbone interact. energy: -1.261 local terms energy: -279.882589 where: bonds (distance) C4'-P energy: -55.865 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -61.462 flat angles P-C4'-P energy: -36.051 tors. eta vs tors. theta energy: -63.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -760.126122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.126122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.126122 (E_RNA) where: Base-Base interactions energy: -477.514 where: short stacking energy: -242.049 Base-Backbone interact. energy: -0.857 local terms energy: -281.754790 where: bonds (distance) C4'-P energy: -45.443 bonds (distance) P-C4' energy: -61.234 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -65.194 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: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -715.715058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.715058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.715058 (E_RNA) where: Base-Base interactions energy: -456.405 where: short stacking energy: -204.730 Base-Backbone interact. energy: -0.902 local terms energy: -258.407619 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -61.827 flat angles C4'-P-C4' energy: -65.009 flat angles P-C4'-P energy: -30.275 tors. eta vs tors. theta energy: -40.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -682.488693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.488693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.488693 (E_RNA) where: Base-Base interactions energy: -439.403 where: short stacking energy: -207.585 Base-Backbone interact. energy: -0.910 local terms energy: -242.175677 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -50.993 flat angles C4'-P-C4' energy: -57.519 flat angles P-C4'-P energy: -28.302 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: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -612.422932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.422932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.422932 (E_RNA) where: Base-Base interactions energy: -383.750 where: short stacking energy: -183.194 Base-Backbone interact. energy: -1.526 local terms energy: -227.147061 where: bonds (distance) C4'-P energy: -50.522 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -58.281 flat angles P-C4'-P energy: -28.713 tors. eta vs tors. theta energy: -29.704 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: 1 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -590.635738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.635738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.635738 (E_RNA) where: Base-Base interactions energy: -370.258 where: short stacking energy: -195.857 Base-Backbone interact. energy: -1.618 local terms energy: -218.760068 where: bonds (distance) C4'-P energy: -40.352 bonds (distance) P-C4' energy: -45.243 flat angles C4'-P-C4' energy: -51.286 flat angles P-C4'-P energy: -42.531 tors. eta vs tors. theta energy: -39.349 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: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -476.477123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.477123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.477123 (E_RNA) where: Base-Base interactions energy: -266.781 where: short stacking energy: -156.412 Base-Backbone interact. energy: 4.362 local terms energy: -214.057400 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -44.798 flat angles C4'-P-C4' energy: -45.158 flat angles P-C4'-P energy: -39.013 tors. eta vs tors. theta energy: -25.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -332.742485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.742485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.742485 (E_RNA) where: Base-Base interactions energy: -143.068 where: short stacking energy: -126.660 Base-Backbone interact. energy: 4.380 local terms energy: -194.054492 where: bonds (distance) C4'-P energy: -52.087 bonds (distance) P-C4' energy: -54.489 flat angles C4'-P-C4' energy: -45.846 flat angles P-C4'-P energy: -29.717 tors. eta vs tors. theta energy: -11.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -334.288377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.288377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.288377 (E_RNA) where: Base-Base interactions energy: -156.146 where: short stacking energy: -92.713 Base-Backbone interact. energy: 1.291 local terms energy: -179.432785 where: bonds (distance) C4'-P energy: -47.492 bonds (distance) P-C4' energy: -44.674 flat angles C4'-P-C4' energy: -47.588 flat angles P-C4'-P energy: -34.273 tors. eta vs tors. theta energy: -5.407 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: 11 Temperature: 1.350000 Total energy: -260.090464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.090464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.090464 (E_RNA) where: Base-Base interactions energy: -105.481 where: short stacking energy: -67.805 Base-Backbone interact. energy: 1.984 local terms energy: -156.593522 where: bonds (distance) C4'-P energy: -45.181 bonds (distance) P-C4' energy: -48.871 flat angles C4'-P-C4' energy: -46.771 flat angles P-C4'-P energy: -23.377 tors. eta vs tors. theta energy: 7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -917.613743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.613743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.613743 (E_RNA) where: Base-Base interactions energy: -631.799 where: short stacking energy: -259.997 Base-Backbone interact. energy: -1.110 local terms energy: -284.704404 where: bonds (distance) C4'-P energy: -57.214 bonds (distance) P-C4' energy: -60.939 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -55.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -760.831307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.831307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.831307 (E_RNA) where: Base-Base interactions energy: -483.057 where: short stacking energy: -256.297 Base-Backbone interact. energy: -0.631 local terms energy: -277.142755 where: bonds (distance) C4'-P energy: -46.871 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -57.535 flat angles P-C4'-P energy: -35.280 tors. eta vs tors. theta energy: -71.270 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: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -716.613250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.613250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.613250 (E_RNA) where: Base-Base interactions energy: -450.069 where: short stacking energy: -207.620 Base-Backbone interact. energy: -2.188 local terms energy: -264.355996 where: bonds (distance) C4'-P energy: -65.049 bonds (distance) P-C4' energy: -48.469 flat angles C4'-P-C4' energy: -46.357 flat angles P-C4'-P energy: -46.960 tors. eta vs tors. theta energy: -57.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -721.955969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.955969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.955969 (E_RNA) where: Base-Base interactions energy: -470.580 where: short stacking energy: -228.937 Base-Backbone interact. energy: -0.410 local terms energy: -250.965921 where: bonds (distance) C4'-P energy: -49.753 bonds (distance) P-C4' energy: -56.856 flat angles C4'-P-C4' energy: -52.360 flat angles P-C4'-P energy: -37.045 tors. eta vs tors. theta energy: -54.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -606.059505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.059505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.059505 (E_RNA) where: Base-Base interactions energy: -365.853 where: short stacking energy: -180.232 Base-Backbone interact. energy: -0.224 local terms energy: -239.981813 where: bonds (distance) C4'-P energy: -53.025 bonds (distance) P-C4' energy: -67.006 flat angles C4'-P-C4' energy: -49.533 flat angles P-C4'-P energy: -26.473 tors. eta vs tors. theta energy: -43.945 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -593.455030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.455030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.455030 (E_RNA) where: Base-Base interactions energy: -388.911 where: short stacking energy: -161.417 Base-Backbone interact. energy: -1.367 local terms energy: -203.176821 where: bonds (distance) C4'-P energy: -47.004 bonds (distance) P-C4' energy: -55.069 flat angles C4'-P-C4' energy: -45.285 flat angles P-C4'-P energy: -32.579 tors. eta vs tors. theta energy: -23.240 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: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -448.895691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.895691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.895691 (E_RNA) where: Base-Base interactions energy: -237.610 where: short stacking energy: -118.858 Base-Backbone interact. energy: -1.324 local terms energy: -209.961874 where: bonds (distance) C4'-P energy: -53.489 bonds (distance) P-C4' energy: -51.344 flat angles C4'-P-C4' energy: -51.782 flat angles P-C4'-P energy: -34.154 tors. eta vs tors. theta energy: -19.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -402.262518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.262518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.262518 (E_RNA) where: Base-Base interactions energy: -217.827 where: short stacking energy: -143.453 Base-Backbone interact. energy: -2.155 local terms energy: -182.280590 where: bonds (distance) C4'-P energy: -36.375 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -43.610 flat angles P-C4'-P energy: -27.951 tors. eta vs tors. theta energy: -17.841 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -304.787772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.787772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.787772 (E_RNA) where: Base-Base interactions energy: -128.161 where: short stacking energy: -84.523 Base-Backbone interact. energy: 0.273 local terms energy: -176.899327 where: bonds (distance) C4'-P energy: -46.607 bonds (distance) P-C4' energy: -56.218 flat angles C4'-P-C4' energy: -44.799 flat angles P-C4'-P energy: -31.380 tors. eta vs tors. theta energy: 2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -311.467261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.467261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.467261 (E_RNA) where: Base-Base interactions energy: -143.835 where: short stacking energy: -90.369 Base-Backbone interact. energy: -0.389 local terms energy: -167.243778 where: bonds (distance) C4'-P energy: -40.766 bonds (distance) P-C4' energy: -55.923 flat angles C4'-P-C4' energy: -38.888 flat angles P-C4'-P energy: -25.361 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -948.924029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.924029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.924029 (E_RNA) where: Base-Base interactions energy: -661.697 where: short stacking energy: -259.472 Base-Backbone interact. energy: 0.726 local terms energy: -287.953829 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -64.812 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -65.665 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: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -758.944072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.944072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.944072 (E_RNA) where: Base-Base interactions energy: -486.522 where: short stacking energy: -244.770 Base-Backbone interact. energy: -0.894 local terms energy: -271.528092 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -55.928 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -35.820 tors. eta vs tors. theta energy: -64.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -695.707369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.707369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.707369 (E_RNA) where: Base-Base interactions energy: -436.394 where: short stacking energy: -190.034 Base-Backbone interact. energy: -0.754 local terms energy: -258.559900 where: bonds (distance) C4'-P energy: -47.295 bonds (distance) P-C4' energy: -56.913 flat angles C4'-P-C4' energy: -62.064 flat angles P-C4'-P energy: -34.127 tors. eta vs tors. theta energy: -58.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -730.868270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.868270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.868270 (E_RNA) where: Base-Base interactions energy: -476.761 where: short stacking energy: -211.345 Base-Backbone interact. energy: -1.139 local terms energy: -252.968350 where: bonds (distance) C4'-P energy: -53.761 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -62.531 flat angles P-C4'-P energy: -34.694 tors. eta vs tors. theta energy: -40.854 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: 13 Temperature: 1.100000 Total energy: -634.144572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.144572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.144572 (E_RNA) where: Base-Base interactions energy: -391.131 where: short stacking energy: -189.078 Base-Backbone interact. energy: -1.502 local terms energy: -241.511935 where: bonds (distance) C4'-P energy: -55.669 bonds (distance) P-C4' energy: -52.857 flat angles C4'-P-C4' energy: -53.323 flat angles P-C4'-P energy: -36.329 tors. eta vs tors. theta energy: -43.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -525.603858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.603858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.603858 (E_RNA) where: Base-Base interactions energy: -328.966 where: short stacking energy: -145.917 Base-Backbone interact. energy: 0.609 local terms energy: -197.247266 where: bonds (distance) C4'-P energy: -45.683 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -48.795 flat angles P-C4'-P energy: -24.381 tors. eta vs tors. theta energy: -22.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -510.947371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.947371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.947371 (E_RNA) where: Base-Base interactions energy: -305.981 where: short stacking energy: -143.005 Base-Backbone interact. energy: -1.722 local terms energy: -203.243545 where: bonds (distance) C4'-P energy: -50.754 bonds (distance) P-C4' energy: -53.975 flat angles C4'-P-C4' energy: -49.776 flat angles P-C4'-P energy: -21.359 tors. eta vs tors. theta energy: -27.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -423.167549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.167549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.167549 (E_RNA) where: Base-Base interactions energy: -214.550 where: short stacking energy: -138.748 Base-Backbone interact. energy: -0.863 local terms energy: -207.754420 where: bonds (distance) C4'-P energy: -53.851 bonds (distance) P-C4' energy: -47.846 flat angles C4'-P-C4' energy: -48.003 flat angles P-C4'-P energy: -25.518 tors. eta vs tors. theta energy: -32.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -345.803996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.803996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.803996 (E_RNA) where: Base-Base interactions energy: -170.829 where: short stacking energy: -107.873 Base-Backbone interact. energy: 1.984 local terms energy: -176.958181 where: bonds (distance) C4'-P energy: -46.024 bonds (distance) P-C4' energy: -52.855 flat angles C4'-P-C4' energy: -40.046 flat angles P-C4'-P energy: -26.272 tors. eta vs tors. theta energy: -11.762 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: 13 Temperature: 1.350000 Total energy: -319.734636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.734636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.734636 (E_RNA) where: Base-Base interactions energy: -171.003 where: short stacking energy: -96.808 Base-Backbone interact. energy: -0.880 local terms energy: -147.851846 where: bonds (distance) C4'-P energy: -35.391 bonds (distance) P-C4' energy: -53.898 flat angles C4'-P-C4' energy: -34.563 flat angles P-C4'-P energy: -27.845 tors. eta vs tors. theta energy: 3.845 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: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -964.757588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.757588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.757588 (E_RNA) where: Base-Base interactions energy: -683.296 where: short stacking energy: -284.893 Base-Backbone interact. energy: -2.333 local terms energy: -279.128396 where: bonds (distance) C4'-P energy: -56.356 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -58.840 flat angles P-C4'-P energy: -37.321 tors. eta vs tors. theta energy: -68.037 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: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -806.321869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.321869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.321869 (E_RNA) where: Base-Base interactions energy: -526.601 where: short stacking energy: -236.074 Base-Backbone interact. energy: -1.548 local terms energy: -278.172700 where: bonds (distance) C4'-P energy: -55.445 bonds (distance) P-C4' energy: -55.962 flat angles C4'-P-C4' energy: -61.050 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -64.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -840.046007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.046007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.046007 (E_RNA) where: Base-Base interactions energy: -553.904 where: short stacking energy: -249.737 Base-Backbone interact. energy: 0.560 local terms energy: -286.701737 where: bonds (distance) C4'-P energy: -62.171 bonds (distance) P-C4' energy: -51.835 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -38.151 tors. eta vs tors. theta energy: -70.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -722.590131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.590131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.590131 (E_RNA) where: Base-Base interactions energy: -454.554 where: short stacking energy: -218.543 Base-Backbone interact. energy: -0.236 local terms energy: -267.800654 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -56.454 flat angles C4'-P-C4' energy: -56.363 flat angles P-C4'-P energy: -37.341 tors. eta vs tors. theta energy: -60.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -747.760907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.760907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.760907 (E_RNA) where: Base-Base interactions energy: -504.598 where: short stacking energy: -231.143 Base-Backbone interact. energy: -0.212 local terms energy: -242.951068 where: bonds (distance) C4'-P energy: -52.971 bonds (distance) P-C4' energy: -48.395 flat angles C4'-P-C4' energy: -48.310 flat angles P-C4'-P energy: -28.700 tors. eta vs tors. theta energy: -64.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -483.342157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.342157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.342157 (E_RNA) where: Base-Base interactions energy: -263.110 where: short stacking energy: -128.514 Base-Backbone interact. energy: -0.931 local terms energy: -219.301660 where: bonds (distance) C4'-P energy: -52.405 bonds (distance) P-C4' energy: -56.808 flat angles C4'-P-C4' energy: -59.420 flat angles P-C4'-P energy: -31.145 tors. eta vs tors. theta energy: -19.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -478.822412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.822412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.822412 (E_RNA) where: Base-Base interactions energy: -287.929 where: short stacking energy: -159.629 Base-Backbone interact. energy: 2.703 local terms energy: -193.597070 where: bonds (distance) C4'-P energy: -43.060 bonds (distance) P-C4' energy: -46.931 flat angles C4'-P-C4' energy: -47.695 flat angles P-C4'-P energy: -23.766 tors. eta vs tors. theta energy: -32.145 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -382.731454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.731454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.731454 (E_RNA) where: Base-Base interactions energy: -166.918 where: short stacking energy: -126.125 Base-Backbone interact. energy: -0.594 local terms energy: -215.219752 where: bonds (distance) C4'-P energy: -52.992 bonds (distance) P-C4' energy: -56.680 flat angles C4'-P-C4' energy: -44.083 flat angles P-C4'-P energy: -36.666 tors. eta vs tors. theta energy: -24.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -359.489967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.489967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.489967 (E_RNA) where: Base-Base interactions energy: -181.412 where: short stacking energy: -128.795 Base-Backbone interact. energy: -0.743 local terms energy: -177.334123 where: bonds (distance) C4'-P energy: -33.660 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -41.540 flat angles P-C4'-P energy: -21.911 tors. eta vs tors. theta energy: -16.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -268.702940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.702940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.702940 (E_RNA) where: Base-Base interactions energy: -116.735 where: short stacking energy: -73.527 Base-Backbone interact. energy: 1.422 local terms energy: -153.389279 where: bonds (distance) C4'-P energy: -50.356 bonds (distance) P-C4' energy: -58.204 flat angles C4'-P-C4' energy: -39.152 flat angles P-C4'-P energy: -19.434 tors. eta vs tors. theta energy: 13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -966.381777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.381777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.381777 (E_RNA) where: Base-Base interactions energy: -677.978 where: short stacking energy: -273.451 Base-Backbone interact. energy: -1.958 local terms energy: -286.445683 where: bonds (distance) C4'-P energy: -61.602 bonds (distance) P-C4' energy: -59.732 flat angles C4'-P-C4' energy: -55.384 flat angles P-C4'-P energy: -41.493 tors. eta vs tors. theta energy: -68.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -838.435823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.435823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.435823 (E_RNA) where: Base-Base interactions energy: -549.031 where: short stacking energy: -244.215 Base-Backbone interact. energy: -0.777 local terms energy: -288.628154 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -58.694 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -42.847 tors. eta vs tors. theta energy: -65.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -768.744899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.744899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.744899 (E_RNA) where: Base-Base interactions energy: -488.860 where: short stacking energy: -207.278 Base-Backbone interact. energy: -1.985 local terms energy: -277.900051 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -60.425 flat angles C4'-P-C4' energy: -54.575 flat angles P-C4'-P energy: -42.006 tors. eta vs tors. theta energy: -55.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -797.219939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.219939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.219939 (E_RNA) where: Base-Base interactions energy: -521.267 where: short stacking energy: -250.834 Base-Backbone interact. energy: -1.124 local terms energy: -274.828460 where: bonds (distance) C4'-P energy: -63.577 bonds (distance) P-C4' energy: -50.977 flat angles C4'-P-C4' energy: -55.453 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -67.924 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: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -677.019731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.019731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.019731 (E_RNA) where: Base-Base interactions energy: -437.457 where: short stacking energy: -190.529 Base-Backbone interact. energy: -4.527 local terms energy: -235.035426 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -44.107 flat angles C4'-P-C4' energy: -65.287 flat angles P-C4'-P energy: -28.031 tors. eta vs tors. theta energy: -45.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -498.839829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.839829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.839829 (E_RNA) where: Base-Base interactions energy: -280.366 where: short stacking energy: -150.514 Base-Backbone interact. energy: 1.756 local terms energy: -220.229808 where: bonds (distance) C4'-P energy: -58.931 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -43.486 flat angles P-C4'-P energy: -29.569 tors. eta vs tors. theta energy: -29.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -450.477682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.477682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.477682 (E_RNA) where: Base-Base interactions energy: -239.298 where: short stacking energy: -142.569 Base-Backbone interact. energy: 2.765 local terms energy: -213.944524 where: bonds (distance) C4'-P energy: -47.405 bonds (distance) P-C4' energy: -58.601 flat angles C4'-P-C4' energy: -53.351 flat angles P-C4'-P energy: -32.707 tors. eta vs tors. theta energy: -21.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -376.297687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.297687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.297687 (E_RNA) where: Base-Base interactions energy: -199.849 where: short stacking energy: -109.677 Base-Backbone interact. energy: -0.864 local terms energy: -175.584265 where: bonds (distance) C4'-P energy: -48.621 bonds (distance) P-C4' energy: -45.662 flat angles C4'-P-C4' energy: -46.231 flat angles P-C4'-P energy: -22.419 tors. eta vs tors. theta energy: -12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -345.258247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.258247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.258247 (E_RNA) where: Base-Base interactions energy: -162.319 where: short stacking energy: -119.381 Base-Backbone interact. energy: 4.031 local terms energy: -186.969889 where: bonds (distance) C4'-P energy: -49.529 bonds (distance) P-C4' energy: -55.643 flat angles C4'-P-C4' energy: -50.078 flat angles P-C4'-P energy: -21.673 tors. eta vs tors. theta energy: -10.046 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -265.412702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.412702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.412702 (E_RNA) where: Base-Base interactions energy: -104.262 where: short stacking energy: -83.313 Base-Backbone interact. energy: 1.540 local terms energy: -162.690436 where: bonds (distance) C4'-P energy: -47.214 bonds (distance) P-C4' energy: -46.879 flat angles C4'-P-C4' energy: -48.660 flat angles P-C4'-P energy: -21.108 tors. eta vs tors. theta energy: 1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -973.515885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.515885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.515885 (E_RNA) where: Base-Base interactions energy: -671.436 where: short stacking energy: -274.049 Base-Backbone interact. energy: -1.173 local terms energy: -300.907043 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -70.182 flat angles P-C4'-P energy: -45.110 tors. eta vs tors. theta energy: -69.577 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: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -878.843520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.843520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.843520 (E_RNA) where: Base-Base interactions energy: -615.943 where: short stacking energy: -280.846 Base-Backbone interact. energy: 4.929 local terms energy: -267.829816 where: bonds (distance) C4'-P energy: -52.893 bonds (distance) P-C4' energy: -49.490 flat angles C4'-P-C4' energy: -60.798 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: -67.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -862.290695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.290695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.290695 (E_RNA) where: Base-Base interactions energy: -577.766 where: short stacking energy: -262.189 Base-Backbone interact. energy: 0.278 local terms energy: -284.802372 where: bonds (distance) C4'-P energy: -49.446 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -62.229 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -73.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -734.777831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.777831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.777831 (E_RNA) where: Base-Base interactions energy: -484.514 where: short stacking energy: -242.387 Base-Backbone interact. energy: -0.880 local terms energy: -249.383763 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -47.949 flat angles C4'-P-C4' energy: -47.290 flat angles P-C4'-P energy: -29.782 tors. eta vs tors. theta energy: -63.046 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: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -667.605335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.605335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.605335 (E_RNA) where: Base-Base interactions energy: -435.433 where: short stacking energy: -221.794 Base-Backbone interact. energy: -1.157 local terms energy: -231.015877 where: bonds (distance) C4'-P energy: -43.033 bonds (distance) P-C4' energy: -52.277 flat angles C4'-P-C4' energy: -59.456 flat angles P-C4'-P energy: -20.132 tors. eta vs tors. theta energy: -56.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -496.741948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.741948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.741948 (E_RNA) where: Base-Base interactions energy: -284.399 where: short stacking energy: -154.264 Base-Backbone interact. energy: -0.984 local terms energy: -211.359442 where: bonds (distance) C4'-P energy: -45.445 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -51.836 flat angles P-C4'-P energy: -29.633 tors. eta vs tors. theta energy: -26.543 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -471.132843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.132843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.132843 (E_RNA) where: Base-Base interactions energy: -290.850 where: short stacking energy: -133.844 Base-Backbone interact. energy: -2.392 local terms energy: -177.890116 where: bonds (distance) C4'-P energy: -43.498 bonds (distance) P-C4' energy: -47.201 flat angles C4'-P-C4' energy: -45.076 flat angles P-C4'-P energy: -25.420 tors. eta vs tors. theta energy: -16.695 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: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -420.074534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.074534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.074534 (E_RNA) where: Base-Base interactions energy: -214.054 where: short stacking energy: -121.016 Base-Backbone interact. energy: -1.243 local terms energy: -204.777362 where: bonds (distance) C4'-P energy: -50.487 bonds (distance) P-C4' energy: -51.237 flat angles C4'-P-C4' energy: -52.415 flat angles P-C4'-P energy: -32.598 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -366.567029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.567029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.567029 (E_RNA) where: Base-Base interactions energy: -177.699 where: short stacking energy: -122.788 Base-Backbone interact. energy: -1.149 local terms energy: -187.719759 where: bonds (distance) C4'-P energy: -42.777 bonds (distance) P-C4' energy: -55.295 flat angles C4'-P-C4' energy: -53.204 flat angles P-C4'-P energy: -21.176 tors. eta vs tors. theta energy: -15.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -253.136881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.136881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.136881 (E_RNA) where: Base-Base interactions energy: -78.327 where: short stacking energy: -70.403 Base-Backbone interact. energy: 2.781 local terms energy: -177.591616 where: bonds (distance) C4'-P energy: -51.282 bonds (distance) P-C4' energy: -54.083 flat angles C4'-P-C4' energy: -47.334 flat angles P-C4'-P energy: -29.989 tors. eta vs tors. theta energy: 5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -962.826893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.826893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.826893 (E_RNA) where: Base-Base interactions energy: -673.848 where: short stacking energy: -269.462 Base-Backbone interact. energy: -0.732 local terms energy: -288.247401 where: bonds (distance) C4'-P energy: -59.291 bonds (distance) P-C4' energy: -60.749 flat angles C4'-P-C4' energy: -62.532 flat angles P-C4'-P energy: -39.688 tors. eta vs tors. theta energy: -65.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -876.439145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.439145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.439145 (E_RNA) where: Base-Base interactions energy: -599.146 where: short stacking energy: -274.032 Base-Backbone interact. energy: -1.567 local terms energy: -275.726322 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -53.082 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -40.209 tors. eta vs tors. theta energy: -64.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -910.726577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.726577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.726577 (E_RNA) where: Base-Base interactions energy: -618.267 where: short stacking energy: -271.893 Base-Backbone interact. energy: -3.001 local terms energy: -289.459355 where: bonds (distance) C4'-P energy: -54.455 bonds (distance) P-C4' energy: -61.924 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -41.321 tors. eta vs tors. theta energy: -67.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -710.356934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.356934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.356934 (E_RNA) where: Base-Base interactions energy: -438.932 where: short stacking energy: -212.139 Base-Backbone interact. energy: 0.040 local terms energy: -271.465261 where: bonds (distance) C4'-P energy: -57.660 bonds (distance) P-C4' energy: -57.963 flat angles C4'-P-C4' energy: -62.578 flat angles P-C4'-P energy: -33.635 tors. eta vs tors. theta energy: -59.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -679.981391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.981391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.981391 (E_RNA) where: Base-Base interactions energy: -434.372 where: short stacking energy: -202.447 Base-Backbone interact. energy: -1.489 local terms energy: -244.119970 where: bonds (distance) C4'-P energy: -57.508 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -52.335 flat angles P-C4'-P energy: -35.425 tors. eta vs tors. theta energy: -41.436 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: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -466.973812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.973812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.973812 (E_RNA) where: Base-Base interactions energy: -257.475 where: short stacking energy: -136.558 Base-Backbone interact. energy: -0.563 local terms energy: -208.936436 where: bonds (distance) C4'-P energy: -45.124 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -53.293 flat angles P-C4'-P energy: -34.105 tors. eta vs tors. theta energy: -12.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -458.833130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.833130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.833130 (E_RNA) where: Base-Base interactions energy: -250.413 where: short stacking energy: -142.282 Base-Backbone interact. energy: 0.846 local terms energy: -209.266285 where: bonds (distance) C4'-P energy: -50.770 bonds (distance) P-C4' energy: -54.988 flat angles C4'-P-C4' energy: -45.630 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -18.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -412.379119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.379119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.379119 (E_RNA) where: Base-Base interactions energy: -227.203 where: short stacking energy: -120.899 Base-Backbone interact. energy: -0.985 local terms energy: -184.190919 where: bonds (distance) C4'-P energy: -47.198 bonds (distance) P-C4' energy: -54.541 flat angles C4'-P-C4' energy: -39.353 flat angles P-C4'-P energy: -30.799 tors. eta vs tors. theta energy: -12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -318.068514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.068514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.068514 (E_RNA) where: Base-Base interactions energy: -164.125 where: short stacking energy: -112.018 Base-Backbone interact. energy: 3.726 local terms energy: -157.669842 where: bonds (distance) C4'-P energy: -34.993 bonds (distance) P-C4' energy: -47.873 flat angles C4'-P-C4' energy: -48.551 flat angles P-C4'-P energy: -23.724 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -267.230229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.230229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.230229 (E_RNA) where: Base-Base interactions energy: -106.313 where: short stacking energy: -71.247 Base-Backbone interact. energy: 4.082 local terms energy: -164.999292 where: bonds (distance) C4'-P energy: -51.072 bonds (distance) P-C4' energy: -40.702 flat angles C4'-P-C4' energy: -45.672 flat angles P-C4'-P energy: -34.103 tors. eta vs tors. theta energy: 6.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -962.524520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.524520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.524520 (E_RNA) where: Base-Base interactions energy: -686.392 where: short stacking energy: -271.520 Base-Backbone interact. energy: -1.850 local terms energy: -274.282640 where: bonds (distance) C4'-P energy: -55.862 bonds (distance) P-C4' energy: -57.253 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -36.857 tors. eta vs tors. theta energy: -60.840 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: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -906.412329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.412329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.412329 (E_RNA) where: Base-Base interactions energy: -596.923 where: short stacking energy: -276.827 Base-Backbone interact. energy: -0.680 local terms energy: -308.809415 where: bonds (distance) C4'-P energy: -61.150 bonds (distance) P-C4' energy: -67.133 flat angles C4'-P-C4' energy: -65.073 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -73.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -891.550032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.550032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.550032 (E_RNA) where: Base-Base interactions energy: -598.981 where: short stacking energy: -262.277 Base-Backbone interact. energy: -1.610 local terms energy: -290.959087 where: bonds (distance) C4'-P energy: -55.147 bonds (distance) P-C4' energy: -55.561 flat angles C4'-P-C4' energy: -61.839 flat angles P-C4'-P energy: -43.788 tors. eta vs tors. theta energy: -74.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -718.546788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.546788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.546788 (E_RNA) where: Base-Base interactions energy: -454.678 where: short stacking energy: -223.141 Base-Backbone interact. energy: -0.017 local terms energy: -263.851103 where: bonds (distance) C4'-P energy: -58.551 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -50.401 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -60.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -695.092503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.092503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.092503 (E_RNA) where: Base-Base interactions energy: -449.581 where: short stacking energy: -207.836 Base-Backbone interact. energy: 0.607 local terms energy: -246.118792 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -46.561 flat angles C4'-P-C4' energy: -63.180 flat angles P-C4'-P energy: -32.312 tors. eta vs tors. theta energy: -49.820 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: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -508.840558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.840558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.840558 (E_RNA) where: Base-Base interactions energy: -302.156 where: short stacking energy: -140.660 Base-Backbone interact. energy: -0.039 local terms energy: -206.645143 where: bonds (distance) C4'-P energy: -54.674 bonds (distance) P-C4' energy: -45.010 flat angles C4'-P-C4' energy: -53.209 flat angles P-C4'-P energy: -33.836 tors. eta vs tors. theta energy: -19.915 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: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -484.218152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.218152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.218152 (E_RNA) where: Base-Base interactions energy: -262.127 where: short stacking energy: -166.271 Base-Backbone interact. energy: 0.483 local terms energy: -222.574119 where: bonds (distance) C4'-P energy: -51.808 bonds (distance) P-C4' energy: -48.900 flat angles C4'-P-C4' energy: -55.729 flat angles P-C4'-P energy: -30.361 tors. eta vs tors. theta energy: -35.776 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: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -402.616343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.616343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.616343 (E_RNA) where: Base-Base interactions energy: -225.401 where: short stacking energy: -146.922 Base-Backbone interact. energy: 0.642 local terms energy: -177.857823 where: bonds (distance) C4'-P energy: -49.510 bonds (distance) P-C4' energy: -51.310 flat angles C4'-P-C4' energy: -34.492 flat angles P-C4'-P energy: -20.307 tors. eta vs tors. theta energy: -22.240 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: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -363.974641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.974641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.974641 (E_RNA) where: Base-Base interactions energy: -189.685 where: short stacking energy: -109.752 Base-Backbone interact. energy: -1.399 local terms energy: -172.891254 where: bonds (distance) C4'-P energy: -45.157 bonds (distance) P-C4' energy: -46.959 flat angles C4'-P-C4' energy: -42.086 flat angles P-C4'-P energy: -22.212 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -293.635435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.635435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.635435 (E_RNA) where: Base-Base interactions energy: -97.435 where: short stacking energy: -89.891 Base-Backbone interact. energy: -0.242 local terms energy: -195.959124 where: bonds (distance) C4'-P energy: -43.399 bonds (distance) P-C4' energy: -65.117 flat angles C4'-P-C4' energy: -46.807 flat angles P-C4'-P energy: -30.226 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -966.440555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.440555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.440555 (E_RNA) where: Base-Base interactions energy: -686.186 where: short stacking energy: -268.604 Base-Backbone interact. energy: -1.202 local terms energy: -279.052561 where: bonds (distance) C4'-P energy: -52.536 bonds (distance) P-C4' energy: -59.871 flat angles C4'-P-C4' energy: -53.917 flat angles P-C4'-P energy: -49.329 tors. eta vs tors. theta energy: -63.399 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: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -902.780578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.780578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.780578 (E_RNA) where: Base-Base interactions energy: -624.394 where: short stacking energy: -278.283 Base-Backbone interact. energy: -2.123 local terms energy: -276.263152 where: bonds (distance) C4'-P energy: -54.103 bonds (distance) P-C4' energy: -54.304 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -64.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -857.297198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.297198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.297198 (E_RNA) where: Base-Base interactions energy: -581.464 where: short stacking energy: -265.493 Base-Backbone interact. energy: -1.891 local terms energy: -273.942471 where: bonds (distance) C4'-P energy: -47.031 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -57.456 flat angles P-C4'-P energy: -37.773 tors. eta vs tors. theta energy: -70.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -763.488982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.488982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.488982 (E_RNA) where: Base-Base interactions energy: -502.554 where: short stacking energy: -239.139 Base-Backbone interact. energy: 1.473 local terms energy: -262.407618 where: bonds (distance) C4'-P energy: -61.528 bonds (distance) P-C4' energy: -50.498 flat angles C4'-P-C4' energy: -56.399 flat angles P-C4'-P energy: -33.942 tors. eta vs tors. theta energy: -60.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -679.930782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.930782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.930782 (E_RNA) where: Base-Base interactions energy: -430.733 where: short stacking energy: -209.248 Base-Backbone interact. energy: -0.397 local terms energy: -248.800984 where: bonds (distance) C4'-P energy: -58.065 bonds (distance) P-C4' energy: -45.996 flat angles C4'-P-C4' energy: -62.035 flat angles P-C4'-P energy: -23.911 tors. eta vs tors. theta energy: -58.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -541.019432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.019432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.019432 (E_RNA) where: Base-Base interactions energy: -321.976 where: short stacking energy: -151.244 Base-Backbone interact. energy: -1.275 local terms energy: -217.768646 where: bonds (distance) C4'-P energy: -37.245 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -46.524 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -33.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -492.296183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.296183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.296183 (E_RNA) where: Base-Base interactions energy: -282.787 where: short stacking energy: -145.682 Base-Backbone interact. energy: -1.660 local terms energy: -207.849149 where: bonds (distance) C4'-P energy: -46.365 bonds (distance) P-C4' energy: -43.205 flat angles C4'-P-C4' energy: -56.017 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -23.865 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: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -388.177155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.177155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.177155 (E_RNA) where: Base-Base interactions energy: -181.563 where: short stacking energy: -126.392 Base-Backbone interact. energy: -0.575 local terms energy: -206.038780 where: bonds (distance) C4'-P energy: -52.557 bonds (distance) P-C4' energy: -45.959 flat angles C4'-P-C4' energy: -55.805 flat angles P-C4'-P energy: -37.049 tors. eta vs tors. theta energy: -14.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -358.137596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.137596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.137596 (E_RNA) where: Base-Base interactions energy: -193.906 where: short stacking energy: -106.064 Base-Backbone interact. energy: 0.758 local terms energy: -164.988951 where: bonds (distance) C4'-P energy: -46.088 bonds (distance) P-C4' energy: -46.765 flat angles C4'-P-C4' energy: -48.713 flat angles P-C4'-P energy: -26.209 tors. eta vs tors. theta energy: 2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -264.239065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.239065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.239065 (E_RNA) where: Base-Base interactions energy: -112.795 where: short stacking energy: -81.604 Base-Backbone interact. energy: 1.296 local terms energy: -152.740764 where: bonds (distance) C4'-P energy: -35.761 bonds (distance) P-C4' energy: -51.529 flat angles C4'-P-C4' energy: -44.084 flat angles P-C4'-P energy: -33.037 tors. eta vs tors. theta energy: 11.670 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: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1011.215794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.215794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.215794 (E_RNA) where: Base-Base interactions energy: -712.211 where: short stacking energy: -303.408 Base-Backbone interact. energy: -0.735 local terms energy: -298.269279 where: bonds (distance) C4'-P energy: -51.529 bonds (distance) P-C4' energy: -58.886 flat angles C4'-P-C4' energy: -62.846 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -78.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -916.424703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.424703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.424703 (E_RNA) where: Base-Base interactions energy: -626.253 where: short stacking energy: -259.552 Base-Backbone interact. energy: -2.188 local terms energy: -287.983870 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -62.276 flat angles C4'-P-C4' energy: -58.839 flat angles P-C4'-P energy: -28.525 tors. eta vs tors. theta energy: -74.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -851.136820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.136820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.136820 (E_RNA) where: Base-Base interactions energy: -562.381 where: short stacking energy: -246.916 Base-Backbone interact. energy: -2.440 local terms energy: -286.316011 where: bonds (distance) C4'-P energy: -60.266 bonds (distance) P-C4' energy: -54.946 flat angles C4'-P-C4' energy: -61.081 flat angles P-C4'-P energy: -41.230 tors. eta vs tors. theta energy: -68.794 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: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -739.732552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.732552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.732552 (E_RNA) where: Base-Base interactions energy: -475.785 where: short stacking energy: -211.608 Base-Backbone interact. energy: -0.634 local terms energy: -263.313913 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -51.832 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -43.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -663.312394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.312394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.312394 (E_RNA) where: Base-Base interactions energy: -421.260 where: short stacking energy: -206.091 Base-Backbone interact. energy: -0.416 local terms energy: -241.635858 where: bonds (distance) C4'-P energy: -44.379 bonds (distance) P-C4' energy: -49.812 flat angles C4'-P-C4' energy: -64.029 flat angles P-C4'-P energy: -26.635 tors. eta vs tors. theta energy: -56.782 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: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -581.198098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.198098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.198098 (E_RNA) where: Base-Base interactions energy: -350.766 where: short stacking energy: -194.754 Base-Backbone interact. energy: -0.256 local terms energy: -230.176404 where: bonds (distance) C4'-P energy: -48.207 bonds (distance) P-C4' energy: -59.817 flat angles C4'-P-C4' energy: -54.947 flat angles P-C4'-P energy: -36.438 tors. eta vs tors. theta energy: -30.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -497.721820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.721820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.721820 (E_RNA) where: Base-Base interactions energy: -300.549 where: short stacking energy: -149.453 Base-Backbone interact. energy: -1.282 local terms energy: -195.890875 where: bonds (distance) C4'-P energy: -54.782 bonds (distance) P-C4' energy: -45.898 flat angles C4'-P-C4' energy: -39.001 flat angles P-C4'-P energy: -32.599 tors. eta vs tors. theta energy: -23.611 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: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -359.189949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.189949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.189949 (E_RNA) where: Base-Base interactions energy: -143.828 where: short stacking energy: -101.352 Base-Backbone interact. energy: 0.411 local terms energy: -215.773376 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -60.028 flat angles P-C4'-P energy: -35.421 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -400.566893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.566893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.566893 (E_RNA) where: Base-Base interactions energy: -204.575 where: short stacking energy: -116.143 Base-Backbone interact. energy: -0.889 local terms energy: -195.103142 where: bonds (distance) C4'-P energy: -42.357 bonds (distance) P-C4' energy: -52.116 flat angles C4'-P-C4' energy: -44.265 flat angles P-C4'-P energy: -39.578 tors. eta vs tors. theta energy: -16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -269.023867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.023867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.023867 (E_RNA) where: Base-Base interactions energy: -101.056 where: short stacking energy: -79.027 Base-Backbone interact. energy: -0.944 local terms energy: -167.024279 where: bonds (distance) C4'-P energy: -39.419 bonds (distance) P-C4' energy: -53.003 flat angles C4'-P-C4' energy: -42.819 flat angles P-C4'-P energy: -33.942 tors. eta vs tors. theta energy: 2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1018.380436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.380436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.380436 (E_RNA) where: Base-Base interactions energy: -724.435 where: short stacking energy: -300.156 Base-Backbone interact. energy: -0.895 local terms energy: -293.050509 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -45.064 flat angles C4'-P-C4' energy: -69.399 flat angles P-C4'-P energy: -41.338 tors. eta vs tors. theta energy: -79.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -926.076638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.076638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.076638 (E_RNA) where: Base-Base interactions energy: -645.485 where: short stacking energy: -281.402 Base-Backbone interact. energy: 2.703 local terms energy: -283.293990 where: bonds (distance) C4'-P energy: -58.638 bonds (distance) P-C4' energy: -49.436 flat angles C4'-P-C4' energy: -67.567 flat angles P-C4'-P energy: -32.787 tors. eta vs tors. theta energy: -74.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -869.065145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.065145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.065145 (E_RNA) where: Base-Base interactions energy: -587.318 where: short stacking energy: -262.776 Base-Backbone interact. energy: -0.690 local terms energy: -281.057822 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -45.755 flat angles C4'-P-C4' energy: -63.050 flat angles P-C4'-P energy: -44.449 tors. eta vs tors. theta energy: -66.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -669.830412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.830412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.830412 (E_RNA) where: Base-Base interactions energy: -433.853 where: short stacking energy: -212.790 Base-Backbone interact. energy: 0.270 local terms energy: -236.247136 where: bonds (distance) C4'-P energy: -58.304 bonds (distance) P-C4' energy: -51.964 flat angles C4'-P-C4' energy: -45.732 flat angles P-C4'-P energy: -27.968 tors. eta vs tors. theta energy: -52.280 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -746.200717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.200717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.200717 (E_RNA) where: Base-Base interactions energy: -484.889 where: short stacking energy: -228.223 Base-Backbone interact. energy: 0.648 local terms energy: -261.958934 where: bonds (distance) C4'-P energy: -48.505 bonds (distance) P-C4' energy: -56.846 flat angles C4'-P-C4' energy: -50.999 flat angles P-C4'-P energy: -40.416 tors. eta vs tors. theta energy: -65.193 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: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -540.777682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.777682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.777682 (E_RNA) where: Base-Base interactions energy: -314.126 where: short stacking energy: -179.230 Base-Backbone interact. energy: -1.486 local terms energy: -225.165980 where: bonds (distance) C4'-P energy: -46.397 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -51.754 flat angles P-C4'-P energy: -30.750 tors. eta vs tors. theta energy: -42.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -559.444137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.444137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.444137 (E_RNA) where: Base-Base interactions energy: -362.273 where: short stacking energy: -153.225 Base-Backbone interact. energy: -0.843 local terms energy: -196.328419 where: bonds (distance) C4'-P energy: -54.872 bonds (distance) P-C4' energy: -47.327 flat angles C4'-P-C4' energy: -47.943 flat angles P-C4'-P energy: -22.454 tors. eta vs tors. theta energy: -23.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -426.973103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.973103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.973103 (E_RNA) where: Base-Base interactions energy: -244.598 where: short stacking energy: -135.425 Base-Backbone interact. energy: 0.425 local terms energy: -182.799384 where: bonds (distance) C4'-P energy: -48.541 bonds (distance) P-C4' energy: -36.501 flat angles C4'-P-C4' energy: -43.544 flat angles P-C4'-P energy: -30.905 tors. eta vs tors. theta energy: -23.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -355.317980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.317980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.317980 (E_RNA) where: Base-Base interactions energy: -180.020 where: short stacking energy: -122.429 Base-Backbone interact. energy: -0.904 local terms energy: -174.394519 where: bonds (distance) C4'-P energy: -35.228 bonds (distance) P-C4' energy: -41.023 flat angles C4'-P-C4' energy: -46.409 flat angles P-C4'-P energy: -29.398 tors. eta vs tors. theta energy: -22.336 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: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -254.542221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.542221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.542221 (E_RNA) where: Base-Base interactions energy: -90.113 where: short stacking energy: -78.596 Base-Backbone interact. energy: 0.488 local terms energy: -164.916561 where: bonds (distance) C4'-P energy: -41.067 bonds (distance) P-C4' energy: -57.024 flat angles C4'-P-C4' energy: -43.269 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: 10.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1006.557297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.557297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.557297 (E_RNA) where: Base-Base interactions energy: -693.132 where: short stacking energy: -298.032 Base-Backbone interact. energy: -1.025 local terms energy: -312.400031 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -65.255 flat angles P-C4'-P energy: -42.712 tors. eta vs tors. theta energy: -79.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -948.482821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.482821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.482821 (E_RNA) where: Base-Base interactions energy: -667.416 where: short stacking energy: -271.722 Base-Backbone interact. energy: -0.846 local terms energy: -280.221348 where: bonds (distance) C4'-P energy: -52.694 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -59.200 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -68.238 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: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -866.723588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.723588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.723588 (E_RNA) where: Base-Base interactions energy: -595.889 where: short stacking energy: -265.813 Base-Backbone interact. energy: -1.244 local terms energy: -269.590794 where: bonds (distance) C4'-P energy: -47.333 bonds (distance) P-C4' energy: -55.230 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -34.130 tors. eta vs tors. theta energy: -70.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -697.816522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.816522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.816522 (E_RNA) where: Base-Base interactions energy: -446.549 where: short stacking energy: -201.239 Base-Backbone interact. energy: 0.023 local terms energy: -251.290467 where: bonds (distance) C4'-P energy: -55.526 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -57.985 flat angles P-C4'-P energy: -34.870 tors. eta vs tors. theta energy: -48.420 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: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -731.513262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.513262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.513262 (E_RNA) where: Base-Base interactions energy: -490.842 where: short stacking energy: -185.527 Base-Backbone interact. energy: -2.042 local terms energy: -238.629322 where: bonds (distance) C4'-P energy: -57.298 bonds (distance) P-C4' energy: -59.480 flat angles C4'-P-C4' energy: -49.404 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -34.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -633.099725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.099725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.099725 (E_RNA) where: Base-Base interactions energy: -397.597 where: short stacking energy: -199.130 Base-Backbone interact. energy: -0.866 local terms energy: -234.637178 where: bonds (distance) C4'-P energy: -43.004 bonds (distance) P-C4' energy: -56.863 flat angles C4'-P-C4' energy: -59.881 flat angles P-C4'-P energy: -30.678 tors. eta vs tors. theta energy: -44.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -636.552910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.552910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.552910 (E_RNA) where: Base-Base interactions energy: -418.676 where: short stacking energy: -176.109 Base-Backbone interact. energy: -2.726 local terms energy: -215.151133 where: bonds (distance) C4'-P energy: -41.399 bonds (distance) P-C4' energy: -48.448 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -32.917 tors. eta vs tors. theta energy: -33.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -452.770382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.770382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.770382 (E_RNA) where: Base-Base interactions energy: -251.118 where: short stacking energy: -125.732 Base-Backbone interact. energy: 2.204 local terms energy: -203.855561 where: bonds (distance) C4'-P energy: -47.608 bonds (distance) P-C4' energy: -61.605 flat angles C4'-P-C4' energy: -49.762 flat angles P-C4'-P energy: -30.455 tors. eta vs tors. theta energy: -14.426 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: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -286.142893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.142893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.142893 (E_RNA) where: Base-Base interactions energy: -117.321 where: short stacking energy: -76.546 Base-Backbone interact. energy: 3.239 local terms energy: -172.061029 where: bonds (distance) C4'-P energy: -49.289 bonds (distance) P-C4' energy: -48.825 flat angles C4'-P-C4' energy: -50.766 flat angles P-C4'-P energy: -24.532 tors. eta vs tors. theta energy: 1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -300.929300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.929300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.929300 (E_RNA) where: Base-Base interactions energy: -126.591 where: short stacking energy: -75.062 Base-Backbone interact. energy: -0.077 local terms energy: -174.261820 where: bonds (distance) C4'-P energy: -48.436 bonds (distance) P-C4' energy: -49.096 flat angles C4'-P-C4' energy: -34.701 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: 1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1027.752840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.752840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.752840 (E_RNA) where: Base-Base interactions energy: -719.925 where: short stacking energy: -303.373 Base-Backbone interact. energy: 1.585 local terms energy: -309.412622 where: bonds (distance) C4'-P energy: -64.118 bonds (distance) P-C4' energy: -56.245 flat angles C4'-P-C4' energy: -67.825 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: -80.062 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: 2, replica: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -958.751739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.751739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.751739 (E_RNA) where: Base-Base interactions energy: -661.188 where: short stacking energy: -268.404 Base-Backbone interact. energy: -1.807 local terms energy: -295.757637 where: bonds (distance) C4'-P energy: -60.859 bonds (distance) P-C4' energy: -54.268 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -39.527 tors. eta vs tors. theta energy: -75.270 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: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -887.188077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.188077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.188077 (E_RNA) where: Base-Base interactions energy: -603.866 where: short stacking energy: -272.630 Base-Backbone interact. energy: -1.196 local terms energy: -282.125657 where: bonds (distance) C4'-P energy: -51.835 bonds (distance) P-C4' energy: -50.534 flat angles C4'-P-C4' energy: -61.042 flat angles P-C4'-P energy: -43.794 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -710.128084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.128084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.128084 (E_RNA) where: Base-Base interactions energy: -447.395 where: short stacking energy: -222.705 Base-Backbone interact. energy: -1.800 local terms energy: -260.932847 where: bonds (distance) C4'-P energy: -48.835 bonds (distance) P-C4' energy: -66.773 flat angles C4'-P-C4' energy: -56.188 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: -47.855 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: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -703.175902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.175902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.175902 (E_RNA) where: Base-Base interactions energy: -453.474 where: short stacking energy: -216.078 Base-Backbone interact. energy: -1.237 local terms energy: -248.464322 where: bonds (distance) C4'-P energy: -43.691 bonds (distance) P-C4' energy: -54.242 flat angles C4'-P-C4' energy: -58.892 flat angles P-C4'-P energy: -35.627 tors. eta vs tors. theta energy: -56.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -673.299154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.299154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.299154 (E_RNA) where: Base-Base interactions energy: -418.391 where: short stacking energy: -199.507 Base-Backbone interact. energy: 0.012 local terms energy: -254.920333 where: bonds (distance) C4'-P energy: -52.114 bonds (distance) P-C4' energy: -61.009 flat angles C4'-P-C4' energy: -52.247 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -49.822 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: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -646.298519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.298519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.298519 (E_RNA) where: Base-Base interactions energy: -417.284 where: short stacking energy: -192.848 Base-Backbone interact. energy: 1.331 local terms energy: -230.345304 where: bonds (distance) C4'-P energy: -47.557 bonds (distance) P-C4' energy: -56.734 flat angles C4'-P-C4' energy: -52.448 flat angles P-C4'-P energy: -33.848 tors. eta vs tors. theta energy: -39.759 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: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -424.815512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.815512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.815512 (E_RNA) where: Base-Base interactions energy: -231.425 where: short stacking energy: -124.718 Base-Backbone interact. energy: -0.019 local terms energy: -193.370842 where: bonds (distance) C4'-P energy: -47.539 bonds (distance) P-C4' energy: -52.386 flat angles C4'-P-C4' energy: -51.932 flat angles P-C4'-P energy: -35.859 tors. eta vs tors. theta energy: -5.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -277.979981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.979981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.979981 (E_RNA) where: Base-Base interactions energy: -113.769 where: short stacking energy: -95.437 Base-Backbone interact. energy: -1.104 local terms energy: -163.106814 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -48.241 flat angles C4'-P-C4' energy: -40.721 flat angles P-C4'-P energy: -19.320 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -271.950361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.950361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.950361 (E_RNA) where: Base-Base interactions energy: -120.275 where: short stacking energy: -77.678 Base-Backbone interact. energy: -1.209 local terms energy: -150.466824 where: bonds (distance) C4'-P energy: -44.702 bonds (distance) P-C4' energy: -49.997 flat angles C4'-P-C4' energy: -49.017 flat angles P-C4'-P energy: -22.956 tors. eta vs tors. theta energy: 16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1034.279765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.279765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.279765 (E_RNA) where: Base-Base interactions energy: -724.284 where: short stacking energy: -308.974 Base-Backbone interact. energy: -1.085 local terms energy: -308.911180 where: bonds (distance) C4'-P energy: -55.450 bonds (distance) P-C4' energy: -53.760 flat angles C4'-P-C4' energy: -66.815 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -87.325 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: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -960.633322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.633322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.633322 (E_RNA) where: Base-Base interactions energy: -673.455 where: short stacking energy: -276.441 Base-Backbone interact. energy: -1.206 local terms energy: -285.973016 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -58.619 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: -71.953 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: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -885.897654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.897654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.897654 (E_RNA) where: Base-Base interactions energy: -604.765 where: short stacking energy: -264.931 Base-Backbone interact. energy: 1.029 local terms energy: -282.160756 where: bonds (distance) C4'-P energy: -51.891 bonds (distance) P-C4' energy: -63.936 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -34.982 tors. eta vs tors. theta energy: -70.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -741.855689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.855689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.855689 (E_RNA) where: Base-Base interactions energy: -464.189 where: short stacking energy: -225.801 Base-Backbone interact. energy: -0.944 local terms energy: -276.723339 where: bonds (distance) C4'-P energy: -52.121 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -64.317 flat angles P-C4'-P energy: -30.830 tors. eta vs tors. theta energy: -72.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -730.799182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.799182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.799182 (E_RNA) where: Base-Base interactions energy: -484.939 where: short stacking energy: -243.009 Base-Backbone interact. energy: -0.873 local terms energy: -244.987125 where: bonds (distance) C4'-P energy: -38.734 bonds (distance) P-C4' energy: -60.199 flat angles C4'-P-C4' energy: -47.690 flat angles P-C4'-P energy: -36.970 tors. eta vs tors. theta energy: -61.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -671.047686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.047686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.047686 (E_RNA) where: Base-Base interactions energy: -421.800 where: short stacking energy: -196.808 Base-Backbone interact. energy: -0.839 local terms energy: -248.408565 where: bonds (distance) C4'-P energy: -49.324 bonds (distance) P-C4' energy: -55.753 flat angles C4'-P-C4' energy: -66.278 flat angles P-C4'-P energy: -26.432 tors. eta vs tors. theta energy: -50.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -604.221038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.221038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.221038 (E_RNA) where: Base-Base interactions energy: -377.237 where: short stacking energy: -168.588 Base-Backbone interact. energy: 0.284 local terms energy: -227.267521 where: bonds (distance) C4'-P energy: -54.868 bonds (distance) P-C4' energy: -56.536 flat angles C4'-P-C4' energy: -52.155 flat angles P-C4'-P energy: -29.702 tors. eta vs tors. theta energy: -34.006 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: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -422.886502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.886502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.886502 (E_RNA) where: Base-Base interactions energy: -232.165 where: short stacking energy: -135.548 Base-Backbone interact. energy: -0.256 local terms energy: -190.464838 where: bonds (distance) C4'-P energy: -42.372 bonds (distance) P-C4' energy: -53.203 flat angles C4'-P-C4' energy: -36.200 flat angles P-C4'-P energy: -27.056 tors. eta vs tors. theta energy: -31.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -345.680575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.680575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.680575 (E_RNA) where: Base-Base interactions energy: -173.573 where: short stacking energy: -116.760 Base-Backbone interact. energy: 2.065 local terms energy: -174.172763 where: bonds (distance) C4'-P energy: -45.811 bonds (distance) P-C4' energy: -40.349 flat angles C4'-P-C4' energy: -38.761 flat angles P-C4'-P energy: -39.854 tors. eta vs tors. theta energy: -9.398 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: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -269.100356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.100356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.100356 (E_RNA) where: Base-Base interactions energy: -134.349 where: short stacking energy: -78.246 Base-Backbone interact. energy: 2.514 local terms energy: -137.266008 where: bonds (distance) C4'-P energy: -40.844 bonds (distance) P-C4' energy: -44.890 flat angles C4'-P-C4' energy: -45.241 flat angles P-C4'-P energy: -14.745 tors. eta vs tors. theta energy: 8.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1021.846839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.846839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.846839 (E_RNA) where: Base-Base interactions energy: -734.009 where: short stacking energy: -303.773 Base-Backbone interact. energy: -0.511 local terms energy: -287.326308 where: bonds (distance) C4'-P energy: -50.944 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -58.047 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: -79.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -970.427954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.427954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.427954 (E_RNA) where: Base-Base interactions energy: -673.826 where: short stacking energy: -300.364 Base-Backbone interact. energy: 4.376 local terms energy: -300.977957 where: bonds (distance) C4'-P energy: -49.311 bonds (distance) P-C4' energy: -65.381 flat angles C4'-P-C4' energy: -66.243 flat angles P-C4'-P energy: -38.811 tors. eta vs tors. theta energy: -81.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -887.982459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.982459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.982459 (E_RNA) where: Base-Base interactions energy: -582.169 where: short stacking energy: -274.268 Base-Backbone interact. energy: -2.368 local terms energy: -303.445678 where: bonds (distance) C4'-P energy: -62.750 bonds (distance) P-C4' energy: -63.551 flat angles C4'-P-C4' energy: -64.147 flat angles P-C4'-P energy: -36.375 tors. eta vs tors. theta energy: -76.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -762.563386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.563386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.563386 (E_RNA) where: Base-Base interactions energy: -477.361 where: short stacking energy: -238.576 Base-Backbone interact. energy: -0.370 local terms energy: -284.832367 where: bonds (distance) C4'-P energy: -65.242 bonds (distance) P-C4' energy: -56.896 flat angles C4'-P-C4' energy: -57.582 flat angles P-C4'-P energy: -44.106 tors. eta vs tors. theta energy: -61.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -726.591769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.591769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.591769 (E_RNA) where: Base-Base interactions energy: -466.191 where: short stacking energy: -213.526 Base-Backbone interact. energy: -0.294 local terms energy: -260.106472 where: bonds (distance) C4'-P energy: -48.765 bonds (distance) P-C4' energy: -63.641 flat angles C4'-P-C4' energy: -60.076 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: -44.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -661.116561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.116561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.116561 (E_RNA) where: Base-Base interactions energy: -407.285 where: short stacking energy: -204.446 Base-Backbone interact. energy: 3.959 local terms energy: -257.791211 where: bonds (distance) C4'-P energy: -54.316 bonds (distance) P-C4' energy: -62.873 flat angles C4'-P-C4' energy: -61.461 flat angles P-C4'-P energy: -29.798 tors. eta vs tors. theta energy: -49.343 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: 25 Temperature: 1.200000 Total energy: -609.800768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.800768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.800768 (E_RNA) where: Base-Base interactions energy: -378.671 where: short stacking energy: -188.101 Base-Backbone interact. energy: 0.958 local terms energy: -232.087199 where: bonds (distance) C4'-P energy: -55.151 bonds (distance) P-C4' energy: -56.658 flat angles C4'-P-C4' energy: -48.384 flat angles P-C4'-P energy: -30.210 tors. eta vs tors. theta energy: -41.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -418.033503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.033503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.033503 (E_RNA) where: Base-Base interactions energy: -231.464 where: short stacking energy: -140.768 Base-Backbone interact. energy: -0.015 local terms energy: -186.553977 where: bonds (distance) C4'-P energy: -44.364 bonds (distance) P-C4' energy: -57.848 flat angles C4'-P-C4' energy: -34.252 flat angles P-C4'-P energy: -32.274 tors. eta vs tors. theta energy: -17.816 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: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -304.861684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.861684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.861684 (E_RNA) where: Base-Base interactions energy: -171.052 where: short stacking energy: -95.825 Base-Backbone interact. energy: -0.620 local terms energy: -133.189651 where: bonds (distance) C4'-P energy: -39.573 bonds (distance) P-C4' energy: -48.693 flat angles C4'-P-C4' energy: -34.743 flat angles P-C4'-P energy: -18.960 tors. eta vs tors. theta energy: 8.779 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: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -249.541833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.541833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.541833 (E_RNA) where: Base-Base interactions energy: -111.943 where: short stacking energy: -80.643 Base-Backbone interact. energy: -1.791 local terms energy: -135.807878 where: bonds (distance) C4'-P energy: -39.808 bonds (distance) P-C4' energy: -43.968 flat angles C4'-P-C4' energy: -39.298 flat angles P-C4'-P energy: -19.966 tors. eta vs tors. theta energy: 7.232 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: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1028.696621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.696621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.696621 (E_RNA) where: Base-Base interactions energy: -724.019 where: short stacking energy: -302.627 Base-Backbone interact. energy: -2.234 local terms energy: -302.443441 where: bonds (distance) C4'-P energy: -55.149 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -66.187 flat angles P-C4'-P energy: -32.899 tors. eta vs tors. theta energy: -82.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -957.863020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.863020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.863020 (E_RNA) where: Base-Base interactions energy: -659.671 where: short stacking energy: -294.515 Base-Backbone interact. energy: -0.300 local terms energy: -297.892600 where: bonds (distance) C4'-P energy: -55.035 bonds (distance) P-C4' energy: -54.591 flat angles C4'-P-C4' energy: -69.598 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -76.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -898.129527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.129527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.129527 (E_RNA) where: Base-Base interactions energy: -612.630 where: short stacking energy: -271.151 Base-Backbone interact. energy: -0.157 local terms energy: -285.342569 where: bonds (distance) C4'-P energy: -49.125 bonds (distance) P-C4' energy: -51.737 flat angles C4'-P-C4' energy: -65.292 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -70.461 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: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -762.134839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.134839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.134839 (E_RNA) where: Base-Base interactions energy: -510.380 where: short stacking energy: -226.225 Base-Backbone interact. energy: -0.769 local terms energy: -250.985908 where: bonds (distance) C4'-P energy: -42.110 bonds (distance) P-C4' energy: -50.945 flat angles C4'-P-C4' energy: -60.437 flat angles P-C4'-P energy: -34.309 tors. eta vs tors. theta energy: -63.185 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: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -700.328908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.328908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.328908 (E_RNA) where: Base-Base interactions energy: -457.931 where: short stacking energy: -193.806 Base-Backbone interact. energy: -0.875 local terms energy: -241.523255 where: bonds (distance) C4'-P energy: -48.933 bonds (distance) P-C4' energy: -58.605 flat angles C4'-P-C4' energy: -58.616 flat angles P-C4'-P energy: -31.650 tors. eta vs tors. theta energy: -43.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -678.952417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.952417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.952417 (E_RNA) where: Base-Base interactions energy: -433.525 where: short stacking energy: -224.398 Base-Backbone interact. energy: 0.218 local terms energy: -245.645792 where: bonds (distance) C4'-P energy: -48.204 bonds (distance) P-C4' energy: -60.973 flat angles C4'-P-C4' energy: -50.804 flat angles P-C4'-P energy: -37.766 tors. eta vs tors. theta energy: -47.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -626.873492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.873492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.873492 (E_RNA) where: Base-Base interactions energy: -392.228 where: short stacking energy: -184.845 Base-Backbone interact. energy: -0.327 local terms energy: -234.319257 where: bonds (distance) C4'-P energy: -47.291 bonds (distance) P-C4' energy: -52.631 flat angles C4'-P-C4' energy: -48.865 flat angles P-C4'-P energy: -35.390 tors. eta vs tors. theta energy: -50.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -492.887252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.887252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.887252 (E_RNA) where: Base-Base interactions energy: -297.822 where: short stacking energy: -170.333 Base-Backbone interact. energy: 5.875 local terms energy: -200.939809 where: bonds (distance) C4'-P energy: -35.936 bonds (distance) P-C4' energy: -44.507 flat angles C4'-P-C4' energy: -56.948 flat angles P-C4'-P energy: -30.930 tors. eta vs tors. theta energy: -32.618 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -271.683660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.683660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.683660 (E_RNA) where: Base-Base interactions energy: -98.863 where: short stacking energy: -89.159 Base-Backbone interact. energy: 0.342 local terms energy: -173.162935 where: bonds (distance) C4'-P energy: -44.792 bonds (distance) P-C4' energy: -61.605 flat angles C4'-P-C4' energy: -40.195 flat angles P-C4'-P energy: -31.416 tors. eta vs tors. theta energy: 4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -250.805741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.805741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.805741 (E_RNA) where: Base-Base interactions energy: -85.371 where: short stacking energy: -70.239 Base-Backbone interact. energy: -0.743 local terms energy: -164.691781 where: bonds (distance) C4'-P energy: -53.556 bonds (distance) P-C4' energy: -38.245 flat angles C4'-P-C4' energy: -48.776 flat angles P-C4'-P energy: -26.803 tors. eta vs tors. theta energy: 2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1029.424669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.424669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.424669 (E_RNA) where: Base-Base interactions energy: -719.083 where: short stacking energy: -303.254 Base-Backbone interact. energy: 0.482 local terms energy: -310.822819 where: bonds (distance) C4'-P energy: -58.941 bonds (distance) P-C4' energy: -59.321 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -83.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -998.537001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.537001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.537001 (E_RNA) where: Base-Base interactions energy: -691.536 where: short stacking energy: -286.975 Base-Backbone interact. energy: -0.669 local terms energy: -306.331895 where: bonds (distance) C4'-P energy: -56.282 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -69.364 flat angles P-C4'-P energy: -50.187 tors. eta vs tors. theta energy: -73.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -890.373811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.373811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.373811 (E_RNA) where: Base-Base interactions energy: -607.717 where: short stacking energy: -278.549 Base-Backbone interact. energy: -0.483 local terms energy: -282.173934 where: bonds (distance) C4'-P energy: -48.100 bonds (distance) P-C4' energy: -52.527 flat angles C4'-P-C4' energy: -64.167 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: -77.134 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: 27 Temperature: 1.050000 Total energy: -743.035706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.035706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.035706 (E_RNA) where: Base-Base interactions energy: -473.420 where: short stacking energy: -215.717 Base-Backbone interact. energy: -1.412 local terms energy: -268.203756 where: bonds (distance) C4'-P energy: -53.382 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -56.597 flat angles P-C4'-P energy: -39.766 tors. eta vs tors. theta energy: -57.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -682.681095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.681095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.681095 (E_RNA) where: Base-Base interactions energy: -440.854 where: short stacking energy: -190.474 Base-Backbone interact. energy: -1.182 local terms energy: -240.644756 where: bonds (distance) C4'-P energy: -58.364 bonds (distance) P-C4' energy: -56.806 flat angles C4'-P-C4' energy: -49.570 flat angles P-C4'-P energy: -31.268 tors. eta vs tors. theta energy: -44.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -626.466346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.466346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.466346 (E_RNA) where: Base-Base interactions energy: -379.815 where: short stacking energy: -183.464 Base-Backbone interact. energy: -0.940 local terms energy: -245.711521 where: bonds (distance) C4'-P energy: -54.293 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -59.933 flat angles P-C4'-P energy: -27.030 tors. eta vs tors. theta energy: -43.511 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: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -683.136123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.136123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.136123 (E_RNA) where: Base-Base interactions energy: -443.391 where: short stacking energy: -220.705 Base-Backbone interact. energy: -2.296 local terms energy: -237.449004 where: bonds (distance) C4'-P energy: -52.283 bonds (distance) P-C4' energy: -44.986 flat angles C4'-P-C4' energy: -53.207 flat angles P-C4'-P energy: -31.823 tors. eta vs tors. theta energy: -55.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -504.377907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.377907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.377907 (E_RNA) where: Base-Base interactions energy: -283.178 where: short stacking energy: -155.443 Base-Backbone interact. energy: 1.090 local terms energy: -222.289859 where: bonds (distance) C4'-P energy: -46.141 bonds (distance) P-C4' energy: -39.173 flat angles C4'-P-C4' energy: -59.209 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -33.940 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: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -265.957156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.957156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.957156 (E_RNA) where: Base-Base interactions energy: -99.829 where: short stacking energy: -83.657 Base-Backbone interact. energy: -1.559 local terms energy: -164.569341 where: bonds (distance) C4'-P energy: -49.604 bonds (distance) P-C4' energy: -52.625 flat angles C4'-P-C4' energy: -33.008 flat angles P-C4'-P energy: -27.361 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -258.861920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.861920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.861920 (E_RNA) where: Base-Base interactions energy: -107.629 where: short stacking energy: -82.715 Base-Backbone interact. energy: 0.633 local terms energy: -151.865452 where: bonds (distance) C4'-P energy: -39.509 bonds (distance) P-C4' energy: -45.292 flat angles C4'-P-C4' energy: -48.972 flat angles P-C4'-P energy: -27.644 tors. eta vs tors. theta energy: 9.553 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: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1020.425032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.425032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.425032 (E_RNA) where: Base-Base interactions energy: -728.551 where: short stacking energy: -291.354 Base-Backbone interact. energy: 0.726 local terms energy: -292.599387 where: bonds (distance) C4'-P energy: -50.378 bonds (distance) P-C4' energy: -66.912 flat angles C4'-P-C4' energy: -57.882 flat angles P-C4'-P energy: -41.328 tors. eta vs tors. theta energy: -76.100 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: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -965.387750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.387750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.387750 (E_RNA) where: Base-Base interactions energy: -669.701 where: short stacking energy: -274.498 Base-Backbone interact. energy: -0.526 local terms energy: -295.160738 where: bonds (distance) C4'-P energy: -55.707 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -65.959 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -76.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -891.059211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.059211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.059211 (E_RNA) where: Base-Base interactions energy: -590.234 where: short stacking energy: -266.076 Base-Backbone interact. energy: -0.941 local terms energy: -299.883525 where: bonds (distance) C4'-P energy: -56.760 bonds (distance) P-C4' energy: -55.614 flat angles C4'-P-C4' energy: -66.021 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -75.042 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: 28 Temperature: 1.050000 Total energy: -757.755470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.755470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.755470 (E_RNA) where: Base-Base interactions energy: -460.775 where: short stacking energy: -233.191 Base-Backbone interact. energy: -1.091 local terms energy: -295.889470 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -64.833 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -66.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -687.474608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.474608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.474608 (E_RNA) where: Base-Base interactions energy: -426.097 where: short stacking energy: -210.535 Base-Backbone interact. energy: 0.309 local terms energy: -261.686757 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -58.329 flat angles C4'-P-C4' energy: -59.758 flat angles P-C4'-P energy: -37.654 tors. eta vs tors. theta energy: -55.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -639.160750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.160750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.160750 (E_RNA) where: Base-Base interactions energy: -393.207 where: short stacking energy: -191.140 Base-Backbone interact. energy: -0.851 local terms energy: -245.103364 where: bonds (distance) C4'-P energy: -54.534 bonds (distance) P-C4' energy: -59.369 flat angles C4'-P-C4' energy: -47.407 flat angles P-C4'-P energy: -38.803 tors. eta vs tors. theta energy: -44.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -664.969776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.969776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.969776 (E_RNA) where: Base-Base interactions energy: -425.565 where: short stacking energy: -204.213 Base-Backbone interact. energy: 1.833 local terms energy: -241.237751 where: bonds (distance) C4'-P energy: -45.014 bonds (distance) P-C4' energy: -56.636 flat angles C4'-P-C4' energy: -50.039 flat angles P-C4'-P energy: -34.283 tors. eta vs tors. theta energy: -55.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -536.604326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.604326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.604326 (E_RNA) where: Base-Base interactions energy: -300.160 where: short stacking energy: -150.357 Base-Backbone interact. energy: -0.082 local terms energy: -236.361411 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -57.332 flat angles P-C4'-P energy: -27.038 tors. eta vs tors. theta energy: -42.370 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: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -296.088147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.088147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.088147 (E_RNA) where: Base-Base interactions energy: -164.303 where: short stacking energy: -80.495 Base-Backbone interact. energy: 3.410 local terms energy: -135.195623 where: bonds (distance) C4'-P energy: -48.770 bonds (distance) P-C4' energy: -34.626 flat angles C4'-P-C4' energy: -50.553 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: 8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -296.378858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.378858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.378858 (E_RNA) where: Base-Base interactions energy: -124.502 where: short stacking energy: -96.233 Base-Backbone interact. energy: -1.396 local terms energy: -170.480667 where: bonds (distance) C4'-P energy: -38.389 bonds (distance) P-C4' energy: -61.574 flat angles C4'-P-C4' energy: -47.544 flat angles P-C4'-P energy: -13.988 tors. eta vs tors. theta energy: -8.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1034.482680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.482680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.482680 (E_RNA) where: Base-Base interactions energy: -747.120 where: short stacking energy: -301.037 Base-Backbone interact. energy: -1.087 local terms energy: -286.275778 where: bonds (distance) C4'-P energy: -53.830 bonds (distance) P-C4' energy: -57.037 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -31.194 tors. eta vs tors. theta energy: -77.085 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: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -946.810801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.810801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.810801 (E_RNA) where: Base-Base interactions energy: -653.042 where: short stacking energy: -252.813 Base-Backbone interact. energy: -0.477 local terms energy: -293.291718 where: bonds (distance) C4'-P energy: -54.013 bonds (distance) P-C4' energy: -63.775 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -41.550 tors. eta vs tors. theta energy: -67.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -893.957989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.957989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.957989 (E_RNA) where: Base-Base interactions energy: -614.000 where: short stacking energy: -279.923 Base-Backbone interact. energy: 1.762 local terms energy: -281.720410 where: bonds (distance) C4'-P energy: -66.827 bonds (distance) P-C4' energy: -59.113 flat angles C4'-P-C4' energy: -57.106 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -66.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -754.021493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.021493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.021493 (E_RNA) where: Base-Base interactions energy: -472.858 where: short stacking energy: -260.759 Base-Backbone interact. energy: -0.394 local terms energy: -280.769200 where: bonds (distance) C4'-P energy: -53.086 bonds (distance) P-C4' energy: -57.543 flat angles C4'-P-C4' energy: -64.186 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: -75.474 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: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -709.815740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.815740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.815740 (E_RNA) where: Base-Base interactions energy: -454.498 where: short stacking energy: -220.127 Base-Backbone interact. energy: 1.097 local terms energy: -256.414867 where: bonds (distance) C4'-P energy: -56.084 bonds (distance) P-C4' energy: -47.270 flat angles C4'-P-C4' energy: -62.310 flat angles P-C4'-P energy: -42.267 tors. eta vs tors. theta energy: -48.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -716.295611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.295611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.295611 (E_RNA) where: Base-Base interactions energy: -458.976 where: short stacking energy: -215.036 Base-Backbone interact. energy: -1.403 local terms energy: -255.916908 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -56.972 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -30.653 tors. eta vs tors. theta energy: -58.007 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: 7, replica: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -610.693049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.693049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.693049 (E_RNA) where: Base-Base interactions energy: -412.007 where: short stacking energy: -189.997 Base-Backbone interact. energy: 0.050 local terms energy: -198.736313 where: bonds (distance) C4'-P energy: -51.117 bonds (distance) P-C4' energy: -36.005 flat angles C4'-P-C4' energy: -43.805 flat angles P-C4'-P energy: -33.442 tors. eta vs tors. theta energy: -34.367 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -581.675090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.675090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.675090 (E_RNA) where: Base-Base interactions energy: -355.381 where: short stacking energy: -164.070 Base-Backbone interact. energy: -0.039 local terms energy: -226.255948 where: bonds (distance) C4'-P energy: -54.712 bonds (distance) P-C4' energy: -46.565 flat angles C4'-P-C4' energy: -55.682 flat angles P-C4'-P energy: -30.237 tors. eta vs tors. theta energy: -39.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -361.168280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.168280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.168280 (E_RNA) where: Base-Base interactions energy: -179.552 where: short stacking energy: -112.866 Base-Backbone interact. energy: -0.029 local terms energy: -181.586937 where: bonds (distance) C4'-P energy: -53.745 bonds (distance) P-C4' energy: -53.860 flat angles C4'-P-C4' energy: -48.665 flat angles P-C4'-P energy: -20.860 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -260.145357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.145357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.145357 (E_RNA) where: Base-Base interactions energy: -114.104 where: short stacking energy: -89.475 Base-Backbone interact. energy: 4.369 local terms energy: -150.410061 where: bonds (distance) C4'-P energy: -36.674 bonds (distance) P-C4' energy: -49.145 flat angles C4'-P-C4' energy: -43.094 flat angles P-C4'-P energy: -17.728 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1017.015933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.015933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.015933 (E_RNA) where: Base-Base interactions energy: -723.413 where: short stacking energy: -294.636 Base-Backbone interact. energy: -0.869 local terms energy: -292.734624 where: bonds (distance) C4'-P energy: -53.585 bonds (distance) P-C4' energy: -55.738 flat angles C4'-P-C4' energy: -64.769 flat angles P-C4'-P energy: -36.607 tors. eta vs tors. theta energy: -82.036 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: 30 Temperature: 0.950000 Total energy: -937.443187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.443187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.443187 (E_RNA) where: Base-Base interactions energy: -659.198 where: short stacking energy: -243.774 Base-Backbone interact. energy: -2.652 local terms energy: -275.592925 where: bonds (distance) C4'-P energy: -55.261 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -54.705 flat angles P-C4'-P energy: -37.769 tors. eta vs tors. theta energy: -67.609 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: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -896.645831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.645831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.645831 (E_RNA) where: Base-Base interactions energy: -610.360 where: short stacking energy: -274.602 Base-Backbone interact. energy: -0.883 local terms energy: -285.402906 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -50.556 flat angles C4'-P-C4' energy: -66.388 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -79.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -755.997473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.997473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.997473 (E_RNA) where: Base-Base interactions energy: -499.516 where: short stacking energy: -211.638 Base-Backbone interact. energy: -0.760 local terms energy: -255.721275 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -51.819 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -27.011 tors. eta vs tors. theta energy: -54.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -807.875049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.875049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.875049 (E_RNA) where: Base-Base interactions energy: -546.037 where: short stacking energy: -241.057 Base-Backbone interact. energy: -1.040 local terms energy: -260.798828 where: bonds (distance) C4'-P energy: -52.538 bonds (distance) P-C4' energy: -58.647 flat angles C4'-P-C4' energy: -57.282 flat angles P-C4'-P energy: -28.842 tors. eta vs tors. theta energy: -63.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -676.962735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.962735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.962735 (E_RNA) where: Base-Base interactions energy: -449.497 where: short stacking energy: -215.028 Base-Backbone interact. energy: -0.621 local terms energy: -226.844651 where: bonds (distance) C4'-P energy: -50.613 bonds (distance) P-C4' energy: -49.822 flat angles C4'-P-C4' energy: -47.081 flat angles P-C4'-P energy: -26.184 tors. eta vs tors. theta energy: -53.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -613.618885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.618885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.618885 (E_RNA) where: Base-Base interactions energy: -386.311 where: short stacking energy: -184.743 Base-Backbone interact. energy: -0.615 local terms energy: -226.692585 where: bonds (distance) C4'-P energy: -45.985 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -57.629 flat angles P-C4'-P energy: -30.343 tors. eta vs tors. theta energy: -32.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -565.938267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.938267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.938267 (E_RNA) where: Base-Base interactions energy: -341.550 where: short stacking energy: -186.487 Base-Backbone interact. energy: -1.154 local terms energy: -223.234405 where: bonds (distance) C4'-P energy: -52.906 bonds (distance) P-C4' energy: -51.067 flat angles C4'-P-C4' energy: -51.922 flat angles P-C4'-P energy: -29.766 tors. eta vs tors. theta energy: -37.573 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -314.604352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.604352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.604352 (E_RNA) where: Base-Base interactions energy: -152.812 where: short stacking energy: -84.649 Base-Backbone interact. energy: 1.151 local terms energy: -162.944072 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -45.153 flat angles C4'-P-C4' energy: -41.813 flat angles P-C4'-P energy: -30.746 tors. eta vs tors. theta energy: 10.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -295.432610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.432610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.432610 (E_RNA) where: Base-Base interactions energy: -133.753 where: short stacking energy: -95.090 Base-Backbone interact. energy: 0.156 local terms energy: -161.835816 where: bonds (distance) C4'-P energy: -54.099 bonds (distance) P-C4' energy: -46.643 flat angles C4'-P-C4' energy: -41.590 flat angles P-C4'-P energy: -22.744 tors. eta vs tors. theta energy: 3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1017.947156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.947156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.947156 (E_RNA) where: Base-Base interactions energy: -717.197 where: short stacking energy: -305.906 Base-Backbone interact. energy: -1.130 local terms energy: -299.620113 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -59.095 flat angles P-C4'-P energy: -39.250 tors. eta vs tors. theta energy: -79.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -945.584211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.584211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.584211 (E_RNA) where: Base-Base interactions energy: -664.467 where: short stacking energy: -279.263 Base-Backbone interact. energy: 0.268 local terms energy: -281.385610 where: bonds (distance) C4'-P energy: -51.121 bonds (distance) P-C4' energy: -57.139 flat angles C4'-P-C4' energy: -66.942 flat angles P-C4'-P energy: -35.732 tors. eta vs tors. theta energy: -70.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -894.607427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.607427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.607427 (E_RNA) where: Base-Base interactions energy: -601.113 where: short stacking energy: -276.654 Base-Backbone interact. energy: -1.085 local terms energy: -292.409753 where: bonds (distance) C4'-P energy: -51.185 bonds (distance) P-C4' energy: -51.986 flat angles C4'-P-C4' energy: -71.468 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -76.520 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: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -819.528312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.528312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.528312 (E_RNA) where: Base-Base interactions energy: -542.593 where: short stacking energy: -264.695 Base-Backbone interact. energy: 0.991 local terms energy: -277.925760 where: bonds (distance) C4'-P energy: -49.878 bonds (distance) P-C4' energy: -58.189 flat angles C4'-P-C4' energy: -59.637 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: -73.435 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: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -732.933101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.933101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.933101 (E_RNA) where: Base-Base interactions energy: -475.590 where: short stacking energy: -223.665 Base-Backbone interact. energy: -1.064 local terms energy: -256.279138 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -53.649 flat angles P-C4'-P energy: -24.544 tors. eta vs tors. theta energy: -58.632 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: 6, replica: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -647.581139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.581139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.581139 (E_RNA) where: Base-Base interactions energy: -398.620 where: short stacking energy: -203.730 Base-Backbone interact. energy: -2.390 local terms energy: -246.571024 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -44.761 flat angles C4'-P-C4' energy: -62.999 flat angles P-C4'-P energy: -31.507 tors. eta vs tors. theta energy: -49.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -607.351363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.351363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.351363 (E_RNA) where: Base-Base interactions energy: -392.876 where: short stacking energy: -190.869 Base-Backbone interact. energy: 3.142 local terms energy: -217.617792 where: bonds (distance) C4'-P energy: -54.044 bonds (distance) P-C4' energy: -53.351 flat angles C4'-P-C4' energy: -50.092 flat angles P-C4'-P energy: -23.465 tors. eta vs tors. theta energy: -36.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -558.463484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.463484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.463484 (E_RNA) where: Base-Base interactions energy: -354.733 where: short stacking energy: -182.284 Base-Backbone interact. energy: -0.299 local terms energy: -203.431234 where: bonds (distance) C4'-P energy: -56.510 bonds (distance) P-C4' energy: -36.998 flat angles C4'-P-C4' energy: -46.711 flat angles P-C4'-P energy: -25.815 tors. eta vs tors. theta energy: -37.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -334.317358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.317358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.317358 (E_RNA) where: Base-Base interactions energy: -139.074 where: short stacking energy: -102.627 Base-Backbone interact. energy: -0.433 local terms energy: -194.810263 where: bonds (distance) C4'-P energy: -46.174 bonds (distance) P-C4' energy: -56.346 flat angles C4'-P-C4' energy: -50.776 flat angles P-C4'-P energy: -37.663 tors. eta vs tors. theta energy: -3.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -309.214481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.214481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.214481 (E_RNA) where: Base-Base interactions energy: -123.588 where: short stacking energy: -85.702 Base-Backbone interact. energy: 0.773 local terms energy: -186.399878 where: bonds (distance) C4'-P energy: -56.462 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -53.631 flat angles P-C4'-P energy: -17.620 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1014.657315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.657315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.657315 (E_RNA) where: Base-Base interactions energy: -715.315 where: short stacking energy: -285.605 Base-Backbone interact. energy: 0.291 local terms energy: -299.633756 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -59.881 flat angles C4'-P-C4' energy: -58.498 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -75.950 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: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -925.622324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.622324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.622324 (E_RNA) where: Base-Base interactions energy: -640.438 where: short stacking energy: -254.473 Base-Backbone interact. energy: -0.926 local terms energy: -284.258378 where: bonds (distance) C4'-P energy: -53.345 bonds (distance) P-C4' energy: -50.294 flat angles C4'-P-C4' energy: -64.748 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -71.791 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: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -879.999225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.999225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.999225 (E_RNA) where: Base-Base interactions energy: -603.605 where: short stacking energy: -267.562 Base-Backbone interact. energy: -1.544 local terms energy: -274.849921 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -63.635 flat angles P-C4'-P energy: -31.573 tors. eta vs tors. theta energy: -64.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -814.411855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.411855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.411855 (E_RNA) where: Base-Base interactions energy: -537.438 where: short stacking energy: -241.768 Base-Backbone interact. energy: -0.355 local terms energy: -276.618631 where: bonds (distance) C4'-P energy: -49.447 bonds (distance) P-C4' energy: -50.642 flat angles C4'-P-C4' energy: -63.359 flat angles P-C4'-P energy: -44.520 tors. eta vs tors. theta energy: -68.650 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: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -747.604181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.604181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.604181 (E_RNA) where: Base-Base interactions energy: -493.540 where: short stacking energy: -226.810 Base-Backbone interact. energy: -0.614 local terms energy: -253.450392 where: bonds (distance) C4'-P energy: -52.259 bonds (distance) P-C4' energy: -53.084 flat angles C4'-P-C4' energy: -50.642 flat angles P-C4'-P energy: -30.904 tors. eta vs tors. theta energy: -66.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -664.998603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.998603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.998603 (E_RNA) where: Base-Base interactions energy: -426.057 where: short stacking energy: -201.795 Base-Backbone interact. energy: 1.118 local terms energy: -240.060267 where: bonds (distance) C4'-P energy: -46.178 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -55.806 flat angles P-C4'-P energy: -39.950 tors. eta vs tors. theta energy: -42.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -613.881119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.881119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.881119 (E_RNA) where: Base-Base interactions energy: -389.744 where: short stacking energy: -198.877 Base-Backbone interact. energy: -0.492 local terms energy: -223.645291 where: bonds (distance) C4'-P energy: -42.309 bonds (distance) P-C4' energy: -53.575 flat angles C4'-P-C4' energy: -57.932 flat angles P-C4'-P energy: -23.321 tors. eta vs tors. theta energy: -46.509 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: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -540.440979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.440979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.440979 (E_RNA) where: Base-Base interactions energy: -324.720 where: short stacking energy: -163.264 Base-Backbone interact. energy: -2.621 local terms energy: -213.099157 where: bonds (distance) C4'-P energy: -50.652 bonds (distance) P-C4' energy: -55.074 flat angles C4'-P-C4' energy: -48.208 flat angles P-C4'-P energy: -27.104 tors. eta vs tors. theta energy: -32.061 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: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -319.290131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.290131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.290131 (E_RNA) where: Base-Base interactions energy: -155.682 where: short stacking energy: -82.488 Base-Backbone interact. energy: 1.570 local terms energy: -165.178665 where: bonds (distance) C4'-P energy: -42.415 bonds (distance) P-C4' energy: -51.630 flat angles C4'-P-C4' energy: -52.404 flat angles P-C4'-P energy: -26.959 tors. eta vs tors. theta energy: 8.229 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: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -293.405993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.405993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.405993 (E_RNA) where: Base-Base interactions energy: -150.113 where: short stacking energy: -86.660 Base-Backbone interact. energy: 1.844 local terms energy: -145.137336 where: bonds (distance) C4'-P energy: -38.103 bonds (distance) P-C4' energy: -48.538 flat angles C4'-P-C4' energy: -42.929 flat angles P-C4'-P energy: -26.177 tors. eta vs tors. theta energy: 10.610 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1025.315379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.315379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.315379 (E_RNA) where: Base-Base interactions energy: -723.117 where: short stacking energy: -309.358 Base-Backbone interact. energy: 0.261 local terms energy: -302.458653 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -59.514 flat angles C4'-P-C4' energy: -56.567 flat angles P-C4'-P energy: -44.706 tors. eta vs tors. theta energy: -82.136 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -911.333879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.333879 (E_RNA) where: Base-Base interactions energy: -612.817 where: short stacking energy: -273.924 Base-Backbone interact. energy: -0.118 local terms energy: -298.398942 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -60.186 flat angles C4'-P-C4' energy: -61.180 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -82.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -903.675425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.675425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.675425 (E_RNA) where: Base-Base interactions energy: -621.016 where: short stacking energy: -254.448 Base-Backbone interact. energy: -0.466 local terms energy: -282.193744 where: bonds (distance) C4'-P energy: -53.935 bonds (distance) P-C4' energy: -63.313 flat angles C4'-P-C4' energy: -58.250 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -69.756 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: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -787.743668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.743668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.743668 (E_RNA) where: Base-Base interactions energy: -517.662 where: short stacking energy: -243.468 Base-Backbone interact. energy: -1.043 local terms energy: -269.038409 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -53.175 flat angles C4'-P-C4' energy: -61.654 flat angles P-C4'-P energy: -29.438 tors. eta vs tors. theta energy: -69.113 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: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -809.768542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.768542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.768542 (E_RNA) where: Base-Base interactions energy: -541.395 where: short stacking energy: -266.134 Base-Backbone interact. energy: -0.057 local terms energy: -268.316610 where: bonds (distance) C4'-P energy: -51.125 bonds (distance) P-C4' energy: -53.920 flat angles C4'-P-C4' energy: -58.939 flat angles P-C4'-P energy: -39.158 tors. eta vs tors. theta energy: -65.174 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: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -653.335826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.335826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.335826 (E_RNA) where: Base-Base interactions energy: -418.029 where: short stacking energy: -190.337 Base-Backbone interact. energy: -1.394 local terms energy: -233.912237 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -56.644 flat angles C4'-P-C4' energy: -39.114 flat angles P-C4'-P energy: -30.603 tors. eta vs tors. theta energy: -45.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -603.076693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.076693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.076693 (E_RNA) where: Base-Base interactions energy: -387.803 where: short stacking energy: -156.844 Base-Backbone interact. energy: -0.571 local terms energy: -214.702654 where: bonds (distance) C4'-P energy: -43.842 bonds (distance) P-C4' energy: -52.073 flat angles C4'-P-C4' energy: -44.629 flat angles P-C4'-P energy: -41.907 tors. eta vs tors. theta energy: -32.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -542.901884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.901884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.901884 (E_RNA) where: Base-Base interactions energy: -338.023 where: short stacking energy: -164.457 Base-Backbone interact. energy: -0.786 local terms energy: -204.093294 where: bonds (distance) C4'-P energy: -50.375 bonds (distance) P-C4' energy: -51.796 flat angles C4'-P-C4' energy: -51.104 flat angles P-C4'-P energy: -18.400 tors. eta vs tors. theta energy: -32.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -319.059505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.059505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.059505 (E_RNA) where: Base-Base interactions energy: -152.222 where: short stacking energy: -96.768 Base-Backbone interact. energy: 3.269 local terms energy: -170.106915 where: bonds (distance) C4'-P energy: -37.891 bonds (distance) P-C4' energy: -63.811 flat angles C4'-P-C4' energy: -42.957 flat angles P-C4'-P energy: -25.873 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -338.983634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.983634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.983634 (E_RNA) where: Base-Base interactions energy: -178.317 where: short stacking energy: -107.862 Base-Backbone interact. energy: -0.847 local terms energy: -159.820563 where: bonds (distance) C4'-P energy: -40.950 bonds (distance) P-C4' energy: -46.951 flat angles C4'-P-C4' energy: -42.387 flat angles P-C4'-P energy: -25.749 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1060.060733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.060733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.060733 (E_RNA) where: Base-Base interactions energy: -753.890 where: short stacking energy: -310.371 Base-Backbone interact. energy: -1.014 local terms energy: -305.156244 where: bonds (distance) C4'-P energy: -58.723 bonds (distance) P-C4' energy: -59.100 flat angles C4'-P-C4' energy: -65.518 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: -85.091 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -918.030778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.030778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.030778 (E_RNA) where: Base-Base interactions energy: -620.545 where: short stacking energy: -288.937 Base-Backbone interact. energy: 1.411 local terms energy: -298.896555 where: bonds (distance) C4'-P energy: -53.199 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -61.500 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -78.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -897.119239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.119239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.119239 (E_RNA) where: Base-Base interactions energy: -623.707 where: short stacking energy: -271.445 Base-Backbone interact. energy: 8.122 local terms energy: -281.533394 where: bonds (distance) C4'-P energy: -50.690 bonds (distance) P-C4' energy: -56.193 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -35.879 tors. eta vs tors. theta energy: -72.747 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: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -765.687671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.687671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.687671 (E_RNA) where: Base-Base interactions energy: -498.006 where: short stacking energy: -216.156 Base-Backbone interact. energy: -0.423 local terms energy: -267.258635 where: bonds (distance) C4'-P energy: -48.961 bonds (distance) P-C4' energy: -57.403 flat angles C4'-P-C4' energy: -61.814 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -59.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -841.382154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.382154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.382154 (E_RNA) where: Base-Base interactions energy: -556.545 where: short stacking energy: -250.439 Base-Backbone interact. energy: -0.726 local terms energy: -284.110982 where: bonds (distance) C4'-P energy: -62.423 bonds (distance) P-C4' energy: -57.777 flat angles C4'-P-C4' energy: -56.037 flat angles P-C4'-P energy: -37.523 tors. eta vs tors. theta energy: -70.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -672.138108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.138108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.138108 (E_RNA) where: Base-Base interactions energy: -433.469 where: short stacking energy: -188.697 Base-Backbone interact. energy: -2.569 local terms energy: -236.100066 where: bonds (distance) C4'-P energy: -50.230 bonds (distance) P-C4' energy: -54.582 flat angles C4'-P-C4' energy: -53.672 flat angles P-C4'-P energy: -33.041 tors. eta vs tors. theta energy: -44.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -570.817362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.817362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.817362 (E_RNA) where: Base-Base interactions energy: -335.778 where: short stacking energy: -165.259 Base-Backbone interact. energy: -0.634 local terms energy: -234.405358 where: bonds (distance) C4'-P energy: -54.837 bonds (distance) P-C4' energy: -61.102 flat angles C4'-P-C4' energy: -47.571 flat angles P-C4'-P energy: -26.703 tors. eta vs tors. theta energy: -44.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -544.973687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.973687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.973687 (E_RNA) where: Base-Base interactions energy: -338.774 where: short stacking energy: -159.815 Base-Backbone interact. energy: -1.042 local terms energy: -205.157068 where: bonds (distance) C4'-P energy: -43.147 bonds (distance) P-C4' energy: -47.683 flat angles C4'-P-C4' energy: -53.234 flat angles P-C4'-P energy: -30.573 tors. eta vs tors. theta energy: -30.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -364.841057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.841057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.841057 (E_RNA) where: Base-Base interactions energy: -201.131 where: short stacking energy: -116.856 Base-Backbone interact. energy: 5.070 local terms energy: -168.779601 where: bonds (distance) C4'-P energy: -34.304 bonds (distance) P-C4' energy: -53.097 flat angles C4'-P-C4' energy: -46.740 flat angles P-C4'-P energy: -28.473 tors. eta vs tors. theta energy: -6.165 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: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -315.484573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.484573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.484573 (E_RNA) where: Base-Base interactions energy: -143.876 where: short stacking energy: -91.012 Base-Backbone interact. energy: -1.554 local terms energy: -170.055211 where: bonds (distance) C4'-P energy: -46.404 bonds (distance) P-C4' energy: -52.350 flat angles C4'-P-C4' energy: -46.062 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: 9.021 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: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1021.053409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.053409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.053409 (E_RNA) where: Base-Base interactions energy: -731.247 where: short stacking energy: -298.484 Base-Backbone interact. energy: -1.152 local terms energy: -288.654312 where: bonds (distance) C4'-P energy: -50.317 bonds (distance) P-C4' energy: -59.013 flat angles C4'-P-C4' energy: -62.754 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: -77.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -959.058717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.058717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.058717 (E_RNA) where: Base-Base interactions energy: -658.432 where: short stacking energy: -286.142 Base-Backbone interact. energy: 0.071 local terms energy: -300.697008 where: bonds (distance) C4'-P energy: -54.892 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -61.564 flat angles P-C4'-P energy: -47.676 tors. eta vs tors. theta energy: -73.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -898.205804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.205804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.205804 (E_RNA) where: Base-Base interactions energy: -617.831 where: short stacking energy: -284.857 Base-Backbone interact. energy: -2.376 local terms energy: -277.998849 where: bonds (distance) C4'-P energy: -51.358 bonds (distance) P-C4' energy: -53.460 flat angles C4'-P-C4' energy: -59.454 flat angles P-C4'-P energy: -38.283 tors. eta vs tors. theta energy: -75.445 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: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -863.065861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.065861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.065861 (E_RNA) where: Base-Base interactions energy: -570.714 where: short stacking energy: -267.014 Base-Backbone interact. energy: -2.103 local terms energy: -290.249624 where: bonds (distance) C4'-P energy: -50.390 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -63.035 flat angles P-C4'-P energy: -33.086 tors. eta vs tors. theta energy: -79.189 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: 35 Temperature: 1.100000 Total energy: -722.069265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.069265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.069265 (E_RNA) where: Base-Base interactions energy: -486.056 where: short stacking energy: -215.604 Base-Backbone interact. energy: -0.978 local terms energy: -235.035130 where: bonds (distance) C4'-P energy: -55.615 bonds (distance) P-C4' energy: -49.884 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -18.576 tors. eta vs tors. theta energy: -51.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -672.809725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.809725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.809725 (E_RNA) where: Base-Base interactions energy: -429.599 where: short stacking energy: -202.687 Base-Backbone interact. energy: -1.192 local terms energy: -242.018824 where: bonds (distance) C4'-P energy: -48.863 bonds (distance) P-C4' energy: -44.626 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -47.572 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: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -545.900351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.900351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.900351 (E_RNA) where: Base-Base interactions energy: -342.437 where: short stacking energy: -176.400 Base-Backbone interact. energy: -0.602 local terms energy: -202.861421 where: bonds (distance) C4'-P energy: -38.900 bonds (distance) P-C4' energy: -42.171 flat angles C4'-P-C4' energy: -51.992 flat angles P-C4'-P energy: -37.109 tors. eta vs tors. theta energy: -32.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -565.005895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.005895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.005895 (E_RNA) where: Base-Base interactions energy: -367.647 where: short stacking energy: -191.145 Base-Backbone interact. energy: -0.673 local terms energy: -196.685840 where: bonds (distance) C4'-P energy: -44.072 bonds (distance) P-C4' energy: -41.526 flat angles C4'-P-C4' energy: -43.983 flat angles P-C4'-P energy: -28.935 tors. eta vs tors. theta energy: -38.171 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: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -388.818090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.818090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.818090 (E_RNA) where: Base-Base interactions energy: -206.378 where: short stacking energy: -105.356 Base-Backbone interact. energy: 0.009 local terms energy: -182.449067 where: bonds (distance) C4'-P energy: -53.924 bonds (distance) P-C4' energy: -55.817 flat angles C4'-P-C4' energy: -40.118 flat angles P-C4'-P energy: -26.053 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -276.103200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.103200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.103200 (E_RNA) where: Base-Base interactions energy: -121.021 where: short stacking energy: -71.257 Base-Backbone interact. energy: 0.124 local terms energy: -155.206467 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -53.040 flat angles C4'-P-C4' energy: -39.166 flat angles P-C4'-P energy: -19.254 tors. eta vs tors. theta energy: 7.436 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: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1032.912218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.912218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.912218 (E_RNA) where: Base-Base interactions energy: -713.838 where: short stacking energy: -292.675 Base-Backbone interact. energy: -3.272 local terms energy: -315.802406 where: bonds (distance) C4'-P energy: -55.317 bonds (distance) P-C4' energy: -64.844 flat angles C4'-P-C4' energy: -67.637 flat angles P-C4'-P energy: -45.264 tors. eta vs tors. theta energy: -82.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -932.748207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.748207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.748207 (E_RNA) where: Base-Base interactions energy: -645.201 where: short stacking energy: -265.659 Base-Backbone interact. energy: -0.825 local terms energy: -286.722777 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -57.863 flat angles C4'-P-C4' energy: -64.191 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -71.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -884.968721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.968721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.968721 (E_RNA) where: Base-Base interactions energy: -591.404 where: short stacking energy: -278.179 Base-Backbone interact. energy: -0.683 local terms energy: -292.881662 where: bonds (distance) C4'-P energy: -56.738 bonds (distance) P-C4' energy: -55.489 flat angles C4'-P-C4' energy: -67.394 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -66.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -830.608477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.608477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.608477 (E_RNA) where: Base-Base interactions energy: -545.755 where: short stacking energy: -265.895 Base-Backbone interact. energy: -1.421 local terms energy: -283.432458 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -57.168 flat angles C4'-P-C4' energy: -60.822 flat angles P-C4'-P energy: -37.680 tors. eta vs tors. theta energy: -71.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -708.198938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.198938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.198938 (E_RNA) where: Base-Base interactions energy: -454.440 where: short stacking energy: -199.067 Base-Backbone interact. energy: -1.360 local terms energy: -252.399077 where: bonds (distance) C4'-P energy: -57.453 bonds (distance) P-C4' energy: -55.326 flat angles C4'-P-C4' energy: -62.978 flat angles P-C4'-P energy: -33.066 tors. eta vs tors. theta energy: -43.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -704.721360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.721360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.721360 (E_RNA) where: Base-Base interactions energy: -459.942 where: short stacking energy: -205.907 Base-Backbone interact. energy: -0.421 local terms energy: -244.357733 where: bonds (distance) C4'-P energy: -46.669 bonds (distance) P-C4' energy: -50.961 flat angles C4'-P-C4' energy: -60.832 flat angles P-C4'-P energy: -26.478 tors. eta vs tors. theta energy: -59.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -604.829974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.829974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.829974 (E_RNA) where: Base-Base interactions energy: -362.152 where: short stacking energy: -171.103 Base-Backbone interact. energy: -0.416 local terms energy: -242.262321 where: bonds (distance) C4'-P energy: -48.968 bonds (distance) P-C4' energy: -56.126 flat angles C4'-P-C4' energy: -58.196 flat angles P-C4'-P energy: -28.454 tors. eta vs tors. theta energy: -50.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -544.821390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.821390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.821390 (E_RNA) where: Base-Base interactions energy: -332.247 where: short stacking energy: -173.118 Base-Backbone interact. energy: 5.071 local terms energy: -217.646136 where: bonds (distance) C4'-P energy: -42.530 bonds (distance) P-C4' energy: -45.221 flat angles C4'-P-C4' energy: -61.120 flat angles P-C4'-P energy: -33.338 tors. eta vs tors. theta energy: -35.437 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -391.187738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.187738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.187738 (E_RNA) where: Base-Base interactions energy: -208.768 where: short stacking energy: -127.161 Base-Backbone interact. energy: -1.186 local terms energy: -181.233717 where: bonds (distance) C4'-P energy: -52.698 bonds (distance) P-C4' energy: -32.673 flat angles C4'-P-C4' energy: -48.965 flat angles P-C4'-P energy: -35.890 tors. eta vs tors. theta energy: -11.009 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -277.553916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.553916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.553916 (E_RNA) where: Base-Base interactions energy: -114.937 where: short stacking energy: -82.895 Base-Backbone interact. energy: -2.332 local terms energy: -160.284624 where: bonds (distance) C4'-P energy: -52.128 bonds (distance) P-C4' energy: -49.814 flat angles C4'-P-C4' energy: -41.864 flat angles P-C4'-P energy: -24.399 tors. eta vs tors. theta energy: 7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1024.180042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.180042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.180042 (E_RNA) where: Base-Base interactions energy: -712.672 where: short stacking energy: -300.953 Base-Backbone interact. energy: -2.024 local terms energy: -309.483182 where: bonds (distance) C4'-P energy: -59.293 bonds (distance) P-C4' energy: -58.250 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -84.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -955.468578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.468578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.468578 (E_RNA) where: Base-Base interactions energy: -646.463 where: short stacking energy: -274.391 Base-Backbone interact. energy: 1.974 local terms energy: -310.979597 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -60.481 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -80.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -927.704686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.704686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.704686 (E_RNA) where: Base-Base interactions energy: -653.931 where: short stacking energy: -301.025 Base-Backbone interact. energy: -0.650 local terms energy: -273.123369 where: bonds (distance) C4'-P energy: -56.715 bonds (distance) P-C4' energy: -52.611 flat angles C4'-P-C4' energy: -59.488 flat angles P-C4'-P energy: -24.666 tors. eta vs tors. theta energy: -79.643 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: 37 Temperature: 1.050000 Total energy: -835.654228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.654228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.654228 (E_RNA) where: Base-Base interactions energy: -559.034 where: short stacking energy: -247.239 Base-Backbone interact. energy: -2.509 local terms energy: -274.111456 where: bonds (distance) C4'-P energy: -55.331 bonds (distance) P-C4' energy: -51.970 flat angles C4'-P-C4' energy: -60.828 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: -66.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -739.204799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.204799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.204799 (E_RNA) where: Base-Base interactions energy: -493.247 where: short stacking energy: -249.848 Base-Backbone interact. energy: -0.493 local terms energy: -245.464918 where: bonds (distance) C4'-P energy: -48.110 bonds (distance) P-C4' energy: -53.702 flat angles C4'-P-C4' energy: -53.514 flat angles P-C4'-P energy: -34.249 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: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -721.393787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.393787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.393787 (E_RNA) where: Base-Base interactions energy: -450.806 where: short stacking energy: -210.630 Base-Backbone interact. energy: -0.686 local terms energy: -269.901498 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -39.429 tors. eta vs tors. theta energy: -57.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -587.108110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.108110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.108110 (E_RNA) where: Base-Base interactions energy: -373.060 where: short stacking energy: -180.406 Base-Backbone interact. energy: 0.885 local terms energy: -214.933107 where: bonds (distance) C4'-P energy: -50.551 bonds (distance) P-C4' energy: -45.267 flat angles C4'-P-C4' energy: -53.344 flat angles P-C4'-P energy: -37.068 tors. eta vs tors. theta energy: -28.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -527.213802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.213802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.213802 (E_RNA) where: Base-Base interactions energy: -307.391 where: short stacking energy: -159.851 Base-Backbone interact. energy: -1.245 local terms energy: -218.577498 where: bonds (distance) C4'-P energy: -53.142 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -44.771 flat angles P-C4'-P energy: -32.213 tors. eta vs tors. theta energy: -31.306 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: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -371.531267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.531267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.531267 (E_RNA) where: Base-Base interactions energy: -184.875 where: short stacking energy: -102.834 Base-Backbone interact. energy: -0.800 local terms energy: -185.855433 where: bonds (distance) C4'-P energy: -45.556 bonds (distance) P-C4' energy: -58.543 flat angles C4'-P-C4' energy: -45.904 flat angles P-C4'-P energy: -29.433 tors. eta vs tors. theta energy: -6.419 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: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -271.166862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.166862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.166862 (E_RNA) where: Base-Base interactions energy: -123.299 where: short stacking energy: -100.541 Base-Backbone interact. energy: 0.590 local terms energy: -148.457671 where: bonds (distance) C4'-P energy: -41.679 bonds (distance) P-C4' energy: -44.166 flat angles C4'-P-C4' energy: -41.399 flat angles P-C4'-P energy: -16.753 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1036.579847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.579847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.579847 (E_RNA) where: Base-Base interactions energy: -723.518 where: short stacking energy: -299.795 Base-Backbone interact. energy: -1.370 local terms energy: -311.691569 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -62.533 flat angles C4'-P-C4' energy: -65.556 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -86.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -933.739878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.739878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.739878 (E_RNA) where: Base-Base interactions energy: -647.557 where: short stacking energy: -268.639 Base-Backbone interact. energy: 0.912 local terms energy: -287.094709 where: bonds (distance) C4'-P energy: -56.162 bonds (distance) P-C4' energy: -54.815 flat angles C4'-P-C4' energy: -67.498 flat angles P-C4'-P energy: -35.151 tors. eta vs tors. theta energy: -73.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -897.221071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.221071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.221071 (E_RNA) where: Base-Base interactions energy: -615.256 where: short stacking energy: -267.714 Base-Backbone interact. energy: -0.903 local terms energy: -281.062521 where: bonds (distance) C4'-P energy: -47.326 bonds (distance) P-C4' energy: -59.419 flat angles C4'-P-C4' energy: -64.824 flat angles P-C4'-P energy: -29.730 tors. eta vs tors. theta energy: -79.763 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: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -863.466872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.466872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.466872 (E_RNA) where: Base-Base interactions energy: -580.951 where: short stacking energy: -274.829 Base-Backbone interact. energy: 1.566 local terms energy: -284.081761 where: bonds (distance) C4'-P energy: -52.615 bonds (distance) P-C4' energy: -56.393 flat angles C4'-P-C4' energy: -63.409 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -69.304 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: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -724.597793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.597793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.597793 (E_RNA) where: Base-Base interactions energy: -466.731 where: short stacking energy: -222.660 Base-Backbone interact. energy: -0.368 local terms energy: -257.499135 where: bonds (distance) C4'-P energy: -43.570 bonds (distance) P-C4' energy: -55.395 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -40.400 tors. eta vs tors. theta energy: -59.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -669.226663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.226663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.226663 (E_RNA) where: Base-Base interactions energy: -450.004 where: short stacking energy: -203.235 Base-Backbone interact. energy: 1.482 local terms energy: -220.705047 where: bonds (distance) C4'-P energy: -59.945 bonds (distance) P-C4' energy: -43.173 flat angles C4'-P-C4' energy: -49.990 flat angles P-C4'-P energy: -22.927 tors. eta vs tors. theta energy: -44.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -573.081018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.081018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.081018 (E_RNA) where: Base-Base interactions energy: -366.035 where: short stacking energy: -163.446 Base-Backbone interact. energy: -1.012 local terms energy: -206.034520 where: bonds (distance) C4'-P energy: -53.300 bonds (distance) P-C4' energy: -45.824 flat angles C4'-P-C4' energy: -51.986 flat angles P-C4'-P energy: -27.619 tors. eta vs tors. theta energy: -27.306 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: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -524.768915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.768915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.768915 (E_RNA) where: Base-Base interactions energy: -301.156 where: short stacking energy: -151.843 Base-Backbone interact. energy: -1.448 local terms energy: -222.165288 where: bonds (distance) C4'-P energy: -51.088 bonds (distance) P-C4' energy: -58.905 flat angles C4'-P-C4' energy: -50.966 flat angles P-C4'-P energy: -31.304 tors. eta vs tors. theta energy: -29.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -366.983072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.983072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.983072 (E_RNA) where: Base-Base interactions energy: -175.041 where: short stacking energy: -123.981 Base-Backbone interact. energy: 1.582 local terms energy: -193.524179 where: bonds (distance) C4'-P energy: -42.527 bonds (distance) P-C4' energy: -48.532 flat angles C4'-P-C4' energy: -51.145 flat angles P-C4'-P energy: -27.543 tors. eta vs tors. theta energy: -23.777 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: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -303.406728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.406728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.406728 (E_RNA) where: Base-Base interactions energy: -121.243 where: short stacking energy: -86.957 Base-Backbone interact. energy: 0.459 local terms energy: -182.622293 where: bonds (distance) C4'-P energy: -46.322 bonds (distance) P-C4' energy: -58.985 flat angles C4'-P-C4' energy: -52.245 flat angles P-C4'-P energy: -24.782 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1040.125355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.125355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.125355 (E_RNA) where: Base-Base interactions energy: -721.861 where: short stacking energy: -305.009 Base-Backbone interact. energy: -2.214 local terms energy: -316.050908 where: bonds (distance) C4'-P energy: -56.348 bonds (distance) P-C4' energy: -67.465 flat angles C4'-P-C4' energy: -55.652 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -86.229 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: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -936.170176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.170176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.170176 (E_RNA) where: Base-Base interactions energy: -650.888 where: short stacking energy: -266.245 Base-Backbone interact. energy: -0.083 local terms energy: -285.199569 where: bonds (distance) C4'-P energy: -58.448 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -62.055 flat angles P-C4'-P energy: -41.261 tors. eta vs tors. theta energy: -63.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -896.475893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.475893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.475893 (E_RNA) where: Base-Base interactions energy: -607.480 where: short stacking energy: -289.889 Base-Backbone interact. energy: -1.260 local terms energy: -287.735852 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -63.548 flat angles P-C4'-P energy: -45.648 tors. eta vs tors. theta energy: -74.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -876.818437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.818437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.818437 (E_RNA) where: Base-Base interactions energy: -605.690 where: short stacking energy: -272.683 Base-Backbone interact. energy: -0.556 local terms energy: -270.572031 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -48.518 flat angles C4'-P-C4' energy: -59.573 flat angles P-C4'-P energy: -34.488 tors. eta vs tors. theta energy: -69.767 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: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -747.149109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.149109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.149109 (E_RNA) where: Base-Base interactions energy: -481.858 where: short stacking energy: -219.698 Base-Backbone interact. energy: -0.320 local terms energy: -264.971003 where: bonds (distance) C4'-P energy: -47.965 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -65.103 flat angles P-C4'-P energy: -36.445 tors. eta vs tors. theta energy: -54.719 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: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -673.839367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.839367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.839367 (E_RNA) where: Base-Base interactions energy: -430.869 where: short stacking energy: -194.802 Base-Backbone interact. energy: 2.646 local terms energy: -245.616648 where: bonds (distance) C4'-P energy: -52.104 bonds (distance) P-C4' energy: -52.595 flat angles C4'-P-C4' energy: -48.021 flat angles P-C4'-P energy: -38.852 tors. eta vs tors. theta energy: -54.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -589.483365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.483365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.483365 (E_RNA) where: Base-Base interactions energy: -375.911 where: short stacking energy: -171.806 Base-Backbone interact. energy: -1.428 local terms energy: -212.143688 where: bonds (distance) C4'-P energy: -48.072 bonds (distance) P-C4' energy: -55.953 flat angles C4'-P-C4' energy: -55.142 flat angles P-C4'-P energy: -26.097 tors. eta vs tors. theta energy: -26.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -531.533704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.533704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.533704 (E_RNA) where: Base-Base interactions energy: -319.368 where: short stacking energy: -174.812 Base-Backbone interact. energy: -0.525 local terms energy: -211.640711 where: bonds (distance) C4'-P energy: -50.393 bonds (distance) P-C4' energy: -47.082 flat angles C4'-P-C4' energy: -54.916 flat angles P-C4'-P energy: -29.302 tors. eta vs tors. theta energy: -29.947 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: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -377.655535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.655535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.655535 (E_RNA) where: Base-Base interactions energy: -199.124 where: short stacking energy: -121.041 Base-Backbone interact. energy: -1.351 local terms energy: -177.180463 where: bonds (distance) C4'-P energy: -46.172 bonds (distance) P-C4' energy: -41.532 flat angles C4'-P-C4' energy: -54.903 flat angles P-C4'-P energy: -23.205 tors. eta vs tors. theta energy: -11.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -264.887509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.887509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.887509 (E_RNA) where: Base-Base interactions energy: -99.705 where: short stacking energy: -98.479 Base-Backbone interact. energy: 1.038 local terms energy: -166.221076 where: bonds (distance) C4'-P energy: -41.516 bonds (distance) P-C4' energy: -50.122 flat angles C4'-P-C4' energy: -40.673 flat angles P-C4'-P energy: -27.236 tors. eta vs tors. theta energy: -6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1029.916854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.916854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.916854 (E_RNA) where: Base-Base interactions energy: -734.626 where: short stacking energy: -300.613 Base-Backbone interact. energy: -1.282 local terms energy: -294.008432 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -57.221 flat angles C4'-P-C4' energy: -62.815 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -75.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -938.779633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.779633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.779633 (E_RNA) where: Base-Base interactions energy: -649.045 where: short stacking energy: -258.162 Base-Backbone interact. energy: -0.936 local terms energy: -288.798304 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -53.651 flat angles C4'-P-C4' energy: -67.233 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: -69.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -903.143288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.143288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.143288 (E_RNA) where: Base-Base interactions energy: -593.108 where: short stacking energy: -270.712 Base-Backbone interact. energy: -0.515 local terms energy: -309.520465 where: bonds (distance) C4'-P energy: -51.419 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -68.507 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -80.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -876.023837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.023837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.023837 (E_RNA) where: Base-Base interactions energy: -598.643 where: short stacking energy: -271.053 Base-Backbone interact. energy: -2.156 local terms energy: -275.224822 where: bonds (distance) C4'-P energy: -47.315 bonds (distance) P-C4' energy: -48.878 flat angles C4'-P-C4' energy: -66.518 flat angles P-C4'-P energy: -34.567 tors. eta vs tors. theta energy: -77.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -768.004042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.004042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.004042 (E_RNA) where: Base-Base interactions energy: -492.075 where: short stacking energy: -218.245 Base-Backbone interact. energy: -1.012 local terms energy: -274.916568 where: bonds (distance) C4'-P energy: -56.437 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -61.746 flat angles P-C4'-P energy: -36.886 tors. eta vs tors. theta energy: -60.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -714.947667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.947667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.947667 (E_RNA) where: Base-Base interactions energy: -481.164 where: short stacking energy: -223.192 Base-Backbone interact. energy: 0.637 local terms energy: -234.421189 where: bonds (distance) C4'-P energy: -43.576 bonds (distance) P-C4' energy: -46.452 flat angles C4'-P-C4' energy: -57.652 flat angles P-C4'-P energy: -36.364 tors. eta vs tors. theta energy: -50.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -599.272957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.272957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.272957 (E_RNA) where: Base-Base interactions energy: -380.066 where: short stacking energy: -180.642 Base-Backbone interact. energy: -1.250 local terms energy: -217.957951 where: bonds (distance) C4'-P energy: -56.555 bonds (distance) P-C4' energy: -43.476 flat angles C4'-P-C4' energy: -51.844 flat angles P-C4'-P energy: -34.840 tors. eta vs tors. theta energy: -31.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -532.520576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.520576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.520576 (E_RNA) where: Base-Base interactions energy: -309.068 where: short stacking energy: -166.891 Base-Backbone interact. energy: -0.743 local terms energy: -222.709290 where: bonds (distance) C4'-P energy: -47.091 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -60.151 flat angles P-C4'-P energy: -27.889 tors. eta vs tors. theta energy: -36.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -354.159578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.159578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.159578 (E_RNA) where: Base-Base interactions energy: -169.777 where: short stacking energy: -108.380 Base-Backbone interact. energy: 1.383 local terms energy: -185.765579 where: bonds (distance) C4'-P energy: -42.890 bonds (distance) P-C4' energy: -47.005 flat angles C4'-P-C4' energy: -60.952 flat angles P-C4'-P energy: -32.250 tors. eta vs tors. theta energy: -2.667 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: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -255.766903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.766903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.766903 (E_RNA) where: Base-Base interactions energy: -101.763 where: short stacking energy: -80.642 Base-Backbone interact. energy: -1.115 local terms energy: -152.888826 where: bonds (distance) C4'-P energy: -29.228 bonds (distance) P-C4' energy: -50.944 flat angles C4'-P-C4' energy: -46.750 flat angles P-C4'-P energy: -17.981 tors. eta vs tors. theta energy: -7.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1022.996827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.996827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.996827 (E_RNA) where: Base-Base interactions energy: -713.226 where: short stacking energy: -295.159 Base-Backbone interact. energy: 0.100 local terms energy: -309.870653 where: bonds (distance) C4'-P energy: -60.170 bonds (distance) P-C4' energy: -62.470 flat angles C4'-P-C4' energy: -59.614 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -84.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -955.993743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.993743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.993743 (E_RNA) where: Base-Base interactions energy: -666.473 where: short stacking energy: -272.907 Base-Backbone interact. energy: -0.178 local terms energy: -289.342340 where: bonds (distance) C4'-P energy: -55.084 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -62.476 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -74.795 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: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -905.932786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.932786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.932786 (E_RNA) where: Base-Base interactions energy: -609.752 where: short stacking energy: -294.774 Base-Backbone interact. energy: -0.735 local terms energy: -295.446224 where: bonds (distance) C4'-P energy: -59.845 bonds (distance) P-C4' energy: -52.708 flat angles C4'-P-C4' energy: -62.272 flat angles P-C4'-P energy: -42.593 tors. eta vs tors. theta energy: -78.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -873.373408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.373408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.373408 (E_RNA) where: Base-Base interactions energy: -583.311 where: short stacking energy: -266.748 Base-Backbone interact. energy: 0.123 local terms energy: -290.185462 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -56.644 flat angles C4'-P-C4' energy: -64.553 flat angles P-C4'-P energy: -42.136 tors. eta vs tors. theta energy: -69.619 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: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -747.727424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.727424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.727424 (E_RNA) where: Base-Base interactions energy: -512.524 where: short stacking energy: -237.419 Base-Backbone interact. energy: 1.077 local terms energy: -236.280106 where: bonds (distance) C4'-P energy: -51.494 bonds (distance) P-C4' energy: -46.494 flat angles C4'-P-C4' energy: -48.001 flat angles P-C4'-P energy: -39.799 tors. eta vs tors. theta energy: -50.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -685.170356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.170356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.170356 (E_RNA) where: Base-Base interactions energy: -434.249 where: short stacking energy: -190.998 Base-Backbone interact. energy: -0.989 local terms energy: -249.932732 where: bonds (distance) C4'-P energy: -52.389 bonds (distance) P-C4' energy: -50.309 flat angles C4'-P-C4' energy: -57.185 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: -48.678 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: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -620.451802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.451802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.451802 (E_RNA) where: Base-Base interactions energy: -400.966 where: short stacking energy: -182.092 Base-Backbone interact. energy: -0.030 local terms energy: -219.455580 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -47.267 flat angles P-C4'-P energy: -32.114 tors. eta vs tors. theta energy: -34.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -513.994474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.994474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.994474 (E_RNA) where: Base-Base interactions energy: -301.727 where: short stacking energy: -161.078 Base-Backbone interact. energy: -1.256 local terms energy: -211.011016 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -36.960 flat angles C4'-P-C4' energy: -42.400 flat angles P-C4'-P energy: -34.655 tors. eta vs tors. theta energy: -34.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -350.972172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.972172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.972172 (E_RNA) where: Base-Base interactions energy: -177.601 where: short stacking energy: -90.253 Base-Backbone interact. energy: -0.816 local terms energy: -172.555828 where: bonds (distance) C4'-P energy: -41.016 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -55.813 flat angles P-C4'-P energy: -27.456 tors. eta vs tors. theta energy: 7.984 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -270.207324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.207324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.207324 (E_RNA) where: Base-Base interactions energy: -91.822 where: short stacking energy: -77.870 Base-Backbone interact. energy: 0.755 local terms energy: -179.141027 where: bonds (distance) C4'-P energy: -51.627 bonds (distance) P-C4' energy: -53.970 flat angles C4'-P-C4' energy: -46.412 flat angles P-C4'-P energy: -22.800 tors. eta vs tors. theta energy: -4.333 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: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1028.203864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.203864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.203864 (E_RNA) where: Base-Base interactions energy: -715.721 where: short stacking energy: -316.088 Base-Backbone interact. energy: -1.555 local terms energy: -310.927862 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -52.095 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -49.471 tors. eta vs tors. theta energy: -83.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -947.850856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.850856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.850856 (E_RNA) where: Base-Base interactions energy: -649.474 where: short stacking energy: -280.505 Base-Backbone interact. energy: -1.326 local terms energy: -297.050185 where: bonds (distance) C4'-P energy: -62.001 bonds (distance) P-C4' energy: -56.386 flat angles C4'-P-C4' energy: -56.779 flat angles P-C4'-P energy: -44.750 tors. eta vs tors. theta energy: -77.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -880.795452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.795452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.795452 (E_RNA) where: Base-Base interactions energy: -601.961 where: short stacking energy: -284.612 Base-Backbone interact. energy: 0.870 local terms energy: -279.703605 where: bonds (distance) C4'-P energy: -36.626 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -65.044 flat angles P-C4'-P energy: -42.266 tors. eta vs tors. theta energy: -75.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -879.385195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.385195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.385195 (E_RNA) where: Base-Base interactions energy: -590.995 where: short stacking energy: -280.176 Base-Backbone interact. energy: 0.738 local terms energy: -289.127561 where: bonds (distance) C4'-P energy: -55.792 bonds (distance) P-C4' energy: -55.203 flat angles C4'-P-C4' energy: -56.616 flat angles P-C4'-P energy: -40.469 tors. eta vs tors. theta energy: -81.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -734.744633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.744633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.744633 (E_RNA) where: Base-Base interactions energy: -492.623 where: short stacking energy: -208.539 Base-Backbone interact. energy: -0.803 local terms energy: -241.318128 where: bonds (distance) C4'-P energy: -49.392 bonds (distance) P-C4' energy: -58.871 flat angles C4'-P-C4' energy: -44.628 flat angles P-C4'-P energy: -34.459 tors. eta vs tors. theta energy: -53.968 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: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -722.753549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.753549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.753549 (E_RNA) where: Base-Base interactions energy: -472.844 where: short stacking energy: -234.192 Base-Backbone interact. energy: -1.005 local terms energy: -248.904433 where: bonds (distance) C4'-P energy: -52.438 bonds (distance) P-C4' energy: -46.662 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -28.568 tors. eta vs tors. theta energy: -59.023 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: 42 Temperature: 1.200000 Total energy: -700.094060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.094060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.094060 (E_RNA) where: Base-Base interactions energy: -457.709 where: short stacking energy: -228.974 Base-Backbone interact. energy: -0.444 local terms energy: -241.941669 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -50.515 flat angles C4'-P-C4' energy: -45.618 flat angles P-C4'-P energy: -34.306 tors. eta vs tors. theta energy: -53.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -517.139624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.139624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.139624 (E_RNA) where: Base-Base interactions energy: -322.540 where: short stacking energy: -161.567 Base-Backbone interact. energy: -0.801 local terms energy: -193.798002 where: bonds (distance) C4'-P energy: -48.660 bonds (distance) P-C4' energy: -38.614 flat angles C4'-P-C4' energy: -53.490 flat angles P-C4'-P energy: -27.690 tors. eta vs tors. theta energy: -25.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -366.605236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.605236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.605236 (E_RNA) where: Base-Base interactions energy: -181.827 where: short stacking energy: -118.750 Base-Backbone interact. energy: -0.730 local terms energy: -184.048742 where: bonds (distance) C4'-P energy: -53.009 bonds (distance) P-C4' energy: -53.155 flat angles C4'-P-C4' energy: -45.128 flat angles P-C4'-P energy: -21.422 tors. eta vs tors. theta energy: -11.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -312.947232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.947232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.947232 (E_RNA) where: Base-Base interactions energy: -129.946 where: short stacking energy: -94.683 Base-Backbone interact. energy: -1.453 local terms energy: -181.548118 where: bonds (distance) C4'-P energy: -54.052 bonds (distance) P-C4' energy: -55.145 flat angles C4'-P-C4' energy: -48.161 flat angles P-C4'-P energy: -25.322 tors. eta vs tors. theta energy: 1.133 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: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -995.218504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.218504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.218504 (E_RNA) where: Base-Base interactions energy: -690.538 where: short stacking energy: -310.404 Base-Backbone interact. energy: 0.161 local terms energy: -304.841748 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -53.384 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -91.849 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: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -967.938684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.938684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.938684 (E_RNA) where: Base-Base interactions energy: -657.909 where: short stacking energy: -287.038 Base-Backbone interact. energy: -1.035 local terms energy: -308.994998 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -66.139 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -75.802 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: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -896.795218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.795218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.795218 (E_RNA) where: Base-Base interactions energy: -600.307 where: short stacking energy: -286.261 Base-Backbone interact. energy: -1.088 local terms energy: -295.399847 where: bonds (distance) C4'-P energy: -56.352 bonds (distance) P-C4' energy: -54.083 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -35.187 tors. eta vs tors. theta energy: -82.989 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: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -838.874570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.874570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.874570 (E_RNA) where: Base-Base interactions energy: -570.734 where: short stacking energy: -259.329 Base-Backbone interact. energy: -1.908 local terms energy: -266.231864 where: bonds (distance) C4'-P energy: -42.958 bonds (distance) P-C4' energy: -55.317 flat angles C4'-P-C4' energy: -63.212 flat angles P-C4'-P energy: -37.314 tors. eta vs tors. theta energy: -67.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -764.160954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.160954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.160954 (E_RNA) where: Base-Base interactions energy: -510.973 where: short stacking energy: -242.648 Base-Backbone interact. energy: 0.924 local terms energy: -254.111865 where: bonds (distance) C4'-P energy: -53.491 bonds (distance) P-C4' energy: -46.674 flat angles C4'-P-C4' energy: -66.415 flat angles P-C4'-P energy: -26.857 tors. eta vs tors. theta energy: -60.675 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -659.335154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.335154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.335154 (E_RNA) where: Base-Base interactions energy: -424.094 where: short stacking energy: -196.735 Base-Backbone interact. energy: -2.267 local terms energy: -232.973984 where: bonds (distance) C4'-P energy: -41.355 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -51.673 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -43.097 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: 43 Temperature: 1.200000 Total energy: -662.325710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.325710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.325710 (E_RNA) where: Base-Base interactions energy: -438.031 where: short stacking energy: -182.905 Base-Backbone interact. energy: -0.511 local terms energy: -223.783881 where: bonds (distance) C4'-P energy: -50.080 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -45.633 flat angles P-C4'-P energy: -21.327 tors. eta vs tors. theta energy: -45.195 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: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -511.904615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.904615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.904615 (E_RNA) where: Base-Base interactions energy: -315.500 where: short stacking energy: -159.246 Base-Backbone interact. energy: -0.302 local terms energy: -196.101835 where: bonds (distance) C4'-P energy: -47.550 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -49.259 flat angles P-C4'-P energy: -19.067 tors. eta vs tors. theta energy: -25.300 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: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -359.660870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.660870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.660870 (E_RNA) where: Base-Base interactions energy: -185.169 where: short stacking energy: -121.388 Base-Backbone interact. energy: -1.154 local terms energy: -173.337893 where: bonds (distance) C4'-P energy: -45.592 bonds (distance) P-C4' energy: -50.524 flat angles C4'-P-C4' energy: -41.798 flat angles P-C4'-P energy: -33.791 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -280.569024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.569024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.569024 (E_RNA) where: Base-Base interactions energy: -121.686 where: short stacking energy: -90.429 Base-Backbone interact. energy: 0.916 local terms energy: -159.798362 where: bonds (distance) C4'-P energy: -54.982 bonds (distance) P-C4' energy: -50.134 flat angles C4'-P-C4' energy: -35.822 flat angles P-C4'-P energy: -20.592 tors. eta vs tors. theta energy: 1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1012.054059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.054059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.054059 (E_RNA) where: Base-Base interactions energy: -704.060 where: short stacking energy: -314.844 Base-Backbone interact. energy: -0.824 local terms energy: -307.169520 where: bonds (distance) C4'-P energy: -60.820 bonds (distance) P-C4' energy: -57.203 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: -83.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -956.351587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.351587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.351587 (E_RNA) where: Base-Base interactions energy: -662.771 where: short stacking energy: -286.101 Base-Backbone interact. energy: -1.539 local terms energy: -292.040791 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -51.736 flat angles C4'-P-C4' energy: -66.944 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -71.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -847.550050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.550050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.550050 (E_RNA) where: Base-Base interactions energy: -557.787 where: short stacking energy: -266.147 Base-Backbone interact. energy: -1.797 local terms energy: -287.965577 where: bonds (distance) C4'-P energy: -50.385 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -79.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -861.153851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.153851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.153851 (E_RNA) where: Base-Base interactions energy: -573.339 where: short stacking energy: -279.148 Base-Backbone interact. energy: -0.880 local terms energy: -286.935578 where: bonds (distance) C4'-P energy: -53.118 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -54.614 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -69.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -766.333080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.333080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.333080 (E_RNA) where: Base-Base interactions energy: -493.745 where: short stacking energy: -225.668 Base-Backbone interact. energy: 2.804 local terms energy: -275.391515 where: bonds (distance) C4'-P energy: -57.719 bonds (distance) P-C4' energy: -60.476 flat angles C4'-P-C4' energy: -56.649 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -60.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -701.924752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.924752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.924752 (E_RNA) where: Base-Base interactions energy: -453.507 where: short stacking energy: -215.921 Base-Backbone interact. energy: -1.308 local terms energy: -247.109647 where: bonds (distance) C4'-P energy: -56.027 bonds (distance) P-C4' energy: -47.255 flat angles C4'-P-C4' energy: -62.471 flat angles P-C4'-P energy: -29.513 tors. eta vs tors. theta energy: -51.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -736.462198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.462198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.462198 (E_RNA) where: Base-Base interactions energy: -489.824 where: short stacking energy: -187.227 Base-Backbone interact. energy: -2.699 local terms energy: -243.939088 where: bonds (distance) C4'-P energy: -51.798 bonds (distance) P-C4' energy: -52.707 flat angles C4'-P-C4' energy: -51.714 flat angles P-C4'-P energy: -35.984 tors. eta vs tors. theta energy: -51.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -530.845959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.845959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.845959 (E_RNA) where: Base-Base interactions energy: -316.138 where: short stacking energy: -182.825 Base-Backbone interact. energy: -0.987 local terms energy: -213.720801 where: bonds (distance) C4'-P energy: -55.730 bonds (distance) P-C4' energy: -46.721 flat angles C4'-P-C4' energy: -41.913 flat angles P-C4'-P energy: -26.355 tors. eta vs tors. theta energy: -43.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -367.752552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.752552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.752552 (E_RNA) where: Base-Base interactions energy: -166.433 where: short stacking energy: -116.421 Base-Backbone interact. energy: -0.641 local terms energy: -200.678466 where: bonds (distance) C4'-P energy: -49.937 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -45.880 flat angles P-C4'-P energy: -25.148 tors. eta vs tors. theta energy: -11.626 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: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -323.881489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.881489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.881489 (E_RNA) where: Base-Base interactions energy: -152.012 where: short stacking energy: -101.356 Base-Backbone interact. energy: -0.023 local terms energy: -171.846552 where: bonds (distance) C4'-P energy: -45.732 bonds (distance) P-C4' energy: -48.078 flat angles C4'-P-C4' energy: -47.756 flat angles P-C4'-P energy: -25.963 tors. eta vs tors. theta energy: -4.318 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: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1005.383402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.383402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.383402 (E_RNA) where: Base-Base interactions energy: -691.501 where: short stacking energy: -303.344 Base-Backbone interact. energy: -2.771 local terms energy: -311.110761 where: bonds (distance) C4'-P energy: -57.515 bonds (distance) P-C4' energy: -64.460 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -85.675 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: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -980.018698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.018698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.018698 (E_RNA) where: Base-Base interactions energy: -681.703 where: short stacking energy: -270.280 Base-Backbone interact. energy: -2.768 local terms energy: -295.547099 where: bonds (distance) C4'-P energy: -53.531 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -61.096 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: -83.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -884.996994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.996994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.996994 (E_RNA) where: Base-Base interactions energy: -589.863 where: short stacking energy: -269.800 Base-Backbone interact. energy: -1.831 local terms energy: -293.302674 where: bonds (distance) C4'-P energy: -58.855 bonds (distance) P-C4' energy: -53.739 flat angles C4'-P-C4' energy: -62.720 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -71.345 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: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -834.695683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.695683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.695683 (E_RNA) where: Base-Base interactions energy: -557.519 where: short stacking energy: -259.800 Base-Backbone interact. energy: -2.050 local terms energy: -275.126683 where: bonds (distance) C4'-P energy: -52.763 bonds (distance) P-C4' energy: -54.574 flat angles C4'-P-C4' energy: -59.976 flat angles P-C4'-P energy: -40.219 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: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -737.701338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.701338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.701338 (E_RNA) where: Base-Base interactions energy: -494.899 where: short stacking energy: -215.944 Base-Backbone interact. energy: -0.734 local terms energy: -242.067889 where: bonds (distance) C4'-P energy: -46.141 bonds (distance) P-C4' energy: -44.420 flat angles C4'-P-C4' energy: -54.564 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -59.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -764.232167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.232167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.232167 (E_RNA) where: Base-Base interactions energy: -516.654 where: short stacking energy: -219.283 Base-Backbone interact. energy: -1.037 local terms energy: -246.541273 where: bonds (distance) C4'-P energy: -54.850 bonds (distance) P-C4' energy: -40.867 flat angles C4'-P-C4' energy: -57.951 flat angles P-C4'-P energy: -34.189 tors. eta vs tors. theta energy: -58.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -667.432385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.432385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.432385 (E_RNA) where: Base-Base interactions energy: -437.097 where: short stacking energy: -205.719 Base-Backbone interact. energy: 0.679 local terms energy: -231.014786 where: bonds (distance) C4'-P energy: -41.731 bonds (distance) P-C4' energy: -53.274 flat angles C4'-P-C4' energy: -56.011 flat angles P-C4'-P energy: -39.275 tors. eta vs tors. theta energy: -40.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -531.978390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.978390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.978390 (E_RNA) where: Base-Base interactions energy: -324.591 where: short stacking energy: -173.557 Base-Backbone interact. energy: -0.805 local terms energy: -206.582030 where: bonds (distance) C4'-P energy: -38.743 bonds (distance) P-C4' energy: -48.335 flat angles C4'-P-C4' energy: -50.112 flat angles P-C4'-P energy: -25.313 tors. eta vs tors. theta energy: -44.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -399.125257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.125257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.125257 (E_RNA) where: Base-Base interactions energy: -210.525 where: short stacking energy: -116.109 Base-Backbone interact. energy: 2.021 local terms energy: -190.621627 where: bonds (distance) C4'-P energy: -38.601 bonds (distance) P-C4' energy: -59.616 flat angles C4'-P-C4' energy: -45.078 flat angles P-C4'-P energy: -29.152 tors. eta vs tors. theta energy: -18.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -327.004758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.004758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.004758 (E_RNA) where: Base-Base interactions energy: -155.698 where: short stacking energy: -95.535 Base-Backbone interact. energy: -1.739 local terms energy: -169.568373 where: bonds (distance) C4'-P energy: -46.807 bonds (distance) P-C4' energy: -49.116 flat angles C4'-P-C4' energy: -40.309 flat angles P-C4'-P energy: -33.269 tors. eta vs tors. theta energy: -0.068 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1007.850794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.850794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.850794 (E_RNA) where: Base-Base interactions energy: -694.001 where: short stacking energy: -316.317 Base-Backbone interact. energy: -2.012 local terms energy: -311.837893 where: bonds (distance) C4'-P energy: -61.960 bonds (distance) P-C4' energy: -55.164 flat angles C4'-P-C4' energy: -65.583 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: -88.939 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: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -960.166267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.166267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.166267 (E_RNA) where: Base-Base interactions energy: -651.939 where: short stacking energy: -269.265 Base-Backbone interact. energy: -2.148 local terms energy: -306.079026 where: bonds (distance) C4'-P energy: -62.123 bonds (distance) P-C4' energy: -60.003 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -46.220 tors. eta vs tors. theta energy: -72.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -894.330836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.330836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.330836 (E_RNA) where: Base-Base interactions energy: -591.475 where: short stacking energy: -274.214 Base-Backbone interact. energy: -0.043 local terms energy: -302.813323 where: bonds (distance) C4'-P energy: -55.102 bonds (distance) P-C4' energy: -55.751 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -46.917 tors. eta vs tors. theta energy: -78.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -846.531444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.531444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.531444 (E_RNA) where: Base-Base interactions energy: -581.515 where: short stacking energy: -255.900 Base-Backbone interact. energy: -2.058 local terms energy: -262.958522 where: bonds (distance) C4'-P energy: -54.973 bonds (distance) P-C4' energy: -52.838 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -26.598 tors. eta vs tors. theta energy: -66.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -792.165679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.165679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.165679 (E_RNA) where: Base-Base interactions energy: -529.711 where: short stacking energy: -240.058 Base-Backbone interact. energy: -1.178 local terms energy: -261.277239 where: bonds (distance) C4'-P energy: -48.423 bonds (distance) P-C4' energy: -49.180 flat angles C4'-P-C4' energy: -65.914 flat angles P-C4'-P energy: -35.428 tors. eta vs tors. theta energy: -62.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -707.752364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.752364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.752364 (E_RNA) where: Base-Base interactions energy: -456.997 where: short stacking energy: -208.174 Base-Backbone interact. energy: -1.181 local terms energy: -249.573727 where: bonds (distance) C4'-P energy: -50.738 bonds (distance) P-C4' energy: -50.090 flat angles C4'-P-C4' energy: -56.651 flat angles P-C4'-P energy: -30.601 tors. eta vs tors. theta energy: -61.495 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: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -643.769982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.769982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.769982 (E_RNA) where: Base-Base interactions energy: -410.872 where: short stacking energy: -198.942 Base-Backbone interact. energy: 1.295 local terms energy: -234.193302 where: bonds (distance) C4'-P energy: -52.893 bonds (distance) P-C4' energy: -52.638 flat angles C4'-P-C4' energy: -54.102 flat angles P-C4'-P energy: -27.413 tors. eta vs tors. theta energy: -47.147 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: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -525.930671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.930671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.930671 (E_RNA) where: Base-Base interactions energy: -314.625 where: short stacking energy: -151.590 Base-Backbone interact. energy: 0.984 local terms energy: -212.289426 where: bonds (distance) C4'-P energy: -40.696 bonds (distance) P-C4' energy: -53.556 flat angles C4'-P-C4' energy: -56.697 flat angles P-C4'-P energy: -33.570 tors. eta vs tors. theta energy: -27.770 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: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -398.358559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.358559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.358559 (E_RNA) where: Base-Base interactions energy: -214.196 where: short stacking energy: -119.856 Base-Backbone interact. energy: -0.377 local terms energy: -183.785321 where: bonds (distance) C4'-P energy: -45.764 bonds (distance) P-C4' energy: -55.004 flat angles C4'-P-C4' energy: -54.548 flat angles P-C4'-P energy: -19.962 tors. eta vs tors. theta energy: -8.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -327.629663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.629663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.629663 (E_RNA) where: Base-Base interactions energy: -156.960 where: short stacking energy: -86.202 Base-Backbone interact. energy: 1.118 local terms energy: -171.788112 where: bonds (distance) C4'-P energy: -49.766 bonds (distance) P-C4' energy: -51.594 flat angles C4'-P-C4' energy: -41.814 flat angles P-C4'-P energy: -17.597 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: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1006.874150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.874150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.874150 (E_RNA) where: Base-Base interactions energy: -690.389 where: short stacking energy: -300.720 Base-Backbone interact. energy: 0.243 local terms energy: -316.727329 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -58.527 flat angles C4'-P-C4' energy: -68.685 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -80.581 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: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -956.541654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.541654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.541654 (E_RNA) where: Base-Base interactions energy: -659.842 where: short stacking energy: -264.942 Base-Backbone interact. energy: -2.558 local terms energy: -294.141143 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -59.937 flat angles C4'-P-C4' energy: -72.079 flat angles P-C4'-P energy: -37.630 tors. eta vs tors. theta energy: -69.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -931.539152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.539152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.539152 (E_RNA) where: Base-Base interactions energy: -630.479 where: short stacking energy: -285.755 Base-Backbone interact. energy: -0.777 local terms energy: -300.282784 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -59.895 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: -77.131 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -850.572033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.572033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.572033 (E_RNA) where: Base-Base interactions energy: -581.143 where: short stacking energy: -262.504 Base-Backbone interact. energy: 1.090 local terms energy: -270.519482 where: bonds (distance) C4'-P energy: -40.621 bonds (distance) P-C4' energy: -57.861 flat angles C4'-P-C4' energy: -54.888 flat angles P-C4'-P energy: -37.377 tors. eta vs tors. theta energy: -79.772 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: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -793.505745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.505745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.505745 (E_RNA) where: Base-Base interactions energy: -524.307 where: short stacking energy: -228.630 Base-Backbone interact. energy: 0.335 local terms energy: -269.533630 where: bonds (distance) C4'-P energy: -64.694 bonds (distance) P-C4' energy: -46.824 flat angles C4'-P-C4' energy: -53.824 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -60.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -687.225789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.225789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.225789 (E_RNA) where: Base-Base interactions energy: -439.464 where: short stacking energy: -209.692 Base-Backbone interact. energy: -0.529 local terms energy: -247.232649 where: bonds (distance) C4'-P energy: -50.903 bonds (distance) P-C4' energy: -50.263 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -35.867 tors. eta vs tors. theta energy: -51.165 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: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -616.282625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.282625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.282625 (E_RNA) where: Base-Base interactions energy: -389.351 where: short stacking energy: -182.706 Base-Backbone interact. energy: 0.519 local terms energy: -227.450602 where: bonds (distance) C4'-P energy: -59.397 bonds (distance) P-C4' energy: -55.062 flat angles C4'-P-C4' energy: -44.003 flat angles P-C4'-P energy: -27.650 tors. eta vs tors. theta energy: -41.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -512.196918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.196918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.196918 (E_RNA) where: Base-Base interactions energy: -306.011 where: short stacking energy: -162.892 Base-Backbone interact. energy: -2.155 local terms energy: -204.031145 where: bonds (distance) C4'-P energy: -53.649 bonds (distance) P-C4' energy: -48.100 flat angles C4'-P-C4' energy: -57.642 flat angles P-C4'-P energy: -23.195 tors. eta vs tors. theta energy: -21.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -396.605270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.605270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.605270 (E_RNA) where: Base-Base interactions energy: -221.255 where: short stacking energy: -116.276 Base-Backbone interact. energy: 1.419 local terms energy: -176.769211 where: bonds (distance) C4'-P energy: -49.572 bonds (distance) P-C4' energy: -47.971 flat angles C4'-P-C4' energy: -58.161 flat angles P-C4'-P energy: -22.005 tors. eta vs tors. theta energy: 0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -325.740428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.740428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.740428 (E_RNA) where: Base-Base interactions energy: -141.568 where: short stacking energy: -87.061 Base-Backbone interact. energy: 1.997 local terms energy: -186.168925 where: bonds (distance) C4'-P energy: -45.985 bonds (distance) P-C4' energy: -47.021 flat angles C4'-P-C4' energy: -49.493 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: -11.270 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: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1020.771625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.771625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.771625 (E_RNA) where: Base-Base interactions energy: -717.831 where: short stacking energy: -308.110 Base-Backbone interact. energy: -1.959 local terms energy: -300.981536 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -84.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -972.412523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.412523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.412523 (E_RNA) where: Base-Base interactions energy: -681.723 where: short stacking energy: -286.379 Base-Backbone interact. energy: 0.603 local terms energy: -291.292033 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -47.507 flat angles C4'-P-C4' energy: -64.550 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -76.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -921.447699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.447699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.447699 (E_RNA) where: Base-Base interactions energy: -625.771 where: short stacking energy: -285.099 Base-Backbone interact. energy: 1.931 local terms energy: -297.607958 where: bonds (distance) C4'-P energy: -54.189 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -63.324 flat angles P-C4'-P energy: -46.820 tors. eta vs tors. theta energy: -80.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -868.497392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.497392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.497392 (E_RNA) where: Base-Base interactions energy: -588.456 where: short stacking energy: -251.699 Base-Backbone interact. energy: -0.159 local terms energy: -279.881885 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -61.462 flat angles C4'-P-C4' energy: -58.755 flat angles P-C4'-P energy: -34.923 tors. eta vs tors. theta energy: -63.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -820.958251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.958251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.958251 (E_RNA) where: Base-Base interactions energy: -544.751 where: short stacking energy: -252.293 Base-Backbone interact. energy: -1.387 local terms energy: -274.820279 where: bonds (distance) C4'-P energy: -50.184 bonds (distance) P-C4' energy: -52.400 flat angles C4'-P-C4' energy: -60.386 flat angles P-C4'-P energy: -43.995 tors. eta vs tors. theta energy: -67.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -678.890631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.890631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.890631 (E_RNA) where: Base-Base interactions energy: -430.294 where: short stacking energy: -209.834 Base-Backbone interact. energy: -1.003 local terms energy: -247.592972 where: bonds (distance) C4'-P energy: -46.674 bonds (distance) P-C4' energy: -59.391 flat angles C4'-P-C4' energy: -56.988 flat angles P-C4'-P energy: -32.139 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: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -646.689940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.689940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.689940 (E_RNA) where: Base-Base interactions energy: -413.031 where: short stacking energy: -187.559 Base-Backbone interact. energy: -1.107 local terms energy: -232.552006 where: bonds (distance) C4'-P energy: -50.369 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -53.897 flat angles P-C4'-P energy: -31.383 tors. eta vs tors. theta energy: -40.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -495.369692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.369692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.369692 (E_RNA) where: Base-Base interactions energy: -301.154 where: short stacking energy: -157.583 Base-Backbone interact. energy: 3.320 local terms energy: -197.535823 where: bonds (distance) C4'-P energy: -43.414 bonds (distance) P-C4' energy: -50.253 flat angles C4'-P-C4' energy: -51.582 flat angles P-C4'-P energy: -22.385 tors. eta vs tors. theta energy: -29.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -386.469607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.469607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.469607 (E_RNA) where: Base-Base interactions energy: -197.380 where: short stacking energy: -111.085 Base-Backbone interact. energy: 0.148 local terms energy: -189.237941 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -43.617 flat angles C4'-P-C4' energy: -47.245 flat angles P-C4'-P energy: -29.855 tors. eta vs tors. theta energy: -13.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -384.844928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.844928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.844928 (E_RNA) where: Base-Base interactions energy: -203.857 where: short stacking energy: -113.405 Base-Backbone interact. energy: 1.865 local terms energy: -182.852954 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -52.184 flat angles C4'-P-C4' energy: -52.424 flat angles P-C4'-P energy: -18.605 tors. eta vs tors. theta energy: -3.597 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: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1015.276373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.276373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.276373 (E_RNA) where: Base-Base interactions energy: -698.480 where: short stacking energy: -305.054 Base-Backbone interact. energy: 0.949 local terms energy: -317.745208 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -64.700 flat angles P-C4'-P energy: -46.477 tors. eta vs tors. theta energy: -81.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -984.354556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.354556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.354556 (E_RNA) where: Base-Base interactions energy: -689.078 where: short stacking energy: -293.211 Base-Backbone interact. energy: 2.791 local terms energy: -298.067537 where: bonds (distance) C4'-P energy: -50.664 bonds (distance) P-C4' energy: -65.304 flat angles C4'-P-C4' energy: -58.824 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -81.179 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: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -897.414327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.414327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.414327 (E_RNA) where: Base-Base interactions energy: -606.642 where: short stacking energy: -256.759 Base-Backbone interact. energy: -0.418 local terms energy: -290.353888 where: bonds (distance) C4'-P energy: -55.662 bonds (distance) P-C4' energy: -60.411 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: -73.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -838.558763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.558763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.558763 (E_RNA) where: Base-Base interactions energy: -565.636 where: short stacking energy: -256.281 Base-Backbone interact. energy: -0.274 local terms energy: -272.648127 where: bonds (distance) C4'-P energy: -48.885 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -51.037 flat angles P-C4'-P energy: -39.706 tors. eta vs tors. theta energy: -72.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -853.560003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.560003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.560003 (E_RNA) where: Base-Base interactions energy: -597.603 where: short stacking energy: -280.349 Base-Backbone interact. energy: 0.301 local terms energy: -256.258303 where: bonds (distance) C4'-P energy: -48.467 bonds (distance) P-C4' energy: -45.296 flat angles C4'-P-C4' energy: -59.958 flat angles P-C4'-P energy: -31.635 tors. eta vs tors. theta energy: -70.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -690.301796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.301796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.301796 (E_RNA) where: Base-Base interactions energy: -459.775 where: short stacking energy: -203.062 Base-Backbone interact. energy: 0.382 local terms energy: -230.908967 where: bonds (distance) C4'-P energy: -51.444 bonds (distance) P-C4' energy: -51.468 flat angles C4'-P-C4' energy: -53.292 flat angles P-C4'-P energy: -34.492 tors. eta vs tors. theta energy: -40.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -629.756144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.756144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.756144 (E_RNA) where: Base-Base interactions energy: -412.870 where: short stacking energy: -159.394 Base-Backbone interact. energy: 1.243 local terms energy: -218.129035 where: bonds (distance) C4'-P energy: -45.516 bonds (distance) P-C4' energy: -47.738 flat angles C4'-P-C4' energy: -58.208 flat angles P-C4'-P energy: -30.683 tors. eta vs tors. theta energy: -35.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -521.155685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.155685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.155685 (E_RNA) where: Base-Base interactions energy: -309.143 where: short stacking energy: -148.842 Base-Backbone interact. energy: -1.052 local terms energy: -210.960679 where: bonds (distance) C4'-P energy: -43.872 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -57.277 flat angles P-C4'-P energy: -29.709 tors. eta vs tors. theta energy: -21.665 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -406.283904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.283904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.283904 (E_RNA) where: Base-Base interactions energy: -224.189 where: short stacking energy: -140.397 Base-Backbone interact. energy: -0.367 local terms energy: -181.727557 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -48.461 flat angles C4'-P-C4' energy: -43.196 flat angles P-C4'-P energy: -23.891 tors. eta vs tors. theta energy: -11.863 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: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -386.964277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.964277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.964277 (E_RNA) where: Base-Base interactions energy: -211.403 where: short stacking energy: -118.465 Base-Backbone interact. energy: -0.756 local terms energy: -174.805864 where: bonds (distance) C4'-P energy: -31.928 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -38.461 flat angles P-C4'-P energy: -30.946 tors. eta vs tors. theta energy: -17.810 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: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -992.280371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.280371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.280371 (E_RNA) where: Base-Base interactions energy: -684.421 where: short stacking energy: -286.236 Base-Backbone interact. energy: -2.220 local terms energy: -305.639298 where: bonds (distance) C4'-P energy: -48.254 bonds (distance) P-C4' energy: -60.541 flat angles C4'-P-C4' energy: -70.604 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -79.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -966.758381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.758381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.758381 (E_RNA) where: Base-Base interactions energy: -655.299 where: short stacking energy: -296.179 Base-Backbone interact. energy: -0.731 local terms energy: -310.728350 where: bonds (distance) C4'-P energy: -58.721 bonds (distance) P-C4' energy: -54.570 flat angles C4'-P-C4' energy: -71.145 flat angles P-C4'-P energy: -38.857 tors. eta vs tors. theta energy: -87.435 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: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -881.610249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.610249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.610249 (E_RNA) where: Base-Base interactions energy: -608.395 where: short stacking energy: -265.761 Base-Backbone interact. energy: -1.474 local terms energy: -271.741212 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -54.748 flat angles P-C4'-P energy: -33.857 tors. eta vs tors. theta energy: -67.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -848.082447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.082447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.082447 (E_RNA) where: Base-Base interactions energy: -558.334 where: short stacking energy: -265.403 Base-Backbone interact. energy: -0.336 local terms energy: -289.411902 where: bonds (distance) C4'-P energy: -47.033 bonds (distance) P-C4' energy: -63.431 flat angles C4'-P-C4' energy: -62.187 flat angles P-C4'-P energy: -44.365 tors. eta vs tors. theta energy: -72.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -848.084024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.084024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.084024 (E_RNA) where: Base-Base interactions energy: -587.443 where: short stacking energy: -258.261 Base-Backbone interact. energy: -1.582 local terms energy: -259.059336 where: bonds (distance) C4'-P energy: -55.776 bonds (distance) P-C4' energy: -44.266 flat angles C4'-P-C4' energy: -53.681 flat angles P-C4'-P energy: -35.424 tors. eta vs tors. theta energy: -69.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -717.027451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.027451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.027451 (E_RNA) where: Base-Base interactions energy: -480.941 where: short stacking energy: -221.491 Base-Backbone interact. energy: 0.169 local terms energy: -236.255535 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -42.589 flat angles C4'-P-C4' energy: -54.680 flat angles P-C4'-P energy: -34.599 tors. eta vs tors. theta energy: -49.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -601.651943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.651943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.651943 (E_RNA) where: Base-Base interactions energy: -380.441 where: short stacking energy: -157.878 Base-Backbone interact. energy: 0.318 local terms energy: -221.528853 where: bonds (distance) C4'-P energy: -49.210 bonds (distance) P-C4' energy: -55.773 flat angles C4'-P-C4' energy: -51.371 flat angles P-C4'-P energy: -40.456 tors. eta vs tors. theta energy: -24.719 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: 8, replica: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -510.344371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.344371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.344371 (E_RNA) where: Base-Base interactions energy: -305.468 where: short stacking energy: -154.063 Base-Backbone interact. energy: -0.432 local terms energy: -204.444164 where: bonds (distance) C4'-P energy: -49.658 bonds (distance) P-C4' energy: -47.974 flat angles C4'-P-C4' energy: -54.449 flat angles P-C4'-P energy: -35.180 tors. eta vs tors. theta energy: -17.183 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: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -414.592625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.592625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.592625 (E_RNA) where: Base-Base interactions energy: -226.490 where: short stacking energy: -98.123 Base-Backbone interact. energy: -2.285 local terms energy: -185.817904 where: bonds (distance) C4'-P energy: -57.835 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -36.914 flat angles P-C4'-P energy: -27.209 tors. eta vs tors. theta energy: -9.419 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: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -387.238937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.238937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.238937 (E_RNA) where: Base-Base interactions energy: -215.197 where: short stacking energy: -118.098 Base-Backbone interact. energy: 2.596 local terms energy: -174.637933 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -44.980 flat angles C4'-P-C4' energy: -43.331 flat angles P-C4'-P energy: -30.143 tors. eta vs tors. theta energy: -8.560 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: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1021.191111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.191111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.191111 (E_RNA) where: Base-Base interactions energy: -724.268 where: short stacking energy: -316.191 Base-Backbone interact. energy: -0.109 local terms energy: -296.813942 where: bonds (distance) C4'-P energy: -51.535 bonds (distance) P-C4' energy: -59.403 flat angles C4'-P-C4' energy: -56.804 flat angles P-C4'-P energy: -46.010 tors. eta vs tors. theta energy: -83.062 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: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -953.279184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.279184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.279184 (E_RNA) where: Base-Base interactions energy: -665.723 where: short stacking energy: -290.113 Base-Backbone interact. energy: -2.628 local terms energy: -284.928114 where: bonds (distance) C4'-P energy: -46.631 bonds (distance) P-C4' energy: -62.239 flat angles C4'-P-C4' energy: -60.696 flat angles P-C4'-P energy: -39.499 tors. eta vs tors. theta energy: -75.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -908.639001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.639001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.639001 (E_RNA) where: Base-Base interactions energy: -617.410 where: short stacking energy: -267.853 Base-Backbone interact. energy: 0.330 local terms energy: -291.559835 where: bonds (distance) C4'-P energy: -62.859 bonds (distance) P-C4' energy: -64.355 flat angles C4'-P-C4' energy: -64.989 flat angles P-C4'-P energy: -26.790 tors. eta vs tors. theta energy: -72.567 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: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -851.246830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.246830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.246830 (E_RNA) where: Base-Base interactions energy: -583.525 where: short stacking energy: -263.516 Base-Backbone interact. energy: -1.258 local terms energy: -266.464023 where: bonds (distance) C4'-P energy: -49.725 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -62.762 flat angles P-C4'-P energy: -28.484 tors. eta vs tors. theta energy: -69.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -856.311954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.311954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.311954 (E_RNA) where: Base-Base interactions energy: -574.617 where: short stacking energy: -279.985 Base-Backbone interact. energy: -1.518 local terms energy: -280.176931 where: bonds (distance) C4'-P energy: -52.835 bonds (distance) P-C4' energy: -51.369 flat angles C4'-P-C4' energy: -58.745 flat angles P-C4'-P energy: -37.532 tors. eta vs tors. theta energy: -79.696 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -719.913434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.913434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.913434 (E_RNA) where: Base-Base interactions energy: -462.844 where: short stacking energy: -210.975 Base-Backbone interact. energy: 0.014 local terms energy: -257.082871 where: bonds (distance) C4'-P energy: -47.356 bonds (distance) P-C4' energy: -61.023 flat angles C4'-P-C4' energy: -65.712 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -48.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -654.627958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.627958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.627958 (E_RNA) where: Base-Base interactions energy: -430.562 where: short stacking energy: -191.368 Base-Backbone interact. energy: -0.409 local terms energy: -223.657425 where: bonds (distance) C4'-P energy: -46.582 bonds (distance) P-C4' energy: -50.620 flat angles C4'-P-C4' energy: -44.831 flat angles P-C4'-P energy: -33.779 tors. eta vs tors. theta energy: -47.845 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: 51 Temperature: 1.250000 Total energy: -551.417021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.417021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.417021 (E_RNA) where: Base-Base interactions energy: -330.038 where: short stacking energy: -161.046 Base-Backbone interact. energy: -2.141 local terms energy: -219.237795 where: bonds (distance) C4'-P energy: -51.028 bonds (distance) P-C4' energy: -55.553 flat angles C4'-P-C4' energy: -48.025 flat angles P-C4'-P energy: -37.585 tors. eta vs tors. theta energy: -27.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -380.493972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.493972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.493972 (E_RNA) where: Base-Base interactions energy: -206.981 where: short stacking energy: -110.592 Base-Backbone interact. energy: 3.580 local terms energy: -177.093148 where: bonds (distance) C4'-P energy: -49.376 bonds (distance) P-C4' energy: -58.927 flat angles C4'-P-C4' energy: -46.913 flat angles P-C4'-P energy: -14.247 tors. eta vs tors. theta energy: -7.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -274.742743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.742743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.742743 (E_RNA) where: Base-Base interactions energy: -110.099 where: short stacking energy: -86.931 Base-Backbone interact. energy: -0.746 local terms energy: -163.897881 where: bonds (distance) C4'-P energy: -49.677 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -43.979 flat angles P-C4'-P energy: -22.625 tors. eta vs tors. theta energy: 6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1024.421285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.421285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.421285 (E_RNA) where: Base-Base interactions energy: -712.477 where: short stacking energy: -309.926 Base-Backbone interact. energy: -0.620 local terms energy: -311.324228 where: bonds (distance) C4'-P energy: -51.788 bonds (distance) P-C4' energy: -61.166 flat angles C4'-P-C4' energy: -67.407 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -81.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -973.068501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.068501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.068501 (E_RNA) where: Base-Base interactions energy: -693.279 where: short stacking energy: -304.052 Base-Backbone interact. energy: 1.707 local terms energy: -281.495948 where: bonds (distance) C4'-P energy: -55.381 bonds (distance) P-C4' energy: -61.586 flat angles C4'-P-C4' energy: -58.950 flat angles P-C4'-P energy: -27.685 tors. eta vs tors. theta energy: -77.894 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: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -903.197941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.197941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.197941 (E_RNA) where: Base-Base interactions energy: -623.219 where: short stacking energy: -256.896 Base-Backbone interact. energy: -1.562 local terms energy: -278.417107 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -59.047 flat angles C4'-P-C4' energy: -53.939 flat angles P-C4'-P energy: -31.954 tors. eta vs tors. theta energy: -74.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -867.315119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.315119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.315119 (E_RNA) where: Base-Base interactions energy: -586.570 where: short stacking energy: -274.322 Base-Backbone interact. energy: 1.575 local terms energy: -282.320477 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -53.333 flat angles C4'-P-C4' energy: -60.133 flat angles P-C4'-P energy: -29.076 tors. eta vs tors. theta energy: -79.326 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: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -860.161492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.161492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.161492 (E_RNA) where: Base-Base interactions energy: -595.235 where: short stacking energy: -274.191 Base-Backbone interact. energy: -1.351 local terms energy: -263.575119 where: bonds (distance) C4'-P energy: -40.943 bonds (distance) P-C4' energy: -58.919 flat angles C4'-P-C4' energy: -53.295 flat angles P-C4'-P energy: -37.368 tors. eta vs tors. theta energy: -73.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -702.513558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.513558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.513558 (E_RNA) where: Base-Base interactions energy: -463.078 where: short stacking energy: -210.663 Base-Backbone interact. energy: -0.743 local terms energy: -238.692504 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -39.155 flat angles C4'-P-C4' energy: -62.038 flat angles P-C4'-P energy: -36.868 tors. eta vs tors. theta energy: -47.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -708.784738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.784738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.784738 (E_RNA) where: Base-Base interactions energy: -466.408 where: short stacking energy: -219.834 Base-Backbone interact. energy: -1.151 local terms energy: -241.226166 where: bonds (distance) C4'-P energy: -45.751 bonds (distance) P-C4' energy: -46.279 flat angles C4'-P-C4' energy: -46.327 flat angles P-C4'-P energy: -37.499 tors. eta vs tors. theta energy: -65.371 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: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -525.385975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.385975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.385975 (E_RNA) where: Base-Base interactions energy: -296.341 where: short stacking energy: -155.013 Base-Backbone interact. energy: 3.194 local terms energy: -232.239784 where: bonds (distance) C4'-P energy: -48.722 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -60.727 flat angles P-C4'-P energy: -31.705 tors. eta vs tors. theta energy: -27.254 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: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -378.394871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.394871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.394871 (E_RNA) where: Base-Base interactions energy: -211.346 where: short stacking energy: -110.664 Base-Backbone interact. energy: 0.521 local terms energy: -167.570184 where: bonds (distance) C4'-P energy: -36.003 bonds (distance) P-C4' energy: -54.903 flat angles C4'-P-C4' energy: -44.803 flat angles P-C4'-P energy: -36.580 tors. eta vs tors. theta energy: 4.720 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: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -274.041379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.041379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.041379 (E_RNA) where: Base-Base interactions energy: -105.229 where: short stacking energy: -103.209 Base-Backbone interact. energy: -0.580 local terms energy: -168.232307 where: bonds (distance) C4'-P energy: -42.951 bonds (distance) P-C4' energy: -48.860 flat angles C4'-P-C4' energy: -45.542 flat angles P-C4'-P energy: -22.084 tors. eta vs tors. theta energy: -8.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1020.228921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.228921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.228921 (E_RNA) where: Base-Base interactions energy: -706.950 where: short stacking energy: -309.386 Base-Backbone interact. energy: -1.489 local terms energy: -311.789720 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -62.811 flat angles C4'-P-C4' energy: -65.087 flat angles P-C4'-P energy: -43.040 tors. eta vs tors. theta energy: -83.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -992.537390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.537390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.537390 (E_RNA) where: Base-Base interactions energy: -683.395 where: short stacking energy: -303.137 Base-Backbone interact. energy: -1.415 local terms energy: -307.727271 where: bonds (distance) C4'-P energy: -59.319 bonds (distance) P-C4' energy: -60.538 flat angles C4'-P-C4' energy: -65.780 flat angles P-C4'-P energy: -36.640 tors. eta vs tors. theta energy: -85.451 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: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -898.129958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.129958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.129958 (E_RNA) where: Base-Base interactions energy: -620.398 where: short stacking energy: -259.250 Base-Backbone interact. energy: -2.732 local terms energy: -274.999087 where: bonds (distance) C4'-P energy: -52.432 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -58.437 flat angles P-C4'-P energy: -39.949 tors. eta vs tors. theta energy: -71.050 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: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -876.556982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.556982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.556982 (E_RNA) where: Base-Base interactions energy: -592.749 where: short stacking energy: -287.670 Base-Backbone interact. energy: 0.568 local terms energy: -284.376358 where: bonds (distance) C4'-P energy: -52.842 bonds (distance) P-C4' energy: -64.634 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -31.374 tors. eta vs tors. theta energy: -72.686 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -841.872419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.872419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.872419 (E_RNA) where: Base-Base interactions energy: -561.203 where: short stacking energy: -262.813 Base-Backbone interact. energy: 0.043 local terms energy: -280.712812 where: bonds (distance) C4'-P energy: -53.994 bonds (distance) P-C4' energy: -63.732 flat angles C4'-P-C4' energy: -63.074 flat angles P-C4'-P energy: -27.608 tors. eta vs tors. theta energy: -72.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -751.312883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.312883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.312883 (E_RNA) where: Base-Base interactions energy: -501.945 where: short stacking energy: -226.242 Base-Backbone interact. energy: -0.177 local terms energy: -249.190360 where: bonds (distance) C4'-P energy: -42.816 bonds (distance) P-C4' energy: -50.387 flat angles C4'-P-C4' energy: -64.214 flat angles P-C4'-P energy: -33.377 tors. eta vs tors. theta energy: -58.397 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: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -679.812391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.812391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.812391 (E_RNA) where: Base-Base interactions energy: -451.618 where: short stacking energy: -209.677 Base-Backbone interact. energy: 2.228 local terms energy: -230.422178 where: bonds (distance) C4'-P energy: -45.815 bonds (distance) P-C4' energy: -51.443 flat angles C4'-P-C4' energy: -57.745 flat angles P-C4'-P energy: -31.831 tors. eta vs tors. theta energy: -43.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -531.286433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.286433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.286433 (E_RNA) where: Base-Base interactions energy: -337.726 where: short stacking energy: -185.021 Base-Backbone interact. energy: 1.347 local terms energy: -194.907163 where: bonds (distance) C4'-P energy: -47.366 bonds (distance) P-C4' energy: -39.138 flat angles C4'-P-C4' energy: -43.392 flat angles P-C4'-P energy: -24.429 tors. eta vs tors. theta energy: -40.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -370.236833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.236833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.236833 (E_RNA) where: Base-Base interactions energy: -198.433 where: short stacking energy: -109.652 Base-Backbone interact. energy: 1.162 local terms energy: -172.965809 where: bonds (distance) C4'-P energy: -44.706 bonds (distance) P-C4' energy: -46.477 flat angles C4'-P-C4' energy: -37.044 flat angles P-C4'-P energy: -32.871 tors. eta vs tors. theta energy: -11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -253.615834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.615834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.615834 (E_RNA) where: Base-Base interactions energy: -97.238 where: short stacking energy: -57.723 Base-Backbone interact. energy: 2.654 local terms energy: -159.032379 where: bonds (distance) C4'-P energy: -45.596 bonds (distance) P-C4' energy: -53.456 flat angles C4'-P-C4' energy: -35.501 flat angles P-C4'-P energy: -27.565 tors. eta vs tors. theta energy: 3.086 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: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1013.184108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.184108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.184108 (E_RNA) where: Base-Base interactions energy: -698.512 where: short stacking energy: -302.113 Base-Backbone interact. energy: -1.574 local terms energy: -313.097686 where: bonds (distance) C4'-P energy: -51.049 bonds (distance) P-C4' energy: -69.023 flat angles C4'-P-C4' energy: -68.991 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -83.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1027.710438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.710438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.710438 (E_RNA) where: Base-Base interactions energy: -730.040 where: short stacking energy: -309.418 Base-Backbone interact. energy: 0.966 local terms energy: -298.636869 where: bonds (distance) C4'-P energy: -52.523 bonds (distance) P-C4' energy: -60.147 flat angles C4'-P-C4' energy: -63.351 flat angles P-C4'-P energy: -45.165 tors. eta vs tors. theta energy: -77.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -937.182701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.182701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.182701 (E_RNA) where: Base-Base interactions energy: -617.654 where: short stacking energy: -289.764 Base-Backbone interact. energy: -0.077 local terms energy: -319.451538 where: bonds (distance) C4'-P energy: -59.198 bonds (distance) P-C4' energy: -55.509 flat angles C4'-P-C4' energy: -69.349 flat angles P-C4'-P energy: -42.896 tors. eta vs tors. theta energy: -92.501 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: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -892.602072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.602072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.602072 (E_RNA) where: Base-Base interactions energy: -604.407 where: short stacking energy: -267.622 Base-Backbone interact. energy: -2.493 local terms energy: -285.701581 where: bonds (distance) C4'-P energy: -59.828 bonds (distance) P-C4' energy: -46.179 flat angles C4'-P-C4' energy: -64.973 flat angles P-C4'-P energy: -37.085 tors. eta vs tors. theta energy: -77.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -834.619122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.619122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.619122 (E_RNA) where: Base-Base interactions energy: -554.125 where: short stacking energy: -252.821 Base-Backbone interact. energy: -0.354 local terms energy: -280.139491 where: bonds (distance) C4'-P energy: -58.959 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -42.157 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: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -714.723713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.723713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.723713 (E_RNA) where: Base-Base interactions energy: -455.069 where: short stacking energy: -215.686 Base-Backbone interact. energy: 0.730 local terms energy: -260.384523 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -60.935 flat angles C4'-P-C4' energy: -53.652 flat angles P-C4'-P energy: -30.038 tors. eta vs tors. theta energy: -58.161 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: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -544.148245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.148245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.148245 (E_RNA) where: Base-Base interactions energy: -338.629 where: short stacking energy: -170.606 Base-Backbone interact. energy: 3.281 local terms energy: -208.800553 where: bonds (distance) C4'-P energy: -41.350 bonds (distance) P-C4' energy: -55.041 flat angles C4'-P-C4' energy: -42.082 flat angles P-C4'-P energy: -29.820 tors. eta vs tors. theta energy: -40.508 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: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -612.678007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.678007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.678007 (E_RNA) where: Base-Base interactions energy: -376.779 where: short stacking energy: -187.013 Base-Backbone interact. energy: -1.372 local terms energy: -234.526669 where: bonds (distance) C4'-P energy: -52.406 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -48.889 flat angles P-C4'-P energy: -30.191 tors. eta vs tors. theta energy: -41.692 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: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -377.629991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.629991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.629991 (E_RNA) where: Base-Base interactions energy: -198.333 where: short stacking energy: -119.174 Base-Backbone interact. energy: -2.023 local terms energy: -177.274434 where: bonds (distance) C4'-P energy: -45.054 bonds (distance) P-C4' energy: -47.935 flat angles C4'-P-C4' energy: -55.519 flat angles P-C4'-P energy: -19.751 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -268.696075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.696075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.696075 (E_RNA) where: Base-Base interactions energy: -107.502 where: short stacking energy: -65.146 Base-Backbone interact. energy: 1.258 local terms energy: -162.451508 where: bonds (distance) C4'-P energy: -53.961 bonds (distance) P-C4' energy: -62.574 flat angles C4'-P-C4' energy: -38.208 flat angles P-C4'-P energy: -15.646 tors. eta vs tors. theta energy: 7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -999.256450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.256450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.256450 (E_RNA) where: Base-Base interactions energy: -699.354 where: short stacking energy: -292.042 Base-Backbone interact. energy: 0.194 local terms energy: -300.096439 where: bonds (distance) C4'-P energy: -58.193 bonds (distance) P-C4' energy: -57.459 flat angles C4'-P-C4' energy: -61.608 flat angles P-C4'-P energy: -37.855 tors. eta vs tors. theta energy: -84.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1018.921382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.921382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.921382 (E_RNA) where: Base-Base interactions energy: -709.012 where: short stacking energy: -298.595 Base-Backbone interact. energy: -0.303 local terms energy: -309.605935 where: bonds (distance) C4'-P energy: -58.804 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -62.263 flat angles P-C4'-P energy: -47.248 tors. eta vs tors. theta energy: -78.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -917.514518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.514518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.514518 (E_RNA) where: Base-Base interactions energy: -608.795 where: short stacking energy: -280.660 Base-Backbone interact. energy: -0.531 local terms energy: -308.188541 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -56.086 flat angles C4'-P-C4' energy: -65.997 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: -87.222 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: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -887.828930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.828930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.828930 (E_RNA) where: Base-Base interactions energy: -615.336 where: short stacking energy: -257.299 Base-Backbone interact. energy: 0.434 local terms energy: -272.927083 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -59.226 flat angles C4'-P-C4' energy: -56.806 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: -71.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -824.289678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.289678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.289678 (E_RNA) where: Base-Base interactions energy: -570.761 where: short stacking energy: -259.381 Base-Backbone interact. energy: -1.767 local terms energy: -251.761543 where: bonds (distance) C4'-P energy: -47.434 bonds (distance) P-C4' energy: -48.162 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -33.754 tors. eta vs tors. theta energy: -65.717 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: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -726.922896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.922896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.922896 (E_RNA) where: Base-Base interactions energy: -475.143 where: short stacking energy: -232.691 Base-Backbone interact. energy: -0.411 local terms energy: -251.368821 where: bonds (distance) C4'-P energy: -43.049 bonds (distance) P-C4' energy: -44.879 flat angles C4'-P-C4' energy: -65.054 flat angles P-C4'-P energy: -33.500 tors. eta vs tors. theta energy: -64.887 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: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -581.672507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.672507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.672507 (E_RNA) where: Base-Base interactions energy: -336.605 where: short stacking energy: -173.123 Base-Backbone interact. energy: -0.019 local terms energy: -245.049033 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -54.302 flat angles C4'-P-C4' energy: -59.269 flat angles P-C4'-P energy: -31.118 tors. eta vs tors. theta energy: -44.930 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: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -544.687702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.687702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.687702 (E_RNA) where: Base-Base interactions energy: -331.232 where: short stacking energy: -170.642 Base-Backbone interact. energy: -0.367 local terms energy: -213.088869 where: bonds (distance) C4'-P energy: -40.697 bonds (distance) P-C4' energy: -57.715 flat angles C4'-P-C4' energy: -50.494 flat angles P-C4'-P energy: -31.589 tors. eta vs tors. theta energy: -32.594 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: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -383.556780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.556780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.556780 (E_RNA) where: Base-Base interactions energy: -208.072 where: short stacking energy: -118.573 Base-Backbone interact. energy: -1.329 local terms energy: -174.155807 where: bonds (distance) C4'-P energy: -52.557 bonds (distance) P-C4' energy: -55.942 flat angles C4'-P-C4' energy: -35.775 flat angles P-C4'-P energy: -26.946 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -311.528065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.528065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.528065 (E_RNA) where: Base-Base interactions energy: -150.636 where: short stacking energy: -80.210 Base-Backbone interact. energy: -1.124 local terms energy: -159.769023 where: bonds (distance) C4'-P energy: -48.115 bonds (distance) P-C4' energy: -47.473 flat angles C4'-P-C4' energy: -43.766 flat angles P-C4'-P energy: -27.740 tors. eta vs tors. theta energy: 7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1043.404878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.404878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.404878 (E_RNA) where: Base-Base interactions energy: -738.155 where: short stacking energy: -303.009 Base-Backbone interact. energy: -1.075 local terms energy: -304.174334 where: bonds (distance) C4'-P energy: -62.309 bonds (distance) P-C4' energy: -57.808 flat angles C4'-P-C4' energy: -62.639 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -74.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -972.181906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.181906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.181906 (E_RNA) where: Base-Base interactions energy: -651.962 where: short stacking energy: -284.303 Base-Backbone interact. energy: -0.399 local terms energy: -319.820389 where: bonds (distance) C4'-P energy: -63.771 bonds (distance) P-C4' energy: -64.018 flat angles C4'-P-C4' energy: -69.931 flat angles P-C4'-P energy: -43.087 tors. eta vs tors. theta energy: -79.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -916.932656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.932656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.932656 (E_RNA) where: Base-Base interactions energy: -621.117 where: short stacking energy: -269.927 Base-Backbone interact. energy: -0.827 local terms energy: -294.988738 where: bonds (distance) C4'-P energy: -62.946 bonds (distance) P-C4' energy: -51.348 flat angles C4'-P-C4' energy: -60.825 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -75.993 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: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -884.041412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.041412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.041412 (E_RNA) where: Base-Base interactions energy: -597.521 where: short stacking energy: -266.799 Base-Backbone interact. energy: -1.814 local terms energy: -284.706617 where: bonds (distance) C4'-P energy: -52.120 bonds (distance) P-C4' energy: -57.722 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -37.965 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: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -813.165026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.165026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.165026 (E_RNA) where: Base-Base interactions energy: -537.022 where: short stacking energy: -245.845 Base-Backbone interact. energy: -0.691 local terms energy: -275.451801 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -57.572 flat angles C4'-P-C4' energy: -60.043 flat angles P-C4'-P energy: -31.183 tors. eta vs tors. theta energy: -68.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -751.182874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.182874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.182874 (E_RNA) where: Base-Base interactions energy: -499.464 where: short stacking energy: -213.153 Base-Backbone interact. energy: -1.524 local terms energy: -250.194749 where: bonds (distance) C4'-P energy: -51.416 bonds (distance) P-C4' energy: -56.327 flat angles C4'-P-C4' energy: -57.297 flat angles P-C4'-P energy: -31.129 tors. eta vs tors. theta energy: -54.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -560.618952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.618952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.618952 (E_RNA) where: Base-Base interactions energy: -330.586 where: short stacking energy: -146.979 Base-Backbone interact. energy: -1.308 local terms energy: -228.725356 where: bonds (distance) C4'-P energy: -57.192 bonds (distance) P-C4' energy: -55.623 flat angles C4'-P-C4' energy: -46.973 flat angles P-C4'-P energy: -37.226 tors. eta vs tors. theta energy: -31.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -535.087864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.087864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.087864 (E_RNA) where: Base-Base interactions energy: -319.250 where: short stacking energy: -168.012 Base-Backbone interact. energy: 2.863 local terms energy: -218.700477 where: bonds (distance) C4'-P energy: -47.562 bonds (distance) P-C4' energy: -59.709 flat angles C4'-P-C4' energy: -51.288 flat angles P-C4'-P energy: -24.119 tors. eta vs tors. theta energy: -36.023 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: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -349.700881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.700881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.700881 (E_RNA) where: Base-Base interactions energy: -185.902 where: short stacking energy: -108.237 Base-Backbone interact. energy: 1.378 local terms energy: -165.177259 where: bonds (distance) C4'-P energy: -43.525 bonds (distance) P-C4' energy: -50.944 flat angles C4'-P-C4' energy: -40.187 flat angles P-C4'-P energy: -20.344 tors. eta vs tors. theta energy: -10.178 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: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -368.543449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.543449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.543449 (E_RNA) where: Base-Base interactions energy: -186.994 where: short stacking energy: -116.700 Base-Backbone interact. energy: -0.859 local terms energy: -180.690493 where: bonds (distance) C4'-P energy: -42.359 bonds (distance) P-C4' energy: -57.977 flat angles C4'-P-C4' energy: -47.986 flat angles P-C4'-P energy: -26.108 tors. eta vs tors. theta energy: -6.260 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: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1047.575725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.575725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.575725 (E_RNA) where: Base-Base interactions energy: -749.464 where: short stacking energy: -306.418 Base-Backbone interact. energy: -0.655 local terms energy: -297.456276 where: bonds (distance) C4'-P energy: -59.626 bonds (distance) P-C4' energy: -56.862 flat angles C4'-P-C4' energy: -66.788 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -81.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -936.425209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.425209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.425209 (E_RNA) where: Base-Base interactions energy: -632.190 where: short stacking energy: -285.230 Base-Backbone interact. energy: -0.295 local terms energy: -303.939805 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -60.081 flat angles C4'-P-C4' energy: -64.393 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -73.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -942.112910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.112910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.112910 (E_RNA) where: Base-Base interactions energy: -634.666 where: short stacking energy: -268.534 Base-Backbone interact. energy: -1.003 local terms energy: -306.444722 where: bonds (distance) C4'-P energy: -55.935 bonds (distance) P-C4' energy: -65.616 flat angles C4'-P-C4' energy: -65.325 flat angles P-C4'-P energy: -37.707 tors. eta vs tors. theta energy: -81.861 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: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -896.675571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.675571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.675571 (E_RNA) where: Base-Base interactions energy: -607.288 where: short stacking energy: -271.723 Base-Backbone interact. energy: -0.464 local terms energy: -288.923692 where: bonds (distance) C4'-P energy: -49.730 bonds (distance) P-C4' energy: -63.233 flat angles C4'-P-C4' energy: -57.117 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -74.686 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: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -829.977338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.977338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.977338 (E_RNA) where: Base-Base interactions energy: -563.164 where: short stacking energy: -252.500 Base-Backbone interact. energy: -0.294 local terms energy: -266.518980 where: bonds (distance) C4'-P energy: -54.014 bonds (distance) P-C4' energy: -60.656 flat angles C4'-P-C4' energy: -55.956 flat angles P-C4'-P energy: -25.409 tors. eta vs tors. theta energy: -70.484 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: 57 Temperature: 1.150000 Total energy: -737.239722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.239722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.239722 (E_RNA) where: Base-Base interactions energy: -487.142 where: short stacking energy: -221.982 Base-Backbone interact. energy: -0.487 local terms energy: -249.610912 where: bonds (distance) C4'-P energy: -49.719 bonds (distance) P-C4' energy: -55.522 flat angles C4'-P-C4' energy: -56.010 flat angles P-C4'-P energy: -33.026 tors. eta vs tors. theta energy: -55.334 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: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -635.102000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.102000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.102000 (E_RNA) where: Base-Base interactions energy: -398.929 where: short stacking energy: -183.447 Base-Backbone interact. energy: -1.274 local terms energy: -234.899551 where: bonds (distance) C4'-P energy: -38.945 bonds (distance) P-C4' energy: -57.371 flat angles C4'-P-C4' energy: -58.058 flat angles P-C4'-P energy: -34.394 tors. eta vs tors. theta energy: -46.132 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: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -364.866900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.866900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.866900 (E_RNA) where: Base-Base interactions energy: -182.401 where: short stacking energy: -103.717 Base-Backbone interact. energy: 0.948 local terms energy: -183.413234 where: bonds (distance) C4'-P energy: -44.600 bonds (distance) P-C4' energy: -54.415 flat angles C4'-P-C4' energy: -47.349 flat angles P-C4'-P energy: -29.373 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -519.882390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.882390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.882390 (E_RNA) where: Base-Base interactions energy: -307.569 where: short stacking energy: -162.106 Base-Backbone interact. energy: 1.132 local terms energy: -213.445433 where: bonds (distance) C4'-P energy: -43.806 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -39.553 flat angles P-C4'-P energy: -30.669 tors. eta vs tors. theta energy: -38.222 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: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -344.679492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.679492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.679492 (E_RNA) where: Base-Base interactions energy: -150.568 where: short stacking energy: -89.257 Base-Backbone interact. energy: 2.530 local terms energy: -196.641505 where: bonds (distance) C4'-P energy: -57.574 bonds (distance) P-C4' energy: -63.342 flat angles C4'-P-C4' energy: -44.285 flat angles P-C4'-P energy: -31.999 tors. eta vs tors. theta energy: 0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1042.108043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.108043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.108043 (E_RNA) where: Base-Base interactions energy: -736.247 where: short stacking energy: -306.005 Base-Backbone interact. energy: -3.028 local terms energy: -302.832650 where: bonds (distance) C4'-P energy: -54.379 bonds (distance) P-C4' energy: -63.657 flat angles C4'-P-C4' energy: -63.448 flat angles P-C4'-P energy: -38.809 tors. eta vs tors. theta energy: -82.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -911.122464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.122464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.122464 (E_RNA) where: Base-Base interactions energy: -618.712 where: short stacking energy: -277.036 Base-Backbone interact. energy: -1.481 local terms energy: -290.929649 where: bonds (distance) C4'-P energy: -58.946 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -61.541 flat angles P-C4'-P energy: -37.111 tors. eta vs tors. theta energy: -78.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -962.192785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.192785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.192785 (E_RNA) where: Base-Base interactions energy: -657.139 where: short stacking energy: -286.090 Base-Backbone interact. energy: 1.043 local terms energy: -306.096065 where: bonds (distance) C4'-P energy: -61.315 bonds (distance) P-C4' energy: -61.520 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -82.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -886.030619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.030619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.030619 (E_RNA) where: Base-Base interactions energy: -600.157 where: short stacking energy: -265.004 Base-Backbone interact. energy: -0.631 local terms energy: -285.242468 where: bonds (distance) C4'-P energy: -55.932 bonds (distance) P-C4' energy: -58.883 flat angles C4'-P-C4' energy: -56.271 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -67.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -880.554291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.554291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.554291 (E_RNA) where: Base-Base interactions energy: -577.982 where: short stacking energy: -256.793 Base-Backbone interact. energy: 1.341 local terms energy: -303.913902 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -62.961 flat angles C4'-P-C4' energy: -60.428 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -76.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -768.274246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.274246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.274246 (E_RNA) where: Base-Base interactions energy: -501.745 where: short stacking energy: -230.466 Base-Backbone interact. energy: -0.652 local terms energy: -265.877804 where: bonds (distance) C4'-P energy: -56.623 bonds (distance) P-C4' energy: -57.292 flat angles C4'-P-C4' energy: -55.362 flat angles P-C4'-P energy: -30.042 tors. eta vs tors. theta energy: -66.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -593.084565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.084565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.084565 (E_RNA) where: Base-Base interactions energy: -373.578 where: short stacking energy: -176.488 Base-Backbone interact. energy: 0.084 local terms energy: -219.590368 where: bonds (distance) C4'-P energy: -45.125 bonds (distance) P-C4' energy: -45.992 flat angles C4'-P-C4' energy: -64.148 flat angles P-C4'-P energy: -32.675 tors. eta vs tors. theta energy: -31.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -384.346099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.346099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.346099 (E_RNA) where: Base-Base interactions energy: -174.144 where: short stacking energy: -110.654 Base-Backbone interact. energy: 1.661 local terms energy: -211.863603 where: bonds (distance) C4'-P energy: -42.350 bonds (distance) P-C4' energy: -68.598 flat angles C4'-P-C4' energy: -46.933 flat angles P-C4'-P energy: -36.684 tors. eta vs tors. theta energy: -17.299 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: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -519.155596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.155596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.155596 (E_RNA) where: Base-Base interactions energy: -289.386 where: short stacking energy: -159.980 Base-Backbone interact. energy: 1.973 local terms energy: -231.743208 where: bonds (distance) C4'-P energy: -46.419 bonds (distance) P-C4' energy: -52.975 flat angles C4'-P-C4' energy: -52.712 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -38.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -344.108833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.108833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.108833 (E_RNA) where: Base-Base interactions energy: -190.588 where: short stacking energy: -111.965 Base-Backbone interact. energy: -0.663 local terms energy: -152.857442 where: bonds (distance) C4'-P energy: -39.516 bonds (distance) P-C4' energy: -56.033 flat angles C4'-P-C4' energy: -30.648 flat angles P-C4'-P energy: -25.996 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: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1062.078298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.078298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.078298 (E_RNA) where: Base-Base interactions energy: -739.483 where: short stacking energy: -333.361 Base-Backbone interact. energy: -1.980 local terms energy: -320.615176 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -64.417 flat angles C4'-P-C4' energy: -68.239 flat angles P-C4'-P energy: -38.275 tors. eta vs tors. theta energy: -87.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -979.657531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.657531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.657531 (E_RNA) where: Base-Base interactions energy: -674.907 where: short stacking energy: -285.548 Base-Backbone interact. energy: 2.579 local terms energy: -307.329797 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -53.741 flat angles C4'-P-C4' energy: -69.810 flat angles P-C4'-P energy: -41.999 tors. eta vs tors. theta energy: -82.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -906.820977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.820977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.820977 (E_RNA) where: Base-Base interactions energy: -609.460 where: short stacking energy: -287.865 Base-Backbone interact. energy: -1.548 local terms energy: -295.813024 where: bonds (distance) C4'-P energy: -53.033 bonds (distance) P-C4' energy: -66.556 flat angles C4'-P-C4' energy: -58.958 flat angles P-C4'-P energy: -40.539 tors. eta vs tors. theta energy: -76.727 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: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -887.279520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.279520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.279520 (E_RNA) where: Base-Base interactions energy: -602.455 where: short stacking energy: -281.121 Base-Backbone interact. energy: -0.637 local terms energy: -284.186981 where: bonds (distance) C4'-P energy: -50.213 bonds (distance) P-C4' energy: -61.259 flat angles C4'-P-C4' energy: -56.001 flat angles P-C4'-P energy: -35.752 tors. eta vs tors. theta energy: -80.961 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: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -849.903381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.903381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.903381 (E_RNA) where: Base-Base interactions energy: -576.081 where: short stacking energy: -275.377 Base-Backbone interact. energy: -0.516 local terms energy: -273.306633 where: bonds (distance) C4'-P energy: -52.089 bonds (distance) P-C4' energy: -51.427 flat angles C4'-P-C4' energy: -54.869 flat angles P-C4'-P energy: -40.824 tors. eta vs tors. theta energy: -74.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -750.622503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.622503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.622503 (E_RNA) where: Base-Base interactions energy: -496.464 where: short stacking energy: -232.517 Base-Backbone interact. energy: -0.860 local terms energy: -253.298350 where: bonds (distance) C4'-P energy: -52.040 bonds (distance) P-C4' energy: -56.286 flat angles C4'-P-C4' energy: -56.579 flat angles P-C4'-P energy: -30.402 tors. eta vs tors. theta energy: -57.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -613.110970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.110970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.110970 (E_RNA) where: Base-Base interactions energy: -387.061 where: short stacking energy: -182.402 Base-Backbone interact. energy: -2.623 local terms energy: -223.426955 where: bonds (distance) C4'-P energy: -53.902 bonds (distance) P-C4' energy: -44.208 flat angles C4'-P-C4' energy: -58.911 flat angles P-C4'-P energy: -35.910 tors. eta vs tors. theta energy: -30.495 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: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -539.803600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.803600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.803600 (E_RNA) where: Base-Base interactions energy: -342.774 where: short stacking energy: -168.713 Base-Backbone interact. energy: -0.795 local terms energy: -196.234702 where: bonds (distance) C4'-P energy: -51.914 bonds (distance) P-C4' energy: -44.202 flat angles C4'-P-C4' energy: -44.154 flat angles P-C4'-P energy: -27.003 tors. eta vs tors. theta energy: -28.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -397.405632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.405632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.405632 (E_RNA) where: Base-Base interactions energy: -202.268 where: short stacking energy: -118.562 Base-Backbone interact. energy: 0.472 local terms energy: -195.609074 where: bonds (distance) C4'-P energy: -54.285 bonds (distance) P-C4' energy: -57.660 flat angles C4'-P-C4' energy: -53.144 flat angles P-C4'-P energy: -24.125 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -346.363901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.363901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.363901 (E_RNA) where: Base-Base interactions energy: -186.895 where: short stacking energy: -99.406 Base-Backbone interact. energy: 2.042 local terms energy: -161.510695 where: bonds (distance) C4'-P energy: -53.109 bonds (distance) P-C4' energy: -43.652 flat angles C4'-P-C4' energy: -38.003 flat angles P-C4'-P energy: -22.985 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1041.009228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.009228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.009228 (E_RNA) where: Base-Base interactions energy: -729.017 where: short stacking energy: -318.982 Base-Backbone interact. energy: -0.180 local terms energy: -311.812647 where: bonds (distance) C4'-P energy: -55.970 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: -86.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -983.538697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.538697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.538697 (E_RNA) where: Base-Base interactions energy: -695.726 where: short stacking energy: -280.395 Base-Backbone interact. energy: 0.172 local terms energy: -287.984424 where: bonds (distance) C4'-P energy: -52.113 bonds (distance) P-C4' energy: -49.903 flat angles C4'-P-C4' energy: -67.951 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -75.991 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: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -905.836821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.836821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.836821 (E_RNA) where: Base-Base interactions energy: -634.332 where: short stacking energy: -280.207 Base-Backbone interact. energy: -0.327 local terms energy: -271.178216 where: bonds (distance) C4'-P energy: -45.864 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -59.677 flat angles P-C4'-P energy: -37.940 tors. eta vs tors. theta energy: -79.143 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: 4, replica: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -877.028241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.028241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.028241 (E_RNA) where: Base-Base interactions energy: -606.315 where: short stacking energy: -241.324 Base-Backbone interact. energy: -0.521 local terms energy: -270.192106 where: bonds (distance) C4'-P energy: -48.510 bonds (distance) P-C4' energy: -50.176 flat angles C4'-P-C4' energy: -58.432 flat angles P-C4'-P energy: -36.300 tors. eta vs tors. theta energy: -76.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -867.679818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.679818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.679818 (E_RNA) where: Base-Base interactions energy: -583.693 where: short stacking energy: -240.395 Base-Backbone interact. energy: 0.999 local terms energy: -284.985526 where: bonds (distance) C4'-P energy: -53.790 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -57.083 flat angles P-C4'-P energy: -42.083 tors. eta vs tors. theta energy: -69.330 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: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -744.313236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.313236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.313236 (E_RNA) where: Base-Base interactions energy: -485.968 where: short stacking energy: -247.644 Base-Backbone interact. energy: 0.496 local terms energy: -258.840793 where: bonds (distance) C4'-P energy: -53.298 bonds (distance) P-C4' energy: -50.068 flat angles C4'-P-C4' energy: -54.517 flat angles P-C4'-P energy: -32.531 tors. eta vs tors. theta energy: -68.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -666.196970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.196970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.196970 (E_RNA) where: Base-Base interactions energy: -428.658 where: short stacking energy: -216.331 Base-Backbone interact. energy: -0.397 local terms energy: -237.141871 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -52.303 flat angles C4'-P-C4' energy: -46.374 flat angles P-C4'-P energy: -35.172 tors. eta vs tors. theta energy: -52.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -568.111667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.111667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.111667 (E_RNA) where: Base-Base interactions energy: -364.932 where: short stacking energy: -197.041 Base-Backbone interact. energy: 0.191 local terms energy: -203.370274 where: bonds (distance) C4'-P energy: -38.298 bonds (distance) P-C4' energy: -42.004 flat angles C4'-P-C4' energy: -56.129 flat angles P-C4'-P energy: -27.045 tors. eta vs tors. theta energy: -39.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -369.998966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.998966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.998966 (E_RNA) where: Base-Base interactions energy: -183.873 where: short stacking energy: -106.530 Base-Backbone interact. energy: 0.956 local terms energy: -187.082879 where: bonds (distance) C4'-P energy: -49.489 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -44.852 flat angles P-C4'-P energy: -30.155 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -326.631038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.631038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.631038 (E_RNA) where: Base-Base interactions energy: -184.640 where: short stacking energy: -96.061 Base-Backbone interact. energy: 1.051 local terms energy: -143.041699 where: bonds (distance) C4'-P energy: -49.424 bonds (distance) P-C4' energy: -49.510 flat angles C4'-P-C4' energy: -19.394 flat angles P-C4'-P energy: -26.326 tors. eta vs tors. theta energy: 1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1047.872363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.872363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.872363 (E_RNA) where: Base-Base interactions energy: -736.378 where: short stacking energy: -324.412 Base-Backbone interact. energy: -0.979 local terms energy: -310.514794 where: bonds (distance) C4'-P energy: -61.303 bonds (distance) P-C4' energy: -66.564 flat angles C4'-P-C4' energy: -62.163 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -81.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -963.548068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.548068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.548068 (E_RNA) where: Base-Base interactions energy: -669.388 where: short stacking energy: -285.798 Base-Backbone interact. energy: -1.662 local terms energy: -292.498463 where: bonds (distance) C4'-P energy: -53.754 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -67.132 flat angles P-C4'-P energy: -41.285 tors. eta vs tors. theta energy: -68.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -926.251224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.251224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.251224 (E_RNA) where: Base-Base interactions energy: -631.358 where: short stacking energy: -286.429 Base-Backbone interact. energy: 0.082 local terms energy: -294.975387 where: bonds (distance) C4'-P energy: -52.239 bonds (distance) P-C4' energy: -62.477 flat angles C4'-P-C4' energy: -59.478 flat angles P-C4'-P energy: -42.415 tors. eta vs tors. theta energy: -78.366 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: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -899.219618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.219618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.219618 (E_RNA) where: Base-Base interactions energy: -626.242 where: short stacking energy: -261.820 Base-Backbone interact. energy: 0.049 local terms energy: -273.026959 where: bonds (distance) C4'-P energy: -54.155 bonds (distance) P-C4' energy: -54.612 flat angles C4'-P-C4' energy: -52.734 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: -73.173 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: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -849.964374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.964374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.964374 (E_RNA) where: Base-Base interactions energy: -574.012 where: short stacking energy: -245.812 Base-Backbone interact. energy: -0.816 local terms energy: -275.136293 where: bonds (distance) C4'-P energy: -44.441 bonds (distance) P-C4' energy: -63.953 flat angles C4'-P-C4' energy: -55.668 flat angles P-C4'-P energy: -34.403 tors. eta vs tors. theta energy: -76.671 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -718.256331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.256331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.256331 (E_RNA) where: Base-Base interactions energy: -462.294 where: short stacking energy: -214.238 Base-Backbone interact. energy: 0.829 local terms energy: -256.791058 where: bonds (distance) C4'-P energy: -53.007 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -44.515 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -60.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -608.833307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.833307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.833307 (E_RNA) where: Base-Base interactions energy: -361.606 where: short stacking energy: -188.701 Base-Backbone interact. energy: 0.809 local terms energy: -248.036313 where: bonds (distance) C4'-P energy: -50.382 bonds (distance) P-C4' energy: -55.196 flat angles C4'-P-C4' energy: -62.887 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: -43.443 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: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -515.820612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.820612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.820612 (E_RNA) where: Base-Base interactions energy: -324.729 where: short stacking energy: -146.658 Base-Backbone interact. energy: -0.190 local terms energy: -190.902284 where: bonds (distance) C4'-P energy: -52.723 bonds (distance) P-C4' energy: -43.894 flat angles C4'-P-C4' energy: -46.351 flat angles P-C4'-P energy: -23.551 tors. eta vs tors. theta energy: -24.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -383.745612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.745612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.745612 (E_RNA) where: Base-Base interactions energy: -187.783 where: short stacking energy: -107.001 Base-Backbone interact. energy: 0.833 local terms energy: -196.795436 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -56.630 flat angles C4'-P-C4' energy: -50.123 flat angles P-C4'-P energy: -29.100 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -351.726808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.726808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.726808 (E_RNA) where: Base-Base interactions energy: -195.436 where: short stacking energy: -114.167 Base-Backbone interact. energy: -0.888 local terms energy: -155.402193 where: bonds (distance) C4'-P energy: -44.510 bonds (distance) P-C4' energy: -30.229 flat angles C4'-P-C4' energy: -47.342 flat angles P-C4'-P energy: -31.163 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1043.686703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.686703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.686703 (E_RNA) where: Base-Base interactions energy: -748.289 where: short stacking energy: -319.348 Base-Backbone interact. energy: 0.815 local terms energy: -296.213295 where: bonds (distance) C4'-P energy: -61.428 bonds (distance) P-C4' energy: -49.134 flat angles C4'-P-C4' energy: -65.109 flat angles P-C4'-P energy: -39.489 tors. eta vs tors. theta energy: -81.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -966.759624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.759624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.759624 (E_RNA) where: Base-Base interactions energy: -674.337 where: short stacking energy: -289.302 Base-Backbone interact. energy: 0.677 local terms energy: -293.099138 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -32.786 tors. eta vs tors. theta energy: -79.719 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: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -918.706321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.706321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.706321 (E_RNA) where: Base-Base interactions energy: -620.842 where: short stacking energy: -291.243 Base-Backbone interact. energy: -2.131 local terms energy: -295.733619 where: bonds (distance) C4'-P energy: -51.006 bonds (distance) P-C4' energy: -52.852 flat angles C4'-P-C4' energy: -59.159 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -85.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -903.127609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.127609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.127609 (E_RNA) where: Base-Base interactions energy: -604.768 where: short stacking energy: -270.141 Base-Backbone interact. energy: -0.169 local terms energy: -298.190713 where: bonds (distance) C4'-P energy: -54.335 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -63.594 flat angles P-C4'-P energy: -43.353 tors. eta vs tors. theta energy: -76.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -855.217729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.217729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.217729 (E_RNA) where: Base-Base interactions energy: -564.214 where: short stacking energy: -262.370 Base-Backbone interact. energy: -0.859 local terms energy: -290.144019 where: bonds (distance) C4'-P energy: -56.504 bonds (distance) P-C4' energy: -53.604 flat angles C4'-P-C4' energy: -63.004 flat angles P-C4'-P energy: -41.983 tors. eta vs tors. theta energy: -75.049 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -733.620695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.620695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.620695 (E_RNA) where: Base-Base interactions energy: -462.681 where: short stacking energy: -201.949 Base-Backbone interact. energy: -0.310 local terms energy: -270.629379 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -56.944 flat angles C4'-P-C4' energy: -60.148 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -49.093 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: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -586.342866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.342866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.342866 (E_RNA) where: Base-Base interactions energy: -345.781 where: short stacking energy: -176.904 Base-Backbone interact. energy: 2.936 local terms energy: -243.498303 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -50.979 flat angles C4'-P-C4' energy: -55.787 flat angles P-C4'-P energy: -37.383 tors. eta vs tors. theta energy: -42.075 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: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -567.646039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.646039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.646039 (E_RNA) where: Base-Base interactions energy: -369.201 where: short stacking energy: -194.208 Base-Backbone interact. energy: 0.388 local terms energy: -198.833025 where: bonds (distance) C4'-P energy: -47.947 bonds (distance) P-C4' energy: -42.803 flat angles C4'-P-C4' energy: -43.818 flat angles P-C4'-P energy: -23.252 tors. eta vs tors. theta energy: -41.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -402.182989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.182989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.182989 (E_RNA) where: Base-Base interactions energy: -224.417 where: short stacking energy: -113.204 Base-Backbone interact. energy: -1.010 local terms energy: -176.756153 where: bonds (distance) C4'-P energy: -48.499 bonds (distance) P-C4' energy: -43.019 flat angles C4'-P-C4' energy: -51.214 flat angles P-C4'-P energy: -22.041 tors. eta vs tors. theta energy: -11.983 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: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -336.023635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.023635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.023635 (E_RNA) where: Base-Base interactions energy: -172.296 where: short stacking energy: -98.842 Base-Backbone interact. energy: 0.938 local terms energy: -164.666070 where: bonds (distance) C4'-P energy: -43.499 bonds (distance) P-C4' energy: -58.321 flat angles C4'-P-C4' energy: -40.986 flat angles P-C4'-P energy: -29.669 tors. eta vs tors. theta energy: 7.808 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: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1045.884336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.884336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.884336 (E_RNA) where: Base-Base interactions energy: -731.402 where: short stacking energy: -307.895 Base-Backbone interact. energy: 0.555 local terms energy: -315.037157 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -67.571 flat angles P-C4'-P energy: -45.883 tors. eta vs tors. theta energy: -81.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -960.903265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.903265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.903265 (E_RNA) where: Base-Base interactions energy: -679.948 where: short stacking energy: -275.838 Base-Backbone interact. energy: 1.774 local terms energy: -282.728729 where: bonds (distance) C4'-P energy: -46.827 bonds (distance) P-C4' energy: -62.443 flat angles C4'-P-C4' energy: -58.359 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -73.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -898.010462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.010462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.010462 (E_RNA) where: Base-Base interactions energy: -593.973 where: short stacking energy: -270.924 Base-Backbone interact. energy: -0.207 local terms energy: -303.830356 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -62.614 flat angles C4'-P-C4' energy: -63.890 flat angles P-C4'-P energy: -50.813 tors. eta vs tors. theta energy: -68.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -908.625637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.625637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.625637 (E_RNA) where: Base-Base interactions energy: -620.586 where: short stacking energy: -277.816 Base-Backbone interact. energy: 1.056 local terms energy: -289.095601 where: bonds (distance) C4'-P energy: -59.275 bonds (distance) P-C4' energy: -54.585 flat angles C4'-P-C4' energy: -56.728 flat angles P-C4'-P energy: -38.025 tors. eta vs tors. theta energy: -80.483 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -873.403600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.403600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.403600 (E_RNA) where: Base-Base interactions energy: -598.979 where: short stacking energy: -251.005 Base-Backbone interact. energy: -1.116 local terms energy: -273.308177 where: bonds (distance) C4'-P energy: -54.179 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -61.423 flat angles P-C4'-P energy: -34.689 tors. eta vs tors. theta energy: -64.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -677.049608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.049608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.049608 (E_RNA) where: Base-Base interactions energy: -431.849 where: short stacking energy: -209.543 Base-Backbone interact. energy: -0.969 local terms energy: -244.231282 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -41.624 flat angles C4'-P-C4' energy: -50.320 flat angles P-C4'-P energy: -38.780 tors. eta vs tors. theta energy: -53.792 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: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -578.962756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.962756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.962756 (E_RNA) where: Base-Base interactions energy: -338.177 where: short stacking energy: -179.883 Base-Backbone interact. energy: -0.656 local terms energy: -240.129165 where: bonds (distance) C4'-P energy: -53.997 bonds (distance) P-C4' energy: -46.550 flat angles C4'-P-C4' energy: -49.290 flat angles P-C4'-P energy: -44.806 tors. eta vs tors. theta energy: -45.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -571.868208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.868208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.868208 (E_RNA) where: Base-Base interactions energy: -363.658 where: short stacking energy: -162.908 Base-Backbone interact. energy: -1.560 local terms energy: -206.650103 where: bonds (distance) C4'-P energy: -54.329 bonds (distance) P-C4' energy: -45.852 flat angles C4'-P-C4' energy: -57.601 flat angles P-C4'-P energy: -19.561 tors. eta vs tors. theta energy: -29.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -402.934642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.934642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.934642 (E_RNA) where: Base-Base interactions energy: -241.925 where: short stacking energy: -122.296 Base-Backbone interact. energy: -0.849 local terms energy: -160.161049 where: bonds (distance) C4'-P energy: -41.783 bonds (distance) P-C4' energy: -46.619 flat angles C4'-P-C4' energy: -36.304 flat angles P-C4'-P energy: -16.472 tors. eta vs tors. theta energy: -18.984 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -366.752639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.752639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.752639 (E_RNA) where: Base-Base interactions energy: -173.985 where: short stacking energy: -105.848 Base-Backbone interact. energy: -1.745 local terms energy: -191.022133 where: bonds (distance) C4'-P energy: -53.241 bonds (distance) P-C4' energy: -46.359 flat angles C4'-P-C4' energy: -40.770 flat angles P-C4'-P energy: -37.581 tors. eta vs tors. theta energy: -13.071 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: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1049.189287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.189287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.189287 (E_RNA) where: Base-Base interactions energy: -746.123 where: short stacking energy: -310.765 Base-Backbone interact. energy: -0.169 local terms energy: -302.897762 where: bonds (distance) C4'-P energy: -49.906 bonds (distance) P-C4' energy: -60.085 flat angles C4'-P-C4' energy: -62.256 flat angles P-C4'-P energy: -52.168 tors. eta vs tors. theta energy: -78.482 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: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -976.218649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.218649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.218649 (E_RNA) where: Base-Base interactions energy: -677.642 where: short stacking energy: -284.877 Base-Backbone interact. energy: -1.348 local terms energy: -297.227983 where: bonds (distance) C4'-P energy: -55.899 bonds (distance) P-C4' energy: -58.150 flat angles C4'-P-C4' energy: -68.219 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -73.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -940.028679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.028679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.028679 (E_RNA) where: Base-Base interactions energy: -642.377 where: short stacking energy: -287.272 Base-Backbone interact. energy: -0.600 local terms energy: -297.052371 where: bonds (distance) C4'-P energy: -49.956 bonds (distance) P-C4' energy: -56.136 flat angles C4'-P-C4' energy: -65.671 flat angles P-C4'-P energy: -39.817 tors. eta vs tors. theta energy: -85.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -872.768366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.768366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.768366 (E_RNA) where: Base-Base interactions energy: -604.087 where: short stacking energy: -278.540 Base-Backbone interact. energy: -1.359 local terms energy: -267.321962 where: bonds (distance) C4'-P energy: -50.937 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -51.797 flat angles P-C4'-P energy: -35.569 tors. eta vs tors. theta energy: -74.056 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: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -849.160169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.160169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.160169 (E_RNA) where: Base-Base interactions energy: -573.062 where: short stacking energy: -236.490 Base-Backbone interact. energy: -0.149 local terms energy: -275.949154 where: bonds (distance) C4'-P energy: -50.227 bonds (distance) P-C4' energy: -53.928 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -36.514 tors. eta vs tors. theta energy: -71.200 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: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -681.393160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.393160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.393160 (E_RNA) where: Base-Base interactions energy: -442.389 where: short stacking energy: -193.827 Base-Backbone interact. energy: -2.026 local terms energy: -236.978709 where: bonds (distance) C4'-P energy: -53.084 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -60.462 flat angles P-C4'-P energy: -20.685 tors. eta vs tors. theta energy: -47.228 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: 64 Temperature: 1.200000 Total energy: -652.787953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.787953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.787953 (E_RNA) where: Base-Base interactions energy: -430.789 where: short stacking energy: -195.192 Base-Backbone interact. energy: -0.418 local terms energy: -221.580454 where: bonds (distance) C4'-P energy: -41.357 bonds (distance) P-C4' energy: -57.715 flat angles C4'-P-C4' energy: -47.045 flat angles P-C4'-P energy: -36.241 tors. eta vs tors. theta energy: -39.223 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: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -561.763235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.763235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.763235 (E_RNA) where: Base-Base interactions energy: -341.593 where: short stacking energy: -179.724 Base-Backbone interact. energy: -1.570 local terms energy: -218.600227 where: bonds (distance) C4'-P energy: -48.240 bonds (distance) P-C4' energy: -42.616 flat angles C4'-P-C4' energy: -44.592 flat angles P-C4'-P energy: -34.228 tors. eta vs tors. theta energy: -48.924 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: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -441.888286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.888286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.888286 (E_RNA) where: Base-Base interactions energy: -251.080 where: short stacking energy: -138.781 Base-Backbone interact. energy: -0.880 local terms energy: -189.927973 where: bonds (distance) C4'-P energy: -46.276 bonds (distance) P-C4' energy: -47.983 flat angles C4'-P-C4' energy: -39.111 flat angles P-C4'-P energy: -38.615 tors. eta vs tors. theta energy: -17.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -380.413455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.413455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.413455 (E_RNA) where: Base-Base interactions energy: -219.890 where: short stacking energy: -115.569 Base-Backbone interact. energy: 0.740 local terms energy: -161.262982 where: bonds (distance) C4'-P energy: -47.255 bonds (distance) P-C4' energy: -51.172 flat angles C4'-P-C4' energy: -32.255 flat angles P-C4'-P energy: -27.909 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1043.801078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.801078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.801078 (E_RNA) where: Base-Base interactions energy: -740.510 where: short stacking energy: -303.051 Base-Backbone interact. energy: -1.576 local terms energy: -301.714890 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -58.627 flat angles C4'-P-C4' energy: -60.288 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -83.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -992.954133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.954133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.954133 (E_RNA) where: Base-Base interactions energy: -695.650 where: short stacking energy: -304.660 Base-Backbone interact. energy: 1.251 local terms energy: -298.554784 where: bonds (distance) C4'-P energy: -54.789 bonds (distance) P-C4' energy: -55.031 flat angles C4'-P-C4' energy: -60.958 flat angles P-C4'-P energy: -38.618 tors. eta vs tors. theta energy: -89.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -919.976151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.976151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.976151 (E_RNA) where: Base-Base interactions energy: -620.604 where: short stacking energy: -266.419 Base-Backbone interact. energy: -2.768 local terms energy: -296.604189 where: bonds (distance) C4'-P energy: -54.025 bonds (distance) P-C4' energy: -56.940 flat angles C4'-P-C4' energy: -54.101 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -81.641 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: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -875.488245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.488245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.488245 (E_RNA) where: Base-Base interactions energy: -596.058 where: short stacking energy: -236.608 Base-Backbone interact. energy: -1.312 local terms energy: -278.118159 where: bonds (distance) C4'-P energy: -56.118 bonds (distance) P-C4' energy: -50.255 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: -61.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -849.173183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.173183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.173183 (E_RNA) where: Base-Base interactions energy: -592.301 where: short stacking energy: -260.200 Base-Backbone interact. energy: -0.637 local terms energy: -256.235455 where: bonds (distance) C4'-P energy: -43.190 bonds (distance) P-C4' energy: -50.481 flat angles C4'-P-C4' energy: -55.451 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -65.650 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: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -730.496739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.496739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.496739 (E_RNA) where: Base-Base interactions energy: -482.854 where: short stacking energy: -224.441 Base-Backbone interact. energy: -0.327 local terms energy: -247.315845 where: bonds (distance) C4'-P energy: -50.577 bonds (distance) P-C4' energy: -53.874 flat angles C4'-P-C4' energy: -53.943 flat angles P-C4'-P energy: -23.087 tors. eta vs tors. theta energy: -65.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -636.088628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.088628 (E_RNA) where: Base-Base interactions energy: -412.668 where: short stacking energy: -194.447 Base-Backbone interact. energy: 0.470 local terms energy: -223.890862 where: bonds (distance) C4'-P energy: -50.376 bonds (distance) P-C4' energy: -50.790 flat angles C4'-P-C4' energy: -56.593 flat angles P-C4'-P energy: -28.074 tors. eta vs tors. theta energy: -38.058 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: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -504.791308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.791308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.791308 (E_RNA) where: Base-Base interactions energy: -302.539 where: short stacking energy: -142.708 Base-Backbone interact. energy: 1.616 local terms energy: -203.868949 where: bonds (distance) C4'-P energy: -39.793 bonds (distance) P-C4' energy: -52.607 flat angles C4'-P-C4' energy: -56.207 flat angles P-C4'-P energy: -29.640 tors. eta vs tors. theta energy: -25.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -551.402353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.402353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.402353 (E_RNA) where: Base-Base interactions energy: -335.638 where: short stacking energy: -170.375 Base-Backbone interact. energy: 0.303 local terms energy: -216.068085 where: bonds (distance) C4'-P energy: -51.190 bonds (distance) P-C4' energy: -48.301 flat angles C4'-P-C4' energy: -50.527 flat angles P-C4'-P energy: -24.743 tors. eta vs tors. theta energy: -41.309 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: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -356.608116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.608116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.608116 (E_RNA) where: Base-Base interactions energy: -180.622 where: short stacking energy: -87.691 Base-Backbone interact. energy: -2.442 local terms energy: -173.544627 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -37.671 flat angles C4'-P-C4' energy: -53.923 flat angles P-C4'-P energy: -23.331 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1065.616996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.616996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.616996 (E_RNA) where: Base-Base interactions energy: -741.543 where: short stacking energy: -318.590 Base-Backbone interact. energy: 1.068 local terms energy: -325.141959 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -55.976 flat angles C4'-P-C4' energy: -72.717 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -86.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -991.558968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.558968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.558968 (E_RNA) where: Base-Base interactions energy: -676.817 where: short stacking energy: -279.841 Base-Backbone interact. energy: -1.792 local terms energy: -312.949781 where: bonds (distance) C4'-P energy: -63.681 bonds (distance) P-C4' energy: -63.030 flat angles C4'-P-C4' energy: -60.795 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -82.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -948.564119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.564119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.564119 (E_RNA) where: Base-Base interactions energy: -631.870 where: short stacking energy: -268.519 Base-Backbone interact. energy: -0.880 local terms energy: -315.813819 where: bonds (distance) C4'-P energy: -66.444 bonds (distance) P-C4' energy: -62.388 flat angles C4'-P-C4' energy: -63.273 flat angles P-C4'-P energy: -40.535 tors. eta vs tors. theta energy: -83.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -860.015490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.015490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.015490 (E_RNA) where: Base-Base interactions energy: -572.593 where: short stacking energy: -238.327 Base-Backbone interact. energy: -1.817 local terms energy: -285.605078 where: bonds (distance) C4'-P energy: -58.518 bonds (distance) P-C4' energy: -53.816 flat angles C4'-P-C4' energy: -61.091 flat angles P-C4'-P energy: -41.736 tors. eta vs tors. theta energy: -70.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -852.100931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.100931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.100931 (E_RNA) where: Base-Base interactions energy: -574.505 where: short stacking energy: -249.894 Base-Backbone interact. energy: -0.369 local terms energy: -277.227740 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -60.954 flat angles C4'-P-C4' energy: -56.042 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: -72.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -717.006532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.006532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.006532 (E_RNA) where: Base-Base interactions energy: -468.155 where: short stacking energy: -222.981 Base-Backbone interact. energy: -0.569 local terms energy: -248.282436 where: bonds (distance) C4'-P energy: -34.168 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -58.517 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -57.495 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: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -688.328499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.328499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.328499 (E_RNA) where: Base-Base interactions energy: -438.788 where: short stacking energy: -189.371 Base-Backbone interact. energy: -0.586 local terms energy: -248.955027 where: bonds (distance) C4'-P energy: -49.934 bonds (distance) P-C4' energy: -62.278 flat angles C4'-P-C4' energy: -49.535 flat angles P-C4'-P energy: -32.454 tors. eta vs tors. theta energy: -54.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -514.847431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.847431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.847431 (E_RNA) where: Base-Base interactions energy: -309.069 where: short stacking energy: -149.659 Base-Backbone interact. energy: -0.320 local terms energy: -205.458619 where: bonds (distance) C4'-P energy: -52.232 bonds (distance) P-C4' energy: -53.200 flat angles C4'-P-C4' energy: -46.772 flat angles P-C4'-P energy: -31.123 tors. eta vs tors. theta energy: -22.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -551.284504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.284504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.284504 (E_RNA) where: Base-Base interactions energy: -320.008 where: short stacking energy: -179.934 Base-Backbone interact. energy: -0.725 local terms energy: -230.551319 where: bonds (distance) C4'-P energy: -43.277 bonds (distance) P-C4' energy: -47.726 flat angles C4'-P-C4' energy: -59.843 flat angles P-C4'-P energy: -44.966 tors. eta vs tors. theta energy: -34.739 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: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -391.395443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.395443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.395443 (E_RNA) where: Base-Base interactions energy: -209.990 where: short stacking energy: -121.837 Base-Backbone interact. energy: -0.909 local terms energy: -180.496135 where: bonds (distance) C4'-P energy: -54.599 bonds (distance) P-C4' energy: -45.994 flat angles C4'-P-C4' energy: -44.446 flat angles P-C4'-P energy: -28.090 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1062.137324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.137324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.137324 (E_RNA) where: Base-Base interactions energy: -753.291 where: short stacking energy: -309.003 Base-Backbone interact. energy: -1.219 local terms energy: -307.627740 where: bonds (distance) C4'-P energy: -47.032 bonds (distance) P-C4' energy: -64.612 flat angles C4'-P-C4' energy: -65.559 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: -87.192 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: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -974.708791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.708791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.708791 (E_RNA) where: Base-Base interactions energy: -676.466 where: short stacking energy: -302.974 Base-Backbone interact. energy: -1.204 local terms energy: -297.038394 where: bonds (distance) C4'-P energy: -48.824 bonds (distance) P-C4' energy: -59.456 flat angles C4'-P-C4' energy: -68.642 flat angles P-C4'-P energy: -41.604 tors. eta vs tors. theta energy: -78.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -938.374189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.374189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.374189 (E_RNA) where: Base-Base interactions energy: -629.841 where: short stacking energy: -283.581 Base-Backbone interact. energy: -0.609 local terms energy: -307.924108 where: bonds (distance) C4'-P energy: -54.523 bonds (distance) P-C4' energy: -58.289 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -81.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -889.496647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.496647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.496647 (E_RNA) where: Base-Base interactions energy: -593.357 where: short stacking energy: -271.089 Base-Backbone interact. energy: -1.866 local terms energy: -294.273781 where: bonds (distance) C4'-P energy: -54.736 bonds (distance) P-C4' energy: -60.428 flat angles C4'-P-C4' energy: -58.765 flat angles P-C4'-P energy: -46.631 tors. eta vs tors. theta energy: -73.714 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -825.178838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.178838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.178838 (E_RNA) where: Base-Base interactions energy: -556.249 where: short stacking energy: -256.472 Base-Backbone interact. energy: 1.889 local terms energy: -270.818937 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -53.695 flat angles C4'-P-C4' energy: -52.258 flat angles P-C4'-P energy: -38.265 tors. eta vs tors. theta energy: -69.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -735.546169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.546169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.546169 (E_RNA) where: Base-Base interactions energy: -493.640 where: short stacking energy: -232.333 Base-Backbone interact. energy: -1.401 local terms energy: -240.505331 where: bonds (distance) C4'-P energy: -41.366 bonds (distance) P-C4' energy: -53.604 flat angles C4'-P-C4' energy: -56.298 flat angles P-C4'-P energy: -36.199 tors. eta vs tors. theta energy: -53.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -692.769060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.769060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.769060 (E_RNA) where: Base-Base interactions energy: -443.543 where: short stacking energy: -220.203 Base-Backbone interact. energy: -1.220 local terms energy: -248.006390 where: bonds (distance) C4'-P energy: -34.130 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -54.196 flat angles P-C4'-P energy: -27.299 tors. eta vs tors. theta energy: -67.636 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: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -608.879450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.879450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.879450 (E_RNA) where: Base-Base interactions energy: -375.855 where: short stacking energy: -210.116 Base-Backbone interact. energy: 1.137 local terms energy: -234.161486 where: bonds (distance) C4'-P energy: -46.653 bonds (distance) P-C4' energy: -46.212 flat angles C4'-P-C4' energy: -58.506 flat angles P-C4'-P energy: -36.271 tors. eta vs tors. theta energy: -46.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -513.026848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.026848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.026848 (E_RNA) where: Base-Base interactions energy: -333.465 where: short stacking energy: -153.735 Base-Backbone interact. energy: 4.135 local terms energy: -183.696886 where: bonds (distance) C4'-P energy: -26.239 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -47.789 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: -22.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -419.352402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.352402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.352402 (E_RNA) where: Base-Base interactions energy: -247.172 where: short stacking energy: -113.585 Base-Backbone interact. energy: -1.283 local terms energy: -170.896494 where: bonds (distance) C4'-P energy: -51.622 bonds (distance) P-C4' energy: -44.509 flat angles C4'-P-C4' energy: -38.795 flat angles P-C4'-P energy: -28.713 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1053.653110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.653110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.653110 (E_RNA) where: Base-Base interactions energy: -730.742 where: short stacking energy: -318.235 Base-Backbone interact. energy: -1.172 local terms energy: -321.738782 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -57.775 flat angles C4'-P-C4' energy: -70.363 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -968.460085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.460085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.460085 (E_RNA) where: Base-Base interactions energy: -665.517 where: short stacking energy: -285.069 Base-Backbone interact. energy: -0.605 local terms energy: -302.338485 where: bonds (distance) C4'-P energy: -52.667 bonds (distance) P-C4' energy: -61.375 flat angles C4'-P-C4' energy: -71.504 flat angles P-C4'-P energy: -38.029 tors. eta vs tors. theta energy: -78.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -942.916190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.916190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.916190 (E_RNA) where: Base-Base interactions energy: -638.743 where: short stacking energy: -279.307 Base-Backbone interact. energy: 0.176 local terms energy: -304.349265 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -55.542 flat angles C4'-P-C4' energy: -63.499 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -82.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -881.811429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.811429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.811429 (E_RNA) where: Base-Base interactions energy: -586.843 where: short stacking energy: -266.396 Base-Backbone interact. energy: -0.590 local terms energy: -294.377906 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -61.272 flat angles C4'-P-C4' energy: -57.418 flat angles P-C4'-P energy: -42.236 tors. eta vs tors. theta energy: -72.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -825.256357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.256357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.256357 (E_RNA) where: Base-Base interactions energy: -559.235 where: short stacking energy: -244.150 Base-Backbone interact. energy: -0.937 local terms energy: -265.084683 where: bonds (distance) C4'-P energy: -53.753 bonds (distance) P-C4' energy: -53.223 flat angles C4'-P-C4' energy: -50.929 flat angles P-C4'-P energy: -40.347 tors. eta vs tors. theta energy: -66.834 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: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -696.822549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.822549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.822549 (E_RNA) where: Base-Base interactions energy: -441.706 where: short stacking energy: -189.484 Base-Backbone interact. energy: -0.758 local terms energy: -254.358491 where: bonds (distance) C4'-P energy: -52.265 bonds (distance) P-C4' energy: -57.073 flat angles C4'-P-C4' energy: -52.056 flat angles P-C4'-P energy: -46.781 tors. eta vs tors. theta energy: -46.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -686.430881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.430881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.430881 (E_RNA) where: Base-Base interactions energy: -458.094 where: short stacking energy: -207.238 Base-Backbone interact. energy: -0.797 local terms energy: -227.540052 where: bonds (distance) C4'-P energy: -43.677 bonds (distance) P-C4' energy: -48.769 flat angles C4'-P-C4' energy: -56.421 flat angles P-C4'-P energy: -26.219 tors. eta vs tors. theta energy: -52.453 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -547.504612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.504612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.504612 (E_RNA) where: Base-Base interactions energy: -342.498 where: short stacking energy: -155.972 Base-Backbone interact. energy: -2.060 local terms energy: -202.946230 where: bonds (distance) C4'-P energy: -44.331 bonds (distance) P-C4' energy: -59.850 flat angles C4'-P-C4' energy: -43.883 flat angles P-C4'-P energy: -26.615 tors. eta vs tors. theta energy: -28.268 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: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -569.937956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.937956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.937956 (E_RNA) where: Base-Base interactions energy: -346.850 where: short stacking energy: -178.710 Base-Backbone interact. energy: -0.524 local terms energy: -222.563614 where: bonds (distance) C4'-P energy: -49.621 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -59.429 flat angles P-C4'-P energy: -22.061 tors. eta vs tors. theta energy: -29.751 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: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -403.795983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.795983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.795983 (E_RNA) where: Base-Base interactions energy: -207.887 where: short stacking energy: -106.064 Base-Backbone interact. energy: -0.568 local terms energy: -195.340036 where: bonds (distance) C4'-P energy: -46.394 bonds (distance) P-C4' energy: -53.380 flat angles C4'-P-C4' energy: -49.745 flat angles P-C4'-P energy: -31.891 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1035.655576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.655576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.655576 (E_RNA) where: Base-Base interactions energy: -723.926 where: short stacking energy: -326.780 Base-Backbone interact. energy: -0.693 local terms energy: -311.036911 where: bonds (distance) C4'-P energy: -56.036 bonds (distance) P-C4' energy: -61.406 flat angles C4'-P-C4' energy: -62.208 flat angles P-C4'-P energy: -45.191 tors. eta vs tors. theta energy: -86.195 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: 69 Temperature: 0.950000 Total energy: -967.078236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.078236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.078236 (E_RNA) where: Base-Base interactions energy: -662.020 where: short stacking energy: -291.199 Base-Backbone interact. energy: -0.882 local terms energy: -304.175847 where: bonds (distance) C4'-P energy: -61.278 bonds (distance) P-C4' energy: -60.015 flat angles C4'-P-C4' energy: -67.663 flat angles P-C4'-P energy: -40.289 tors. eta vs tors. theta energy: -74.931 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: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -917.073862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.073862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.073862 (E_RNA) where: Base-Base interactions energy: -631.936 where: short stacking energy: -279.008 Base-Backbone interact. energy: -0.856 local terms energy: -284.280991 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -57.100 flat angles C4'-P-C4' energy: -55.456 flat angles P-C4'-P energy: -34.161 tors. eta vs tors. theta energy: -77.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -898.159710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.159710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.159710 (E_RNA) where: Base-Base interactions energy: -626.038 where: short stacking energy: -266.304 Base-Backbone interact. energy: -0.456 local terms energy: -271.665102 where: bonds (distance) C4'-P energy: -53.652 bonds (distance) P-C4' energy: -54.971 flat angles C4'-P-C4' energy: -62.428 flat angles P-C4'-P energy: -32.138 tors. eta vs tors. theta energy: -68.477 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: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -822.592882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.592882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.592882 (E_RNA) where: Base-Base interactions energy: -561.819 where: short stacking energy: -252.803 Base-Backbone interact. energy: -0.913 local terms energy: -259.860195 where: bonds (distance) C4'-P energy: -53.572 bonds (distance) P-C4' energy: -58.166 flat angles C4'-P-C4' energy: -51.610 flat angles P-C4'-P energy: -35.086 tors. eta vs tors. theta energy: -61.426 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: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -686.800425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.800425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.800425 (E_RNA) where: Base-Base interactions energy: -430.698 where: short stacking energy: -198.135 Base-Backbone interact. energy: -0.762 local terms energy: -255.340487 where: bonds (distance) C4'-P energy: -53.639 bonds (distance) P-C4' energy: -51.484 flat angles C4'-P-C4' energy: -59.567 flat angles P-C4'-P energy: -38.300 tors. eta vs tors. theta energy: -52.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -692.547042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.547042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.547042 (E_RNA) where: Base-Base interactions energy: -473.477 where: short stacking energy: -221.058 Base-Backbone interact. energy: 5.944 local terms energy: -225.013759 where: bonds (distance) C4'-P energy: -40.415 bonds (distance) P-C4' energy: -44.326 flat angles C4'-P-C4' energy: -55.349 flat angles P-C4'-P energy: -42.895 tors. eta vs tors. theta energy: -42.029 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: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -586.589643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.589643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.589643 (E_RNA) where: Base-Base interactions energy: -364.315 where: short stacking energy: -166.211 Base-Backbone interact. energy: -0.810 local terms energy: -221.464462 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -43.843 flat angles C4'-P-C4' energy: -49.234 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -32.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -543.355623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.355623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.355623 (E_RNA) where: Base-Base interactions energy: -336.784 where: short stacking energy: -156.868 Base-Backbone interact. energy: -0.626 local terms energy: -205.945726 where: bonds (distance) C4'-P energy: -52.791 bonds (distance) P-C4' energy: -41.714 flat angles C4'-P-C4' energy: -52.409 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: -25.234 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: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -352.186786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.186786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.186786 (E_RNA) where: Base-Base interactions energy: -175.562 where: short stacking energy: -97.154 Base-Backbone interact. energy: 1.266 local terms energy: -177.891568 where: bonds (distance) C4'-P energy: -47.058 bonds (distance) P-C4' energy: -51.751 flat angles C4'-P-C4' energy: -46.264 flat angles P-C4'-P energy: -39.996 tors. eta vs tors. theta energy: 7.178 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: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1045.015615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.015615 (E_RNA) where: Base-Base interactions energy: -741.732 where: short stacking energy: -317.283 Base-Backbone interact. energy: -0.401 local terms energy: -302.882358 where: bonds (distance) C4'-P energy: -64.859 bonds (distance) P-C4' energy: -55.155 flat angles C4'-P-C4' energy: -63.310 flat angles P-C4'-P energy: -41.436 tors. eta vs tors. theta energy: -78.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -989.837455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.837455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.837455 (E_RNA) where: Base-Base interactions energy: -688.568 where: short stacking energy: -285.180 Base-Backbone interact. energy: -0.065 local terms energy: -301.203964 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -72.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -964.992972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.992972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.992972 (E_RNA) where: Base-Base interactions energy: -652.423 where: short stacking energy: -306.384 Base-Backbone interact. energy: -0.338 local terms energy: -312.232502 where: bonds (distance) C4'-P energy: -53.160 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -58.928 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -93.245 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: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -869.938744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.938744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.938744 (E_RNA) where: Base-Base interactions energy: -589.882 where: short stacking energy: -263.026 Base-Backbone interact. energy: 0.496 local terms energy: -280.552123 where: bonds (distance) C4'-P energy: -46.724 bonds (distance) P-C4' energy: -53.746 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -41.202 tors. eta vs tors. theta energy: -71.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -824.944254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.944254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.944254 (E_RNA) where: Base-Base interactions energy: -545.578 where: short stacking energy: -261.109 Base-Backbone interact. energy: -0.540 local terms energy: -278.825764 where: bonds (distance) C4'-P energy: -49.630 bonds (distance) P-C4' energy: -56.730 flat angles C4'-P-C4' energy: -57.059 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -76.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -700.452360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.452360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.452360 (E_RNA) where: Base-Base interactions energy: -439.174 where: short stacking energy: -232.773 Base-Backbone interact. energy: 0.568 local terms energy: -261.846728 where: bonds (distance) C4'-P energy: -60.253 bonds (distance) P-C4' energy: -40.917 flat angles C4'-P-C4' energy: -61.880 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -58.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -651.308578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.308578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.308578 (E_RNA) where: Base-Base interactions energy: -420.706 where: short stacking energy: -195.660 Base-Backbone interact. energy: -1.597 local terms energy: -229.005849 where: bonds (distance) C4'-P energy: -45.440 bonds (distance) P-C4' energy: -54.620 flat angles C4'-P-C4' energy: -54.717 flat angles P-C4'-P energy: -24.394 tors. eta vs tors. theta energy: -49.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -592.959742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.959742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.959742 (E_RNA) where: Base-Base interactions energy: -385.694 where: short stacking energy: -184.593 Base-Backbone interact. energy: -1.282 local terms energy: -205.983927 where: bonds (distance) C4'-P energy: -49.212 bonds (distance) P-C4' energy: -40.270 flat angles C4'-P-C4' energy: -46.823 flat angles P-C4'-P energy: -37.942 tors. eta vs tors. theta energy: -31.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -556.121312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.121312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.121312 (E_RNA) where: Base-Base interactions energy: -343.514 where: short stacking energy: -172.264 Base-Backbone interact. energy: -0.662 local terms energy: -211.945362 where: bonds (distance) C4'-P energy: -52.237 bonds (distance) P-C4' energy: -47.078 flat angles C4'-P-C4' energy: -48.576 flat angles P-C4'-P energy: -32.373 tors. eta vs tors. theta energy: -31.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -347.940488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.940488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.940488 (E_RNA) where: Base-Base interactions energy: -182.912 where: short stacking energy: -116.856 Base-Backbone interact. energy: -0.397 local terms energy: -164.631949 where: bonds (distance) C4'-P energy: -46.038 bonds (distance) P-C4' energy: -46.029 flat angles C4'-P-C4' energy: -51.387 flat angles P-C4'-P energy: -24.893 tors. eta vs tors. theta energy: 3.715 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: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1033.275521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.275521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.275521 (E_RNA) where: Base-Base interactions energy: -719.134 where: short stacking energy: -306.729 Base-Backbone interact. energy: -1.645 local terms energy: -312.496286 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -57.244 flat angles C4'-P-C4' energy: -69.347 flat angles P-C4'-P energy: -46.144 tors. eta vs tors. theta energy: -83.466 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: 71 Temperature: 0.950000 Total energy: -983.896187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.896187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.896187 (E_RNA) where: Base-Base interactions energy: -691.532 where: short stacking energy: -280.906 Base-Backbone interact. energy: -1.175 local terms energy: -291.190078 where: bonds (distance) C4'-P energy: -60.117 bonds (distance) P-C4' energy: -57.947 flat angles C4'-P-C4' energy: -60.576 flat angles P-C4'-P energy: -33.958 tors. eta vs tors. theta energy: -78.593 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: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -933.457659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.457659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.457659 (E_RNA) where: Base-Base interactions energy: -629.282 where: short stacking energy: -276.697 Base-Backbone interact. energy: -3.057 local terms energy: -301.118355 where: bonds (distance) C4'-P energy: -55.681 bonds (distance) P-C4' energy: -63.236 flat angles C4'-P-C4' energy: -57.307 flat angles P-C4'-P energy: -35.008 tors. eta vs tors. theta energy: -89.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -879.014666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.014666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.014666 (E_RNA) where: Base-Base interactions energy: -596.651 where: short stacking energy: -251.359 Base-Backbone interact. energy: -0.539 local terms energy: -281.824150 where: bonds (distance) C4'-P energy: -54.603 bonds (distance) P-C4' energy: -54.844 flat angles C4'-P-C4' energy: -59.824 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -67.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -862.997170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.997170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.997170 (E_RNA) where: Base-Base interactions energy: -603.660 where: short stacking energy: -272.099 Base-Backbone interact. energy: -1.254 local terms energy: -258.083557 where: bonds (distance) C4'-P energy: -36.510 bonds (distance) P-C4' energy: -53.958 flat angles C4'-P-C4' energy: -53.820 flat angles P-C4'-P energy: -45.357 tors. eta vs tors. theta energy: -68.440 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: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -705.476457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.476457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.476457 (E_RNA) where: Base-Base interactions energy: -444.048 where: short stacking energy: -187.499 Base-Backbone interact. energy: 0.267 local terms energy: -261.695576 where: bonds (distance) C4'-P energy: -55.710 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -59.522 flat angles P-C4'-P energy: -38.249 tors. eta vs tors. theta energy: -42.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -651.766032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.766032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.766032 (E_RNA) where: Base-Base interactions energy: -428.375 where: short stacking energy: -202.484 Base-Backbone interact. energy: -0.828 local terms energy: -222.562834 where: bonds (distance) C4'-P energy: -46.927 bonds (distance) P-C4' energy: -43.201 flat angles C4'-P-C4' energy: -55.304 flat angles P-C4'-P energy: -31.411 tors. eta vs tors. theta energy: -45.719 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: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -552.848211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.848211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.848211 (E_RNA) where: Base-Base interactions energy: -330.653 where: short stacking energy: -172.183 Base-Backbone interact. energy: -0.597 local terms energy: -221.598177 where: bonds (distance) C4'-P energy: -49.339 bonds (distance) P-C4' energy: -52.060 flat angles C4'-P-C4' energy: -58.423 flat angles P-C4'-P energy: -33.377 tors. eta vs tors. theta energy: -28.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -573.092295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.092295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.092295 (E_RNA) where: Base-Base interactions energy: -359.062 where: short stacking energy: -158.860 Base-Backbone interact. energy: -0.744 local terms energy: -213.285624 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -50.066 flat angles C4'-P-C4' energy: -53.956 flat angles P-C4'-P energy: -27.065 tors. eta vs tors. theta energy: -32.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -361.292044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.292044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.292044 (E_RNA) where: Base-Base interactions energy: -200.203 where: short stacking energy: -112.425 Base-Backbone interact. energy: -1.793 local terms energy: -159.295674 where: bonds (distance) C4'-P energy: -42.708 bonds (distance) P-C4' energy: -49.436 flat angles C4'-P-C4' energy: -38.415 flat angles P-C4'-P energy: -22.672 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -996.892574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.892574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.892574 (E_RNA) where: Base-Base interactions energy: -691.478 where: short stacking energy: -298.293 Base-Backbone interact. energy: -1.255 local terms energy: -304.159432 where: bonds (distance) C4'-P energy: -58.347 bonds (distance) P-C4' energy: -51.368 flat angles C4'-P-C4' energy: -69.240 flat angles P-C4'-P energy: -48.489 tors. eta vs tors. theta energy: -76.716 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: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1028.529940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.529940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.529940 (E_RNA) where: Base-Base interactions energy: -728.648 where: short stacking energy: -312.611 Base-Backbone interact. energy: -0.773 local terms energy: -299.109072 where: bonds (distance) C4'-P energy: -60.609 bonds (distance) P-C4' energy: -53.337 flat angles C4'-P-C4' energy: -57.141 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -80.910 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: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -937.927044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.927044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.927044 (E_RNA) where: Base-Base interactions energy: -630.448 where: short stacking energy: -292.779 Base-Backbone interact. energy: -0.537 local terms energy: -306.941683 where: bonds (distance) C4'-P energy: -58.074 bonds (distance) P-C4' energy: -62.146 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -36.735 tors. eta vs tors. theta energy: -88.142 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: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -840.423117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.423117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.423117 (E_RNA) where: Base-Base interactions energy: -570.509 where: short stacking energy: -263.993 Base-Backbone interact. energy: -0.597 local terms energy: -269.316561 where: bonds (distance) C4'-P energy: -53.134 bonds (distance) P-C4' energy: -49.292 flat angles C4'-P-C4' energy: -64.531 flat angles P-C4'-P energy: -33.592 tors. eta vs tors. theta energy: -68.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -866.985913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.985913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.985913 (E_RNA) where: Base-Base interactions energy: -599.882 where: short stacking energy: -258.644 Base-Backbone interact. energy: -1.773 local terms energy: -265.331137 where: bonds (distance) C4'-P energy: -46.837 bonds (distance) P-C4' energy: -51.611 flat angles C4'-P-C4' energy: -52.453 flat angles P-C4'-P energy: -39.996 tors. eta vs tors. theta energy: -74.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -728.871000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.871000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.871000 (E_RNA) where: Base-Base interactions energy: -486.559 where: short stacking energy: -209.235 Base-Backbone interact. energy: -0.792 local terms energy: -241.520820 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -48.912 flat angles C4'-P-C4' energy: -53.237 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: -45.640 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: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -687.812434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.812434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.812434 (E_RNA) where: Base-Base interactions energy: -462.677 where: short stacking energy: -214.703 Base-Backbone interact. energy: 1.418 local terms energy: -226.553787 where: bonds (distance) C4'-P energy: -47.904 bonds (distance) P-C4' energy: -45.186 flat angles C4'-P-C4' energy: -60.131 flat angles P-C4'-P energy: -29.684 tors. eta vs tors. theta energy: -43.649 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: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -534.356774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.356774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.356774 (E_RNA) where: Base-Base interactions energy: -327.436 where: short stacking energy: -153.365 Base-Backbone interact. energy: -1.159 local terms energy: -205.762240 where: bonds (distance) C4'-P energy: -45.900 bonds (distance) P-C4' energy: -44.148 flat angles C4'-P-C4' energy: -44.872 flat angles P-C4'-P energy: -35.705 tors. eta vs tors. theta energy: -35.138 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: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -544.140176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.140176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.140176 (E_RNA) where: Base-Base interactions energy: -346.214 where: short stacking energy: -162.456 Base-Backbone interact. energy: -1.566 local terms energy: -196.360053 where: bonds (distance) C4'-P energy: -48.778 bonds (distance) P-C4' energy: -35.593 flat angles C4'-P-C4' energy: -48.770 flat angles P-C4'-P energy: -35.391 tors. eta vs tors. theta energy: -27.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -395.002195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.002195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.002195 (E_RNA) where: Base-Base interactions energy: -213.056 where: short stacking energy: -113.702 Base-Backbone interact. energy: 1.148 local terms energy: -183.094617 where: bonds (distance) C4'-P energy: -53.351 bonds (distance) P-C4' energy: -44.793 flat angles C4'-P-C4' energy: -52.201 flat angles P-C4'-P energy: -24.635 tors. eta vs tors. theta energy: -8.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1003.860028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.860028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.860028 (E_RNA) where: Base-Base interactions energy: -689.995 where: short stacking energy: -300.992 Base-Backbone interact. energy: -1.244 local terms energy: -312.620391 where: bonds (distance) C4'-P energy: -55.056 bonds (distance) P-C4' energy: -68.323 flat angles C4'-P-C4' energy: -66.705 flat angles P-C4'-P energy: -39.276 tors. eta vs tors. theta energy: -83.261 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: 73 Temperature: 0.950000 Total energy: -1031.762734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.762734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.762734 (E_RNA) where: Base-Base interactions energy: -718.296 where: short stacking energy: -302.576 Base-Backbone interact. energy: 2.297 local terms energy: -315.763826 where: bonds (distance) C4'-P energy: -59.547 bonds (distance) P-C4' energy: -60.139 flat angles C4'-P-C4' energy: -66.983 flat angles P-C4'-P energy: -46.712 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -966.434999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.434999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.434999 (E_RNA) where: Base-Base interactions energy: -664.235 where: short stacking energy: -297.363 Base-Backbone interact. energy: -2.600 local terms energy: -299.600248 where: bonds (distance) C4'-P energy: -45.047 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -87.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -863.176236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.176236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.176236 (E_RNA) where: Base-Base interactions energy: -575.169 where: short stacking energy: -255.287 Base-Backbone interact. energy: -0.388 local terms energy: -287.619297 where: bonds (distance) C4'-P energy: -59.624 bonds (distance) P-C4' energy: -56.377 flat angles C4'-P-C4' energy: -58.380 flat angles P-C4'-P energy: -39.931 tors. eta vs tors. theta energy: -73.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -818.232887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.232887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.232887 (E_RNA) where: Base-Base interactions energy: -562.936 where: short stacking energy: -225.630 Base-Backbone interact. energy: 0.845 local terms energy: -256.141950 where: bonds (distance) C4'-P energy: -46.628 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -54.160 flat angles P-C4'-P energy: -34.285 tors. eta vs tors. theta energy: -59.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -711.557635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.557635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.557635 (E_RNA) where: Base-Base interactions energy: -493.718 where: short stacking energy: -213.318 Base-Backbone interact. energy: 4.505 local terms energy: -222.343798 where: bonds (distance) C4'-P energy: -46.883 bonds (distance) P-C4' energy: -52.389 flat angles C4'-P-C4' energy: -57.472 flat angles P-C4'-P energy: -19.482 tors. eta vs tors. theta energy: -46.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -764.287603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.287603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.287603 (E_RNA) where: Base-Base interactions energy: -502.861 where: short stacking energy: -216.346 Base-Backbone interact. energy: -0.900 local terms energy: -260.526924 where: bonds (distance) C4'-P energy: -44.585 bonds (distance) P-C4' energy: -56.908 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -38.695 tors. eta vs tors. theta energy: -57.371 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: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -565.915859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.915859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.915859 (E_RNA) where: Base-Base interactions energy: -355.694 where: short stacking energy: -182.158 Base-Backbone interact. energy: 0.095 local terms energy: -210.317624 where: bonds (distance) C4'-P energy: -52.392 bonds (distance) P-C4' energy: -45.205 flat angles C4'-P-C4' energy: -50.556 flat angles P-C4'-P energy: -28.751 tors. eta vs tors. theta energy: -33.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -536.051537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.051537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.051537 (E_RNA) where: Base-Base interactions energy: -325.665 where: short stacking energy: -147.421 Base-Backbone interact. energy: -1.672 local terms energy: -208.713930 where: bonds (distance) C4'-P energy: -49.982 bonds (distance) P-C4' energy: -46.853 flat angles C4'-P-C4' energy: -44.803 flat angles P-C4'-P energy: -32.219 tors. eta vs tors. theta energy: -34.857 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: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -415.703047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.703047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.703047 (E_RNA) where: Base-Base interactions energy: -252.061 where: short stacking energy: -134.181 Base-Backbone interact. energy: -1.638 local terms energy: -162.003751 where: bonds (distance) C4'-P energy: -42.127 bonds (distance) P-C4' energy: -45.439 flat angles C4'-P-C4' energy: -41.817 flat angles P-C4'-P energy: -24.019 tors. eta vs tors. theta energy: -8.601 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: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1026.523903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.523903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.523903 (E_RNA) where: Base-Base interactions energy: -720.347 where: short stacking energy: -302.188 Base-Backbone interact. energy: -2.083 local terms energy: -304.093311 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -67.792 flat angles P-C4'-P energy: -41.832 tors. eta vs tors. theta energy: -77.463 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: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -994.228253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.228253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.228253 (E_RNA) where: Base-Base interactions energy: -692.344 where: short stacking energy: -304.499 Base-Backbone interact. energy: 1.337 local terms energy: -303.220901 where: bonds (distance) C4'-P energy: -58.311 bonds (distance) P-C4' energy: -60.327 flat angles C4'-P-C4' energy: -66.063 flat angles P-C4'-P energy: -39.219 tors. eta vs tors. theta energy: -79.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -962.219405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.219405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.219405 (E_RNA) where: Base-Base interactions energy: -650.174 where: short stacking energy: -290.400 Base-Backbone interact. energy: -0.925 local terms energy: -311.120523 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -67.055 flat angles P-C4'-P energy: -43.318 tors. eta vs tors. theta energy: -85.404 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: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -891.730666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.730666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.730666 (E_RNA) where: Base-Base interactions energy: -599.354 where: short stacking energy: -271.529 Base-Backbone interact. energy: -0.637 local terms energy: -291.738853 where: bonds (distance) C4'-P energy: -50.478 bonds (distance) P-C4' energy: -65.312 flat angles C4'-P-C4' energy: -64.144 flat angles P-C4'-P energy: -34.378 tors. eta vs tors. theta energy: -77.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -832.537811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.537811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.537811 (E_RNA) where: Base-Base interactions energy: -535.444 where: short stacking energy: -229.983 Base-Backbone interact. energy: -1.199 local terms energy: -295.894648 where: bonds (distance) C4'-P energy: -51.121 bonds (distance) P-C4' energy: -68.311 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -65.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -718.527964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.527964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.527964 (E_RNA) where: Base-Base interactions energy: -476.596 where: short stacking energy: -202.849 Base-Backbone interact. energy: -2.487 local terms energy: -239.444584 where: bonds (distance) C4'-P energy: -46.927 bonds (distance) P-C4' energy: -46.455 flat angles C4'-P-C4' energy: -58.574 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -50.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -785.667153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.667153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.667153 (E_RNA) where: Base-Base interactions energy: -531.865 where: short stacking energy: -239.083 Base-Backbone interact. energy: 0.686 local terms energy: -254.487658 where: bonds (distance) C4'-P energy: -51.648 bonds (distance) P-C4' energy: -56.025 flat angles C4'-P-C4' energy: -49.974 flat angles P-C4'-P energy: -31.961 tors. eta vs tors. theta energy: -64.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -579.663661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.663661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.663661 (E_RNA) where: Base-Base interactions energy: -358.428 where: short stacking energy: -181.516 Base-Backbone interact. energy: -0.722 local terms energy: -220.514360 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -49.586 flat angles C4'-P-C4' energy: -51.373 flat angles P-C4'-P energy: -34.946 tors. eta vs tors. theta energy: -29.538 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: 74 Temperature: 1.300000 Total energy: -507.909926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.909926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.909926 (E_RNA) where: Base-Base interactions energy: -335.604 where: short stacking energy: -118.243 Base-Backbone interact. energy: 1.246 local terms energy: -173.551062 where: bonds (distance) C4'-P energy: -41.949 bonds (distance) P-C4' energy: -52.595 flat angles C4'-P-C4' energy: -46.798 flat angles P-C4'-P energy: -30.201 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -417.244975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.244975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.244975 (E_RNA) where: Base-Base interactions energy: -215.368 where: short stacking energy: -120.071 Base-Backbone interact. energy: 0.967 local terms energy: -202.843548 where: bonds (distance) C4'-P energy: -57.039 bonds (distance) P-C4' energy: -45.590 flat angles C4'-P-C4' energy: -52.292 flat angles P-C4'-P energy: -31.246 tors. eta vs tors. theta energy: -16.677 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: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1025.089728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.089728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.089728 (E_RNA) where: Base-Base interactions energy: -714.771 where: short stacking energy: -313.453 Base-Backbone interact. energy: -1.542 local terms energy: -308.776835 where: bonds (distance) C4'-P energy: -62.192 bonds (distance) P-C4' energy: -50.919 flat angles C4'-P-C4' energy: -70.400 flat angles P-C4'-P energy: -41.983 tors. eta vs tors. theta energy: -83.283 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: 1 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -984.402545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.402545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.402545 (E_RNA) where: Base-Base interactions energy: -680.768 where: short stacking energy: -297.929 Base-Backbone interact. energy: -1.132 local terms energy: -302.502734 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -62.345 flat angles C4'-P-C4' energy: -55.568 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -76.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -931.189528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.189528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.189528 (E_RNA) where: Base-Base interactions energy: -632.131 where: short stacking energy: -278.317 Base-Backbone interact. energy: -1.058 local terms energy: -298.000202 where: bonds (distance) C4'-P energy: -51.369 bonds (distance) P-C4' energy: -63.142 flat angles C4'-P-C4' energy: -57.725 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -81.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -881.456324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.456324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.456324 (E_RNA) where: Base-Base interactions energy: -611.758 where: short stacking energy: -276.818 Base-Backbone interact. energy: -2.254 local terms energy: -267.444922 where: bonds (distance) C4'-P energy: -47.854 bonds (distance) P-C4' energy: -47.501 flat angles C4'-P-C4' energy: -62.416 flat angles P-C4'-P energy: -36.066 tors. eta vs tors. theta energy: -73.609 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: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -822.624684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.624684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.624684 (E_RNA) where: Base-Base interactions energy: -554.278 where: short stacking energy: -233.429 Base-Backbone interact. energy: -2.434 local terms energy: -265.912516 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -51.583 flat angles C4'-P-C4' energy: -52.047 flat angles P-C4'-P energy: -32.936 tors. eta vs tors. theta energy: -70.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -822.954203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.954203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.954203 (E_RNA) where: Base-Base interactions energy: -553.246 where: short stacking energy: -250.240 Base-Backbone interact. energy: -0.411 local terms energy: -269.297382 where: bonds (distance) C4'-P energy: -49.559 bonds (distance) P-C4' energy: -53.243 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -42.057 tors. eta vs tors. theta energy: -58.166 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: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -685.621661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.621661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.621661 (E_RNA) where: Base-Base interactions energy: -448.789 where: short stacking energy: -197.017 Base-Backbone interact. energy: 0.707 local terms energy: -237.539578 where: bonds (distance) C4'-P energy: -43.492 bonds (distance) P-C4' energy: -54.868 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -28.075 tors. eta vs tors. theta energy: -46.482 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: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -593.284347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.284347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.284347 (E_RNA) where: Base-Base interactions energy: -380.506 where: short stacking energy: -181.887 Base-Backbone interact. energy: -2.688 local terms energy: -210.090240 where: bonds (distance) C4'-P energy: -49.109 bonds (distance) P-C4' energy: -49.601 flat angles C4'-P-C4' energy: -42.627 flat angles P-C4'-P energy: -26.844 tors. eta vs tors. theta energy: -41.909 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: 75 Temperature: 1.300000 Total energy: -466.793758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.793758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.793758 (E_RNA) where: Base-Base interactions energy: -288.081 where: short stacking energy: -136.443 Base-Backbone interact. energy: -2.399 local terms energy: -176.314339 where: bonds (distance) C4'-P energy: -41.411 bonds (distance) P-C4' energy: -42.090 flat angles C4'-P-C4' energy: -41.665 flat angles P-C4'-P energy: -34.489 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -422.982372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.982372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.982372 (E_RNA) where: Base-Base interactions energy: -253.777 where: short stacking energy: -127.524 Base-Backbone interact. energy: 0.556 local terms energy: -169.761553 where: bonds (distance) C4'-P energy: -43.406 bonds (distance) P-C4' energy: -45.100 flat angles C4'-P-C4' energy: -39.431 flat angles P-C4'-P energy: -25.025 tors. eta vs tors. theta energy: -16.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1039.562216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.562216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.562216 (E_RNA) where: Base-Base interactions energy: -729.028 where: short stacking energy: -314.676 Base-Backbone interact. energy: 1.661 local terms energy: -312.194603 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -53.780 flat angles C4'-P-C4' energy: -66.062 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -84.887 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: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -995.318823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.318823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.318823 (E_RNA) where: Base-Base interactions energy: -688.651 where: short stacking energy: -286.170 Base-Backbone interact. energy: 0.066 local terms energy: -306.733302 where: bonds (distance) C4'-P energy: -50.633 bonds (distance) P-C4' energy: -55.582 flat angles C4'-P-C4' energy: -66.695 flat angles P-C4'-P energy: -47.998 tors. eta vs tors. theta energy: -85.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -930.964762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.964762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.964762 (E_RNA) where: Base-Base interactions energy: -634.674 where: short stacking energy: -279.354 Base-Backbone interact. energy: 0.406 local terms energy: -296.697527 where: bonds (distance) C4'-P energy: -56.604 bonds (distance) P-C4' energy: -56.107 flat angles C4'-P-C4' energy: -53.944 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -83.277 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: 76 Temperature: 1.050000 Total energy: -879.628552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.628552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.628552 (E_RNA) where: Base-Base interactions energy: -594.516 where: short stacking energy: -271.003 Base-Backbone interact. energy: -0.463 local terms energy: -284.649425 where: bonds (distance) C4'-P energy: -49.254 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -62.514 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -67.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -801.695969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.695969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.695969 (E_RNA) where: Base-Base interactions energy: -543.604 where: short stacking energy: -242.196 Base-Backbone interact. energy: -0.539 local terms energy: -257.553590 where: bonds (distance) C4'-P energy: -47.052 bonds (distance) P-C4' energy: -55.936 flat angles C4'-P-C4' energy: -56.567 flat angles P-C4'-P energy: -37.827 tors. eta vs tors. theta energy: -60.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -780.745075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.745075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.745075 (E_RNA) where: Base-Base interactions energy: -508.950 where: short stacking energy: -235.882 Base-Backbone interact. energy: 3.211 local terms energy: -275.006856 where: bonds (distance) C4'-P energy: -56.637 bonds (distance) P-C4' energy: -56.752 flat angles C4'-P-C4' energy: -60.592 flat angles P-C4'-P energy: -43.066 tors. eta vs tors. theta energy: -57.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -658.491819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.491819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.491819 (E_RNA) where: Base-Base interactions energy: -437.932 where: short stacking energy: -191.064 Base-Backbone interact. energy: 4.922 local terms energy: -225.481921 where: bonds (distance) C4'-P energy: -51.203 bonds (distance) P-C4' energy: -58.200 flat angles C4'-P-C4' energy: -51.713 flat angles P-C4'-P energy: -32.007 tors. eta vs tors. theta energy: -32.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -604.352021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.352021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.352021 (E_RNA) where: Base-Base interactions energy: -395.342 where: short stacking energy: -180.978 Base-Backbone interact. energy: -0.426 local terms energy: -208.584184 where: bonds (distance) C4'-P energy: -50.200 bonds (distance) P-C4' energy: -43.801 flat angles C4'-P-C4' energy: -49.158 flat angles P-C4'-P energy: -32.747 tors. eta vs tors. theta energy: -32.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -458.713658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.713658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.713658 (E_RNA) where: Base-Base interactions energy: -262.099 where: short stacking energy: -128.429 Base-Backbone interact. energy: 2.284 local terms energy: -198.898875 where: bonds (distance) C4'-P energy: -36.049 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -59.025 flat angles P-C4'-P energy: -27.508 tors. eta vs tors. theta energy: -20.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -413.524660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.524660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.524660 (E_RNA) where: Base-Base interactions energy: -245.117 where: short stacking energy: -118.370 Base-Backbone interact. energy: -0.794 local terms energy: -167.613957 where: bonds (distance) C4'-P energy: -51.606 bonds (distance) P-C4' energy: -39.147 flat angles C4'-P-C4' energy: -47.538 flat angles P-C4'-P energy: -23.061 tors. eta vs tors. theta energy: -6.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1029.251600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.251600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.251600 (E_RNA) where: Base-Base interactions energy: -719.531 where: short stacking energy: -309.004 Base-Backbone interact. energy: -0.795 local terms energy: -308.925027 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -55.762 flat angles C4'-P-C4' energy: -67.032 flat angles P-C4'-P energy: -44.451 tors. eta vs tors. theta energy: -81.850 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: 77 Temperature: 0.950000 Total energy: -1018.844136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.844136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.844136 (E_RNA) where: Base-Base interactions energy: -702.113 where: short stacking energy: -297.917 Base-Backbone interact. energy: -0.908 local terms energy: -315.823773 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -69.522 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -80.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -943.671928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.671928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.671928 (E_RNA) where: Base-Base interactions energy: -636.338 where: short stacking energy: -287.022 Base-Backbone interact. energy: -1.411 local terms energy: -305.922562 where: bonds (distance) C4'-P energy: -58.090 bonds (distance) P-C4' energy: -59.764 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -41.248 tors. eta vs tors. theta energy: -80.669 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: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -888.434889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.434889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.434889 (E_RNA) where: Base-Base interactions energy: -600.100 where: short stacking energy: -264.470 Base-Backbone interact. energy: -0.046 local terms energy: -288.288550 where: bonds (distance) C4'-P energy: -57.169 bonds (distance) P-C4' energy: -56.595 flat angles C4'-P-C4' energy: -62.031 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: -75.469 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: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -827.661436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.661436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.661436 (E_RNA) where: Base-Base interactions energy: -552.743 where: short stacking energy: -262.787 Base-Backbone interact. energy: -0.610 local terms energy: -274.308000 where: bonds (distance) C4'-P energy: -45.124 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -56.204 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -74.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -791.854732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.854732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.854732 (E_RNA) where: Base-Base interactions energy: -544.953 where: short stacking energy: -241.158 Base-Backbone interact. energy: -1.381 local terms energy: -245.521080 where: bonds (distance) C4'-P energy: -50.808 bonds (distance) P-C4' energy: -46.316 flat angles C4'-P-C4' energy: -57.803 flat angles P-C4'-P energy: -25.210 tors. eta vs tors. theta energy: -65.385 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: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -671.415844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.415844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.415844 (E_RNA) where: Base-Base interactions energy: -424.786 where: short stacking energy: -184.390 Base-Backbone interact. energy: -1.282 local terms energy: -245.347691 where: bonds (distance) C4'-P energy: -41.584 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: -43.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -602.754029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.754029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.754029 (E_RNA) where: Base-Base interactions energy: -383.848 where: short stacking energy: -175.302 Base-Backbone interact. energy: 0.904 local terms energy: -219.809552 where: bonds (distance) C4'-P energy: -33.799 bonds (distance) P-C4' energy: -59.138 flat angles C4'-P-C4' energy: -53.819 flat angles P-C4'-P energy: -30.903 tors. eta vs tors. theta energy: -42.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -421.411834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.411834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.411834 (E_RNA) where: Base-Base interactions energy: -237.794 where: short stacking energy: -123.169 Base-Backbone interact. energy: 1.128 local terms energy: -184.746303 where: bonds (distance) C4'-P energy: -49.960 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -42.201 flat angles P-C4'-P energy: -24.216 tors. eta vs tors. theta energy: -11.378 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: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -396.917293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.917293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.917293 (E_RNA) where: Base-Base interactions energy: -208.963 where: short stacking energy: -117.318 Base-Backbone interact. energy: 0.143 local terms energy: -188.097035 where: bonds (distance) C4'-P energy: -47.990 bonds (distance) P-C4' energy: -36.090 flat angles C4'-P-C4' energy: -46.964 flat angles P-C4'-P energy: -31.893 tors. eta vs tors. theta energy: -25.160 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: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -997.272734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.272734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.272734 (E_RNA) where: Base-Base interactions energy: -689.684 where: short stacking energy: -293.426 Base-Backbone interact. energy: -1.289 local terms energy: -306.299995 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -65.121 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -83.163 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: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1000.425933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.425933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.425933 (E_RNA) where: Base-Base interactions energy: -692.947 where: short stacking energy: -291.402 Base-Backbone interact. energy: -1.849 local terms energy: -305.629976 where: bonds (distance) C4'-P energy: -57.010 bonds (distance) P-C4' energy: -58.431 flat angles C4'-P-C4' energy: -71.970 flat angles P-C4'-P energy: -38.176 tors. eta vs tors. theta energy: -80.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -954.098149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.098149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.098149 (E_RNA) where: Base-Base interactions energy: -648.748 where: short stacking energy: -308.670 Base-Backbone interact. energy: -0.884 local terms energy: -304.466072 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -53.952 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -42.656 tors. eta vs tors. theta energy: -83.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -861.240839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.240839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.240839 (E_RNA) where: Base-Base interactions energy: -588.356 where: short stacking energy: -248.099 Base-Backbone interact. energy: -1.358 local terms energy: -271.526773 where: bonds (distance) C4'-P energy: -48.319 bonds (distance) P-C4' energy: -58.687 flat angles C4'-P-C4' energy: -58.913 flat angles P-C4'-P energy: -30.333 tors. eta vs tors. theta energy: -75.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -842.672859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.672859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.672859 (E_RNA) where: Base-Base interactions energy: -572.219 where: short stacking energy: -264.603 Base-Backbone interact. energy: 0.362 local terms energy: -270.815612 where: bonds (distance) C4'-P energy: -54.179 bonds (distance) P-C4' energy: -56.183 flat angles C4'-P-C4' energy: -58.965 flat angles P-C4'-P energy: -28.164 tors. eta vs tors. theta energy: -73.324 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: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -800.390434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.390434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.390434 (E_RNA) where: Base-Base interactions energy: -562.349 where: short stacking energy: -242.605 Base-Backbone interact. energy: -1.419 local terms energy: -236.622712 where: bonds (distance) C4'-P energy: -36.112 bonds (distance) P-C4' energy: -49.886 flat angles C4'-P-C4' energy: -50.526 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -58.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -666.814654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.814654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.814654 (E_RNA) where: Base-Base interactions energy: -421.214 where: short stacking energy: -199.399 Base-Backbone interact. energy: -0.633 local terms energy: -244.966986 where: bonds (distance) C4'-P energy: -51.018 bonds (distance) P-C4' energy: -57.779 flat angles C4'-P-C4' energy: -53.819 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -45.270 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: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -575.803221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.803221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.803221 (E_RNA) where: Base-Base interactions energy: -366.389 where: short stacking energy: -170.840 Base-Backbone interact. energy: 0.384 local terms energy: -209.797759 where: bonds (distance) C4'-P energy: -48.500 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -51.118 flat angles P-C4'-P energy: -29.614 tors. eta vs tors. theta energy: -23.988 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: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -456.685819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.685819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.685819 (E_RNA) where: Base-Base interactions energy: -260.815 where: short stacking energy: -129.911 Base-Backbone interact. energy: -1.358 local terms energy: -194.512124 where: bonds (distance) C4'-P energy: -45.602 bonds (distance) P-C4' energy: -47.484 flat angles C4'-P-C4' energy: -54.039 flat angles P-C4'-P energy: -31.157 tors. eta vs tors. theta energy: -16.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -361.390975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.390975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.390975 (E_RNA) where: Base-Base interactions energy: -180.810 where: short stacking energy: -72.387 Base-Backbone interact. energy: -2.548 local terms energy: -178.032978 where: bonds (distance) C4'-P energy: -47.369 bonds (distance) P-C4' energy: -57.981 flat angles C4'-P-C4' energy: -37.467 flat angles P-C4'-P energy: -37.298 tors. eta vs tors. theta energy: 2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -995.868697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.868697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.868697 (E_RNA) where: Base-Base interactions energy: -678.464 where: short stacking energy: -287.428 Base-Backbone interact. energy: -1.087 local terms energy: -316.317321 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -63.228 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -76.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -950.342601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.342601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.342601 (E_RNA) where: Base-Base interactions energy: -642.062 where: short stacking energy: -292.649 Base-Backbone interact. energy: -1.277 local terms energy: -307.003694 where: bonds (distance) C4'-P energy: -53.413 bonds (distance) P-C4' energy: -59.469 flat angles C4'-P-C4' energy: -64.050 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -83.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -992.760103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.760103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.760103 (E_RNA) where: Base-Base interactions energy: -698.649 where: short stacking energy: -293.480 Base-Backbone interact. energy: -1.054 local terms energy: -293.056594 where: bonds (distance) C4'-P energy: -51.980 bonds (distance) P-C4' energy: -57.581 flat angles C4'-P-C4' energy: -62.719 flat angles P-C4'-P energy: -39.671 tors. eta vs tors. theta energy: -81.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -877.013709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.013709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.013709 (E_RNA) where: Base-Base interactions energy: -590.593 where: short stacking energy: -266.275 Base-Backbone interact. energy: -0.313 local terms energy: -286.106980 where: bonds (distance) C4'-P energy: -60.568 bonds (distance) P-C4' energy: -56.092 flat angles C4'-P-C4' energy: -56.231 flat angles P-C4'-P energy: -33.205 tors. eta vs tors. theta energy: -80.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -857.901190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.901190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.901190 (E_RNA) where: Base-Base interactions energy: -597.768 where: short stacking energy: -263.399 Base-Backbone interact. energy: 1.887 local terms energy: -262.020796 where: bonds (distance) C4'-P energy: -47.055 bonds (distance) P-C4' energy: -47.018 flat angles C4'-P-C4' energy: -60.431 flat angles P-C4'-P energy: -35.039 tors. eta vs tors. theta energy: -72.478 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: 79 Temperature: 1.150000 Total energy: -782.519137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.519137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.519137 (E_RNA) where: Base-Base interactions energy: -533.133 where: short stacking energy: -244.678 Base-Backbone interact. energy: -0.494 local terms energy: -248.892023 where: bonds (distance) C4'-P energy: -56.367 bonds (distance) P-C4' energy: -45.490 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -32.781 tors. eta vs tors. theta energy: -55.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -638.208973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.208973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.208973 (E_RNA) where: Base-Base interactions energy: -412.082 where: short stacking energy: -195.984 Base-Backbone interact. energy: -0.789 local terms energy: -225.338149 where: bonds (distance) C4'-P energy: -44.430 bonds (distance) P-C4' energy: -55.906 flat angles C4'-P-C4' energy: -46.163 flat angles P-C4'-P energy: -34.356 tors. eta vs tors. theta energy: -44.482 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: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -574.478945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.478945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.478945 (E_RNA) where: Base-Base interactions energy: -364.313 where: short stacking energy: -170.722 Base-Backbone interact. energy: -1.432 local terms energy: -208.733660 where: bonds (distance) C4'-P energy: -45.628 bonds (distance) P-C4' energy: -50.540 flat angles C4'-P-C4' energy: -53.338 flat angles P-C4'-P energy: -24.310 tors. eta vs tors. theta energy: -34.918 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: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -417.087055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.087055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.087055 (E_RNA) where: Base-Base interactions energy: -227.422 where: short stacking energy: -119.640 Base-Backbone interact. energy: -0.449 local terms energy: -189.215942 where: bonds (distance) C4'-P energy: -47.762 bonds (distance) P-C4' energy: -62.667 flat angles C4'-P-C4' energy: -40.561 flat angles P-C4'-P energy: -23.522 tors. eta vs tors. theta energy: -14.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -359.474428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.474428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.474428 (E_RNA) where: Base-Base interactions energy: -204.044 where: short stacking energy: -112.711 Base-Backbone interact. energy: 3.806 local terms energy: -159.236443 where: bonds (distance) C4'-P energy: -36.986 bonds (distance) P-C4' energy: -37.311 flat angles C4'-P-C4' energy: -47.758 flat angles P-C4'-P energy: -26.519 tors. eta vs tors. theta energy: -10.663 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: 80 Temperature: 0.900000 Total energy: -1001.727447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.727447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.727447 (E_RNA) where: Base-Base interactions energy: -683.797 where: short stacking energy: -316.411 Base-Backbone interact. energy: -0.766 local terms energy: -317.164223 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -55.143 flat angles C4'-P-C4' energy: -69.866 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -86.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -960.808213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.808213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.808213 (E_RNA) where: Base-Base interactions energy: -651.390 where: short stacking energy: -297.663 Base-Backbone interact. energy: 0.836 local terms energy: -310.254412 where: bonds (distance) C4'-P energy: -59.410 bonds (distance) P-C4' energy: -56.892 flat angles C4'-P-C4' energy: -60.773 flat angles P-C4'-P energy: -49.669 tors. eta vs tors. theta energy: -83.510 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: 80 Temperature: 1.000000 Total energy: -1024.672009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.672009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.672009 (E_RNA) where: Base-Base interactions energy: -733.445 where: short stacking energy: -302.109 Base-Backbone interact. energy: -2.624 local terms energy: -288.603529 where: bonds (distance) C4'-P energy: -58.923 bonds (distance) P-C4' energy: -52.218 flat angles C4'-P-C4' energy: -58.817 flat angles P-C4'-P energy: -34.613 tors. eta vs tors. theta energy: -84.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -885.591148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.591148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.591148 (E_RNA) where: Base-Base interactions energy: -608.484 where: short stacking energy: -275.331 Base-Backbone interact. energy: -0.625 local terms energy: -276.482960 where: bonds (distance) C4'-P energy: -55.647 bonds (distance) P-C4' energy: -58.482 flat angles C4'-P-C4' energy: -51.427 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: -72.197 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -870.070565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.070565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.070565 (E_RNA) where: Base-Base interactions energy: -607.084 where: short stacking energy: -255.669 Base-Backbone interact. energy: -0.372 local terms energy: -262.614712 where: bonds (distance) C4'-P energy: -57.068 bonds (distance) P-C4' energy: -56.616 flat angles C4'-P-C4' energy: -55.790 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -58.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -821.016276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.016276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.016276 (E_RNA) where: Base-Base interactions energy: -575.830 where: short stacking energy: -238.745 Base-Backbone interact. energy: -0.540 local terms energy: -244.645400 where: bonds (distance) C4'-P energy: -44.154 bonds (distance) P-C4' energy: -43.843 flat angles C4'-P-C4' energy: -55.251 flat angles P-C4'-P energy: -34.716 tors. eta vs tors. theta energy: -66.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -611.970020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.970020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.970020 (E_RNA) where: Base-Base interactions energy: -383.094 where: short stacking energy: -175.625 Base-Backbone interact. energy: 0.953 local terms energy: -229.828896 where: bonds (distance) C4'-P energy: -51.297 bonds (distance) P-C4' energy: -50.437 flat angles C4'-P-C4' energy: -63.291 flat angles P-C4'-P energy: -34.546 tors. eta vs tors. theta energy: -30.258 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: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -548.851238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.851238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.851238 (E_RNA) where: Base-Base interactions energy: -339.514 where: short stacking energy: -158.415 Base-Backbone interact. energy: 1.925 local terms energy: -211.262018 where: bonds (distance) C4'-P energy: -48.897 bonds (distance) P-C4' energy: -45.487 flat angles C4'-P-C4' energy: -51.393 flat angles P-C4'-P energy: -42.513 tors. eta vs tors. theta energy: -22.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -467.712355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.712355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.712355 (E_RNA) where: Base-Base interactions energy: -283.697 where: short stacking energy: -137.037 Base-Backbone interact. energy: -2.066 local terms energy: -181.949023 where: bonds (distance) C4'-P energy: -39.404 bonds (distance) P-C4' energy: -46.258 flat angles C4'-P-C4' energy: -59.445 flat angles P-C4'-P energy: -23.348 tors. eta vs tors. theta energy: -13.494 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: 80 Temperature: 1.350000 Total energy: -337.988871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.988871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.988871 (E_RNA) where: Base-Base interactions energy: -173.484 where: short stacking energy: -104.959 Base-Backbone interact. energy: -2.065 local terms energy: -162.439930 where: bonds (distance) C4'-P energy: -46.169 bonds (distance) P-C4' energy: -54.035 flat angles C4'-P-C4' energy: -39.096 flat angles P-C4'-P energy: -19.987 tors. eta vs tors. theta energy: -3.152 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: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1010.865039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.865039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.865039 (E_RNA) where: Base-Base interactions energy: -701.339 where: short stacking energy: -314.473 Base-Backbone interact. energy: -1.404 local terms energy: -308.122492 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -59.420 flat angles P-C4'-P energy: -43.241 tors. eta vs tors. theta energy: -87.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1020.516164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.516164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.516164 (E_RNA) where: Base-Base interactions energy: -725.552 where: short stacking energy: -297.742 Base-Backbone interact. energy: -0.366 local terms energy: -294.597790 where: bonds (distance) C4'-P energy: -56.605 bonds (distance) P-C4' energy: -61.193 flat angles C4'-P-C4' energy: -61.095 flat angles P-C4'-P energy: -32.785 tors. eta vs tors. theta energy: -82.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -934.232503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.232503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.232503 (E_RNA) where: Base-Base interactions energy: -627.419 where: short stacking energy: -286.664 Base-Backbone interact. energy: -1.690 local terms energy: -305.122665 where: bonds (distance) C4'-P energy: -45.331 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -63.428 flat angles P-C4'-P energy: -47.103 tors. eta vs tors. theta energy: -82.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -880.872881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.872881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.872881 (E_RNA) where: Base-Base interactions energy: -612.127 where: short stacking energy: -261.634 Base-Backbone interact. energy: -2.897 local terms energy: -265.849192 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -48.449 flat angles C4'-P-C4' energy: -58.357 flat angles P-C4'-P energy: -40.629 tors. eta vs tors. theta energy: -69.441 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: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -869.403412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.403412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.403412 (E_RNA) where: Base-Base interactions energy: -585.179 where: short stacking energy: -280.480 Base-Backbone interact. energy: -1.728 local terms energy: -282.496237 where: bonds (distance) C4'-P energy: -50.084 bonds (distance) P-C4' energy: -46.244 flat angles C4'-P-C4' energy: -61.980 flat angles P-C4'-P energy: -43.582 tors. eta vs tors. theta energy: -80.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -796.566797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.566797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.566797 (E_RNA) where: Base-Base interactions energy: -528.530 where: short stacking energy: -214.793 Base-Backbone interact. energy: -0.638 local terms energy: -267.399441 where: bonds (distance) C4'-P energy: -53.323 bonds (distance) P-C4' energy: -47.269 flat angles C4'-P-C4' energy: -54.173 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -64.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -652.133976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.133976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.133976 (E_RNA) where: Base-Base interactions energy: -401.498 where: short stacking energy: -178.094 Base-Backbone interact. energy: -0.829 local terms energy: -249.806553 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -58.112 flat angles P-C4'-P energy: -33.465 tors. eta vs tors. theta energy: -47.182 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: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -565.793835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.793835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.793835 (E_RNA) where: Base-Base interactions energy: -358.141 where: short stacking energy: -187.750 Base-Backbone interact. energy: 2.614 local terms energy: -210.266183 where: bonds (distance) C4'-P energy: -47.953 bonds (distance) P-C4' energy: -51.347 flat angles C4'-P-C4' energy: -49.400 flat angles P-C4'-P energy: -26.999 tors. eta vs tors. theta energy: -34.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -470.579841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.579841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.579841 (E_RNA) where: Base-Base interactions energy: -270.407 where: short stacking energy: -129.928 Base-Backbone interact. energy: -0.746 local terms energy: -199.427016 where: bonds (distance) C4'-P energy: -54.394 bonds (distance) P-C4' energy: -53.436 flat angles C4'-P-C4' energy: -56.371 flat angles P-C4'-P energy: -24.529 tors. eta vs tors. theta energy: -10.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -342.210265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.210265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.210265 (E_RNA) where: Base-Base interactions energy: -173.155 where: short stacking energy: -103.843 Base-Backbone interact. energy: 0.817 local terms energy: -169.871833 where: bonds (distance) C4'-P energy: -34.928 bonds (distance) P-C4' energy: -54.718 flat angles C4'-P-C4' energy: -52.068 flat angles P-C4'-P energy: -26.988 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1041.066654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.066654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.066654 (E_RNA) where: Base-Base interactions energy: -716.946 where: short stacking energy: -299.031 Base-Backbone interact. energy: 0.690 local terms energy: -324.810622 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -69.288 flat angles P-C4'-P energy: -50.724 tors. eta vs tors. theta energy: -86.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1007.693820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.693820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.693820 (E_RNA) where: Base-Base interactions energy: -702.728 where: short stacking energy: -298.628 Base-Backbone interact. energy: -2.186 local terms energy: -302.779431 where: bonds (distance) C4'-P energy: -56.293 bonds (distance) P-C4' energy: -62.171 flat angles C4'-P-C4' energy: -59.758 flat angles P-C4'-P energy: -47.575 tors. eta vs tors. theta energy: -76.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -947.771657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.771657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.771657 (E_RNA) where: Base-Base interactions energy: -633.132 where: short stacking energy: -294.744 Base-Backbone interact. energy: -1.100 local terms energy: -313.539157 where: bonds (distance) C4'-P energy: -55.934 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -60.180 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -91.076 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: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -883.345016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.345016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.345016 (E_RNA) where: Base-Base interactions energy: -603.758 where: short stacking energy: -268.817 Base-Backbone interact. energy: 3.297 local terms energy: -282.884282 where: bonds (distance) C4'-P energy: -54.604 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -58.286 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -66.721 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: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -863.032102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.032102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.032102 (E_RNA) where: Base-Base interactions energy: -590.706 where: short stacking energy: -271.238 Base-Backbone interact. energy: -1.837 local terms energy: -270.488711 where: bonds (distance) C4'-P energy: -51.292 bonds (distance) P-C4' energy: -59.387 flat angles C4'-P-C4' energy: -54.546 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -68.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -833.716877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.716877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.716877 (E_RNA) where: Base-Base interactions energy: -570.010 where: short stacking energy: -260.933 Base-Backbone interact. energy: 1.530 local terms energy: -265.237204 where: bonds (distance) C4'-P energy: -50.633 bonds (distance) P-C4' energy: -45.390 flat angles C4'-P-C4' energy: -65.038 flat angles P-C4'-P energy: -32.016 tors. eta vs tors. theta energy: -72.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -601.664552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.664552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.664552 (E_RNA) where: Base-Base interactions energy: -375.614 where: short stacking energy: -177.431 Base-Backbone interact. energy: -0.785 local terms energy: -225.265617 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -45.470 flat angles C4'-P-C4' energy: -46.645 flat angles P-C4'-P energy: -33.707 tors. eta vs tors. theta energy: -40.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -572.675571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.675571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.675571 (E_RNA) where: Base-Base interactions energy: -354.547 where: short stacking energy: -164.208 Base-Backbone interact. energy: 0.861 local terms energy: -218.990394 where: bonds (distance) C4'-P energy: -53.155 bonds (distance) P-C4' energy: -51.965 flat angles C4'-P-C4' energy: -52.308 flat angles P-C4'-P energy: -32.578 tors. eta vs tors. theta energy: -28.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -422.554146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.554146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.554146 (E_RNA) where: Base-Base interactions energy: -236.405 where: short stacking energy: -121.220 Base-Backbone interact. energy: 1.237 local terms energy: -187.386508 where: bonds (distance) C4'-P energy: -48.735 bonds (distance) P-C4' energy: -52.820 flat angles C4'-P-C4' energy: -42.526 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -299.931087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.931087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.931087 (E_RNA) where: Base-Base interactions energy: -138.851 where: short stacking energy: -105.160 Base-Backbone interact. energy: -0.489 local terms energy: -160.591452 where: bonds (distance) C4'-P energy: -44.627 bonds (distance) P-C4' energy: -51.116 flat angles C4'-P-C4' energy: -32.023 flat angles P-C4'-P energy: -34.613 tors. eta vs tors. theta energy: 1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1027.915125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.915125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.915125 (E_RNA) where: Base-Base interactions energy: -712.101 where: short stacking energy: -309.600 Base-Backbone interact. energy: -1.815 local terms energy: -313.999027 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -59.552 flat angles C4'-P-C4' energy: -74.525 flat angles P-C4'-P energy: -38.616 tors. eta vs tors. theta energy: -82.366 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: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -983.558385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.558385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.558385 (E_RNA) where: Base-Base interactions energy: -672.183 where: short stacking energy: -286.466 Base-Backbone interact. energy: 0.024 local terms energy: -311.398478 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -47.426 tors. eta vs tors. theta energy: -79.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -945.806796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.806796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.806796 (E_RNA) where: Base-Base interactions energy: -639.636 where: short stacking energy: -281.035 Base-Backbone interact. energy: -1.862 local terms energy: -304.308315 where: bonds (distance) C4'-P energy: -53.422 bonds (distance) P-C4' energy: -54.801 flat angles C4'-P-C4' energy: -65.068 flat angles P-C4'-P energy: -46.052 tors. eta vs tors. theta energy: -84.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -873.792486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.792486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.792486 (E_RNA) where: Base-Base interactions energy: -588.917 where: short stacking energy: -260.089 Base-Backbone interact. energy: -2.723 local terms energy: -282.152823 where: bonds (distance) C4'-P energy: -52.248 bonds (distance) P-C4' energy: -56.388 flat angles C4'-P-C4' energy: -62.299 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: -78.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -870.677606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.677606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.677606 (E_RNA) where: Base-Base interactions energy: -585.104 where: short stacking energy: -261.280 Base-Backbone interact. energy: -2.275 local terms energy: -283.298541 where: bonds (distance) C4'-P energy: -58.321 bonds (distance) P-C4' energy: -58.990 flat angles C4'-P-C4' energy: -69.309 flat angles P-C4'-P energy: -28.079 tors. eta vs tors. theta energy: -68.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -820.231759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.231759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.231759 (E_RNA) where: Base-Base interactions energy: -542.999 where: short stacking energy: -250.435 Base-Backbone interact. energy: 2.709 local terms energy: -279.941530 where: bonds (distance) C4'-P energy: -52.276 bonds (distance) P-C4' energy: -55.467 flat angles C4'-P-C4' energy: -65.308 flat angles P-C4'-P energy: -36.110 tors. eta vs tors. theta energy: -70.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -668.176223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.176223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.176223 (E_RNA) where: Base-Base interactions energy: -441.987 where: short stacking energy: -198.865 Base-Backbone interact. energy: 1.110 local terms energy: -227.299728 where: bonds (distance) C4'-P energy: -53.021 bonds (distance) P-C4' energy: -54.321 flat angles C4'-P-C4' energy: -50.012 flat angles P-C4'-P energy: -30.498 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: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -451.047017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.047017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.047017 (E_RNA) where: Base-Base interactions energy: -253.590 where: short stacking energy: -153.700 Base-Backbone interact. energy: -0.342 local terms energy: -197.115079 where: bonds (distance) C4'-P energy: -39.086 bonds (distance) P-C4' energy: -52.224 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -34.232 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -475.305130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.305130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.305130 (E_RNA) where: Base-Base interactions energy: -298.372 where: short stacking energy: -125.166 Base-Backbone interact. energy: -1.772 local terms energy: -175.160636 where: bonds (distance) C4'-P energy: -55.176 bonds (distance) P-C4' energy: -44.936 flat angles C4'-P-C4' energy: -51.136 flat angles P-C4'-P energy: -21.950 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -324.946738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.946738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.946738 (E_RNA) where: Base-Base interactions energy: -158.426 where: short stacking energy: -99.969 Base-Backbone interact. energy: 1.575 local terms energy: -168.095776 where: bonds (distance) C4'-P energy: -38.289 bonds (distance) P-C4' energy: -54.173 flat angles C4'-P-C4' energy: -36.345 flat angles P-C4'-P energy: -33.272 tors. eta vs tors. theta energy: -6.017 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: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1034.385869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.385869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.385869 (E_RNA) where: Base-Base interactions energy: -716.325 where: short stacking energy: -312.115 Base-Backbone interact. energy: -1.577 local terms energy: -316.483957 where: bonds (distance) C4'-P energy: -56.548 bonds (distance) P-C4' energy: -56.757 flat angles C4'-P-C4' energy: -67.127 flat angles P-C4'-P energy: -48.281 tors. eta vs tors. theta energy: -87.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -991.839731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.839731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.839731 (E_RNA) where: Base-Base interactions energy: -691.407 where: short stacking energy: -288.369 Base-Backbone interact. energy: -1.013 local terms energy: -299.420639 where: bonds (distance) C4'-P energy: -59.587 bonds (distance) P-C4' energy: -55.046 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -40.304 tors. eta vs tors. theta energy: -78.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -939.983584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.983584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.983584 (E_RNA) where: Base-Base interactions energy: -629.230 where: short stacking energy: -278.430 Base-Backbone interact. energy: -0.514 local terms energy: -310.240115 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -59.898 flat angles C4'-P-C4' energy: -62.736 flat angles P-C4'-P energy: -41.727 tors. eta vs tors. theta energy: -86.797 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -866.075216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.075216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.075216 (E_RNA) where: Base-Base interactions energy: -575.432 where: short stacking energy: -264.874 Base-Backbone interact. energy: -0.412 local terms energy: -290.231598 where: bonds (distance) C4'-P energy: -61.848 bonds (distance) P-C4' energy: -57.937 flat angles C4'-P-C4' energy: -63.280 flat angles P-C4'-P energy: -35.518 tors. eta vs tors. theta energy: -71.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -841.666366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.666366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.666366 (E_RNA) where: Base-Base interactions energy: -564.999 where: short stacking energy: -244.828 Base-Backbone interact. energy: -1.341 local terms energy: -275.326890 where: bonds (distance) C4'-P energy: -56.395 bonds (distance) P-C4' energy: -40.591 flat angles C4'-P-C4' energy: -62.812 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -71.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -831.097087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.097087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.097087 (E_RNA) where: Base-Base interactions energy: -551.607 where: short stacking energy: -253.859 Base-Backbone interact. energy: -3.462 local terms energy: -276.028239 where: bonds (distance) C4'-P energy: -55.039 bonds (distance) P-C4' energy: -54.947 flat angles C4'-P-C4' energy: -58.316 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -66.177 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -636.041793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.041793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.041793 (E_RNA) where: Base-Base interactions energy: -413.927 where: short stacking energy: -192.693 Base-Backbone interact. energy: 0.033 local terms energy: -222.147215 where: bonds (distance) C4'-P energy: -44.754 bonds (distance) P-C4' energy: -56.203 flat angles C4'-P-C4' energy: -51.635 flat angles P-C4'-P energy: -33.777 tors. eta vs tors. theta energy: -35.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -422.061107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.061107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.061107 (E_RNA) where: Base-Base interactions energy: -239.724 where: short stacking energy: -135.065 Base-Backbone interact. energy: 2.171 local terms energy: -184.507884 where: bonds (distance) C4'-P energy: -37.943 bonds (distance) P-C4' energy: -45.799 flat angles C4'-P-C4' energy: -52.795 flat angles P-C4'-P energy: -26.852 tors. eta vs tors. theta energy: -21.119 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: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -496.129935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.129935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.129935 (E_RNA) where: Base-Base interactions energy: -299.531 where: short stacking energy: -142.020 Base-Backbone interact. energy: 2.721 local terms energy: -199.320320 where: bonds (distance) C4'-P energy: -41.152 bonds (distance) P-C4' energy: -46.744 flat angles C4'-P-C4' energy: -52.638 flat angles P-C4'-P energy: -35.508 tors. eta vs tors. theta energy: -23.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -359.112068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.112068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.112068 (E_RNA) where: Base-Base interactions energy: -194.901 where: short stacking energy: -109.781 Base-Backbone interact. energy: 0.585 local terms energy: -164.795362 where: bonds (distance) C4'-P energy: -42.704 bonds (distance) P-C4' energy: -46.640 flat angles C4'-P-C4' energy: -44.228 flat angles P-C4'-P energy: -21.096 tors. eta vs tors. theta energy: -10.128 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: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1054.755102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.755102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.755102 (E_RNA) where: Base-Base interactions energy: -734.309 where: short stacking energy: -306.737 Base-Backbone interact. energy: -1.982 local terms energy: -318.463476 where: bonds (distance) C4'-P energy: -59.888 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -67.851 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: -87.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -953.291706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.291706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.291706 (E_RNA) where: Base-Base interactions energy: -655.349 where: short stacking energy: -286.650 Base-Backbone interact. energy: -0.544 local terms energy: -297.398053 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -53.061 flat angles C4'-P-C4' energy: -62.514 flat angles P-C4'-P energy: -50.495 tors. eta vs tors. theta energy: -75.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -939.079862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.079862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.079862 (E_RNA) where: Base-Base interactions energy: -642.803 where: short stacking energy: -281.852 Base-Backbone interact. energy: -1.344 local terms energy: -294.933386 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -56.700 flat angles C4'-P-C4' energy: -61.222 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -80.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -867.212705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.212705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.212705 (E_RNA) where: Base-Base interactions energy: -572.768 where: short stacking energy: -269.346 Base-Backbone interact. energy: -2.007 local terms energy: -292.437497 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -59.129 flat angles C4'-P-C4' energy: -59.222 flat angles P-C4'-P energy: -40.947 tors. eta vs tors. theta energy: -77.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -791.706366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.706366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.706366 (E_RNA) where: Base-Base interactions energy: -538.581 where: short stacking energy: -237.496 Base-Backbone interact. energy: 1.189 local terms energy: -254.314503 where: bonds (distance) C4'-P energy: -51.950 bonds (distance) P-C4' energy: -55.757 flat angles C4'-P-C4' energy: -53.053 flat angles P-C4'-P energy: -34.351 tors. eta vs tors. theta energy: -59.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -812.749589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.749589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.749589 (E_RNA) where: Base-Base interactions energy: -555.372 where: short stacking energy: -250.529 Base-Backbone interact. energy: -0.281 local terms energy: -257.096127 where: bonds (distance) C4'-P energy: -50.280 bonds (distance) P-C4' energy: -55.660 flat angles C4'-P-C4' energy: -51.972 flat angles P-C4'-P energy: -38.705 tors. eta vs tors. theta energy: -60.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -615.995314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.995314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.995314 (E_RNA) where: Base-Base interactions energy: -392.236 where: short stacking energy: -188.353 Base-Backbone interact. energy: -0.756 local terms energy: -223.002780 where: bonds (distance) C4'-P energy: -46.974 bonds (distance) P-C4' energy: -47.934 flat angles C4'-P-C4' energy: -60.016 flat angles P-C4'-P energy: -30.611 tors. eta vs tors. theta energy: -37.467 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: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -542.765636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.765636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.765636 (E_RNA) where: Base-Base interactions energy: -327.849 where: short stacking energy: -156.681 Base-Backbone interact. energy: -0.161 local terms energy: -214.755915 where: bonds (distance) C4'-P energy: -55.978 bonds (distance) P-C4' energy: -55.917 flat angles C4'-P-C4' energy: -47.753 flat angles P-C4'-P energy: -27.384 tors. eta vs tors. theta energy: -27.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -422.845017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.845017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.845017 (E_RNA) where: Base-Base interactions energy: -251.101 where: short stacking energy: -137.959 Base-Backbone interact. energy: 0.575 local terms energy: -172.319907 where: bonds (distance) C4'-P energy: -50.754 bonds (distance) P-C4' energy: -39.118 flat angles C4'-P-C4' energy: -41.380 flat angles P-C4'-P energy: -26.033 tors. eta vs tors. theta energy: -15.034 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: 85 Temperature: 1.350000 Total energy: -342.488309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.488309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.488309 (E_RNA) where: Base-Base interactions energy: -168.729 where: short stacking energy: -103.600 Base-Backbone interact. energy: 0.367 local terms energy: -174.126601 where: bonds (distance) C4'-P energy: -53.939 bonds (distance) P-C4' energy: -42.986 flat angles C4'-P-C4' energy: -46.282 flat angles P-C4'-P energy: -29.292 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1052.984666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.984666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.984666 (E_RNA) where: Base-Base interactions energy: -727.528 where: short stacking energy: -311.120 Base-Backbone interact. energy: -1.341 local terms energy: -324.116158 where: bonds (distance) C4'-P energy: -67.096 bonds (distance) P-C4' energy: -60.448 flat angles C4'-P-C4' energy: -64.589 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -88.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -966.550446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.550446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.550446 (E_RNA) where: Base-Base interactions energy: -670.353 where: short stacking energy: -290.875 Base-Backbone interact. energy: 0.529 local terms energy: -296.726725 where: bonds (distance) C4'-P energy: -55.497 bonds (distance) P-C4' energy: -56.725 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -72.719 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: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -932.746439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.746439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.746439 (E_RNA) where: Base-Base interactions energy: -632.301 where: short stacking energy: -269.764 Base-Backbone interact. energy: 0.801 local terms energy: -301.246305 where: bonds (distance) C4'-P energy: -53.827 bonds (distance) P-C4' energy: -56.253 flat angles C4'-P-C4' energy: -59.073 flat angles P-C4'-P energy: -53.537 tors. eta vs tors. theta energy: -78.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -877.895387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.895387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.895387 (E_RNA) where: Base-Base interactions energy: -586.651 where: short stacking energy: -263.197 Base-Backbone interact. energy: -1.158 local terms energy: -290.086102 where: bonds (distance) C4'-P energy: -57.924 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -66.648 flat angles P-C4'-P energy: -35.631 tors. eta vs tors. theta energy: -72.520 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: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -867.869525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.869525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.869525 (E_RNA) where: Base-Base interactions energy: -573.134 where: short stacking energy: -257.155 Base-Backbone interact. energy: 0.007 local terms energy: -294.742027 where: bonds (distance) C4'-P energy: -47.216 bonds (distance) P-C4' energy: -67.003 flat angles C4'-P-C4' energy: -68.197 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -72.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -780.743941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.743941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.743941 (E_RNA) where: Base-Base interactions energy: -537.120 where: short stacking energy: -243.409 Base-Backbone interact. energy: 0.459 local terms energy: -244.083297 where: bonds (distance) C4'-P energy: -48.676 bonds (distance) P-C4' energy: -56.053 flat angles C4'-P-C4' energy: -53.661 flat angles P-C4'-P energy: -34.636 tors. eta vs tors. theta energy: -51.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -604.830543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.830543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.830543 (E_RNA) where: Base-Base interactions energy: -358.125 where: short stacking energy: -180.260 Base-Backbone interact. energy: -1.614 local terms energy: -245.090799 where: bonds (distance) C4'-P energy: -52.427 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -49.764 flat angles P-C4'-P energy: -42.385 tors. eta vs tors. theta energy: -37.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -600.241884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.241884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.241884 (E_RNA) where: Base-Base interactions energy: -362.988 where: short stacking energy: -193.771 Base-Backbone interact. energy: -0.840 local terms energy: -236.413793 where: bonds (distance) C4'-P energy: -50.994 bonds (distance) P-C4' energy: -62.973 flat angles C4'-P-C4' energy: -48.556 flat angles P-C4'-P energy: -25.277 tors. eta vs tors. theta energy: -48.615 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -412.580234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.580234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.580234 (E_RNA) where: Base-Base interactions energy: -240.411 where: short stacking energy: -109.090 Base-Backbone interact. energy: -0.535 local terms energy: -171.633319 where: bonds (distance) C4'-P energy: -56.485 bonds (distance) P-C4' energy: -58.271 flat angles C4'-P-C4' energy: -40.145 flat angles P-C4'-P energy: -15.340 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -385.030380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.030380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.030380 (E_RNA) where: Base-Base interactions energy: -203.575 where: short stacking energy: -124.695 Base-Backbone interact. energy: 2.083 local terms energy: -183.539272 where: bonds (distance) C4'-P energy: -45.624 bonds (distance) P-C4' energy: -37.254 flat angles C4'-P-C4' energy: -51.443 flat angles P-C4'-P energy: -36.575 tors. eta vs tors. theta energy: -12.644 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: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1041.966330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.966330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.966330 (E_RNA) where: Base-Base interactions energy: -722.978 where: short stacking energy: -303.136 Base-Backbone interact. energy: -0.471 local terms energy: -318.517616 where: bonds (distance) C4'-P energy: -51.328 bonds (distance) P-C4' energy: -59.789 flat angles C4'-P-C4' energy: -70.337 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: -85.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -963.224510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.224510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.224510 (E_RNA) where: Base-Base interactions energy: -672.160 where: short stacking energy: -292.588 Base-Backbone interact. energy: 0.209 local terms energy: -291.272897 where: bonds (distance) C4'-P energy: -52.644 bonds (distance) P-C4' energy: -45.141 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -80.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -942.105124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.105124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.105124 (E_RNA) where: Base-Base interactions energy: -658.591 where: short stacking energy: -276.235 Base-Backbone interact. energy: -1.629 local terms energy: -281.885556 where: bonds (distance) C4'-P energy: -63.625 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -56.095 flat angles P-C4'-P energy: -32.767 tors. eta vs tors. theta energy: -77.569 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: 87 Temperature: 1.050000 Total energy: -925.034809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.034809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.034809 (E_RNA) where: Base-Base interactions energy: -637.029 where: short stacking energy: -277.159 Base-Backbone interact. energy: -1.040 local terms energy: -286.966427 where: bonds (distance) C4'-P energy: -54.778 bonds (distance) P-C4' energy: -54.650 flat angles C4'-P-C4' energy: -61.762 flat angles P-C4'-P energy: -33.960 tors. eta vs tors. theta energy: -81.817 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: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -851.899192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.899192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.899192 (E_RNA) where: Base-Base interactions energy: -573.609 where: short stacking energy: -264.311 Base-Backbone interact. energy: -1.246 local terms energy: -277.043892 where: bonds (distance) C4'-P energy: -60.710 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -52.250 flat angles P-C4'-P energy: -32.875 tors. eta vs tors. theta energy: -72.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -780.157931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.157931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.157931 (E_RNA) where: Base-Base interactions energy: -532.303 where: short stacking energy: -241.443 Base-Backbone interact. energy: 0.467 local terms energy: -248.322428 where: bonds (distance) C4'-P energy: -58.067 bonds (distance) P-C4' energy: -50.148 flat angles C4'-P-C4' energy: -53.375 flat angles P-C4'-P energy: -27.765 tors. eta vs tors. theta energy: -58.968 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: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -623.173693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.173693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.173693 (E_RNA) where: Base-Base interactions energy: -391.351 where: short stacking energy: -201.194 Base-Backbone interact. energy: 2.893 local terms energy: -234.715963 where: bonds (distance) C4'-P energy: -38.869 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -58.983 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: -37.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -590.526508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.526508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.526508 (E_RNA) where: Base-Base interactions energy: -388.872 where: short stacking energy: -175.156 Base-Backbone interact. energy: 2.593 local terms energy: -204.248164 where: bonds (distance) C4'-P energy: -44.368 bonds (distance) P-C4' energy: -52.668 flat angles C4'-P-C4' energy: -52.445 flat angles P-C4'-P energy: -25.863 tors. eta vs tors. theta energy: -28.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -393.320980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.320980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.320980 (E_RNA) where: Base-Base interactions energy: -225.994 where: short stacking energy: -113.649 Base-Backbone interact. energy: 1.426 local terms energy: -168.753099 where: bonds (distance) C4'-P energy: -54.137 bonds (distance) P-C4' energy: -35.425 flat angles C4'-P-C4' energy: -44.864 flat angles P-C4'-P energy: -29.946 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -343.227651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.227651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.227651 (E_RNA) where: Base-Base interactions energy: -180.832 where: short stacking energy: -96.133 Base-Backbone interact. energy: 3.306 local terms energy: -165.702446 where: bonds (distance) C4'-P energy: -46.095 bonds (distance) P-C4' energy: -43.314 flat angles C4'-P-C4' energy: -47.503 flat angles P-C4'-P energy: -21.109 tors. eta vs tors. theta energy: -7.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1020.669063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.669063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.669063 (E_RNA) where: Base-Base interactions energy: -726.163 where: short stacking energy: -305.476 Base-Backbone interact. energy: -1.001 local terms energy: -293.505938 where: bonds (distance) C4'-P energy: -55.421 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -74.883 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: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1008.386706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.386706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.386706 (E_RNA) where: Base-Base interactions energy: -703.743 where: short stacking energy: -307.236 Base-Backbone interact. energy: -0.498 local terms energy: -304.144995 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -55.132 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -83.556 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: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -938.256693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.256693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.256693 (E_RNA) where: Base-Base interactions energy: -637.229 where: short stacking energy: -278.013 Base-Backbone interact. energy: -0.967 local terms energy: -300.060897 where: bonds (distance) C4'-P energy: -58.073 bonds (distance) P-C4' energy: -60.043 flat angles C4'-P-C4' energy: -59.748 flat angles P-C4'-P energy: -45.608 tors. eta vs tors. theta energy: -76.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -906.997482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.997482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.997482 (E_RNA) where: Base-Base interactions energy: -620.224 where: short stacking energy: -265.953 Base-Backbone interact. energy: -0.710 local terms energy: -286.063952 where: bonds (distance) C4'-P energy: -55.590 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -68.330 flat angles P-C4'-P energy: -29.619 tors. eta vs tors. theta energy: -79.828 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -804.654282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.654282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.654282 (E_RNA) where: Base-Base interactions energy: -533.914 where: short stacking energy: -230.976 Base-Backbone interact. energy: -0.883 local terms energy: -269.856864 where: bonds (distance) C4'-P energy: -56.641 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -63.481 flat angles P-C4'-P energy: -34.807 tors. eta vs tors. theta energy: -57.448 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: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -812.453505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.453505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.453505 (E_RNA) where: Base-Base interactions energy: -539.182 where: short stacking energy: -250.331 Base-Backbone interact. energy: -2.122 local terms energy: -271.149344 where: bonds (distance) C4'-P energy: -43.316 bonds (distance) P-C4' energy: -55.916 flat angles C4'-P-C4' energy: -58.880 flat angles P-C4'-P energy: -40.649 tors. eta vs tors. theta energy: -72.388 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: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -626.566732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.566732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.566732 (E_RNA) where: Base-Base interactions energy: -397.866 where: short stacking energy: -182.704 Base-Backbone interact. energy: -0.987 local terms energy: -227.713760 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -53.607 flat angles C4'-P-C4' energy: -42.566 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: -46.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -614.840374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.840374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.840374 (E_RNA) where: Base-Base interactions energy: -399.500 where: short stacking energy: -162.133 Base-Backbone interact. energy: 1.293 local terms energy: -216.633165 where: bonds (distance) C4'-P energy: -43.417 bonds (distance) P-C4' energy: -51.334 flat angles C4'-P-C4' energy: -48.410 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -40.178 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: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -409.587121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.587121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.587121 (E_RNA) where: Base-Base interactions energy: -213.088 where: short stacking energy: -112.351 Base-Backbone interact. energy: 1.469 local terms energy: -197.967373 where: bonds (distance) C4'-P energy: -53.437 bonds (distance) P-C4' energy: -54.601 flat angles C4'-P-C4' energy: -55.901 flat angles P-C4'-P energy: -27.807 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -363.402186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.402186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.402186 (E_RNA) where: Base-Base interactions energy: -178.866 where: short stacking energy: -101.230 Base-Backbone interact. energy: 0.006 local terms energy: -184.542286 where: bonds (distance) C4'-P energy: -50.618 bonds (distance) P-C4' energy: -51.583 flat angles C4'-P-C4' energy: -43.567 flat angles P-C4'-P energy: -32.453 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1010.096283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.096283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.096283 (E_RNA) where: Base-Base interactions energy: -708.597 where: short stacking energy: -295.931 Base-Backbone interact. energy: -2.064 local terms energy: -299.435553 where: bonds (distance) C4'-P energy: -52.177 bonds (distance) P-C4' energy: -59.375 flat angles C4'-P-C4' energy: -69.230 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -71.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1010.765257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.765257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.765257 (E_RNA) where: Base-Base interactions energy: -704.400 where: short stacking energy: -297.324 Base-Backbone interact. energy: -2.860 local terms energy: -303.505940 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -59.583 flat angles C4'-P-C4' energy: -64.200 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: -81.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -954.491581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.491581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.491581 (E_RNA) where: Base-Base interactions energy: -665.653 where: short stacking energy: -303.557 Base-Backbone interact. energy: -1.272 local terms energy: -287.565733 where: bonds (distance) C4'-P energy: -49.789 bonds (distance) P-C4' energy: -56.636 flat angles C4'-P-C4' energy: -63.903 flat angles P-C4'-P energy: -35.042 tors. eta vs tors. theta energy: -82.196 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: 89 Temperature: 1.050000 Total energy: -906.777126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.777126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.777126 (E_RNA) where: Base-Base interactions energy: -615.760 where: short stacking energy: -265.682 Base-Backbone interact. energy: -0.355 local terms energy: -290.662234 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -52.043 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -75.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -800.486526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.486526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.486526 (E_RNA) where: Base-Base interactions energy: -540.312 where: short stacking energy: -242.062 Base-Backbone interact. energy: -1.982 local terms energy: -258.192808 where: bonds (distance) C4'-P energy: -52.561 bonds (distance) P-C4' energy: -51.289 flat angles C4'-P-C4' energy: -53.775 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: -59.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -805.970233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.970233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.970233 (E_RNA) where: Base-Base interactions energy: -522.282 where: short stacking energy: -229.646 Base-Backbone interact. energy: 0.703 local terms energy: -284.390509 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -56.959 flat angles C4'-P-C4' energy: -65.211 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -56.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -604.392275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.392275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.392275 (E_RNA) where: Base-Base interactions energy: -392.868 where: short stacking energy: -184.186 Base-Backbone interact. energy: -0.205 local terms energy: -211.319289 where: bonds (distance) C4'-P energy: -52.071 bonds (distance) P-C4' energy: -33.431 flat angles C4'-P-C4' energy: -61.178 flat angles P-C4'-P energy: -26.705 tors. eta vs tors. theta energy: -37.933 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: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -618.767651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.767651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.767651 (E_RNA) where: Base-Base interactions energy: -375.417 where: short stacking energy: -193.944 Base-Backbone interact. energy: -1.357 local terms energy: -241.993785 where: bonds (distance) C4'-P energy: -52.363 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -51.835 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: -45.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -420.723772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.723772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.723772 (E_RNA) where: Base-Base interactions energy: -226.102 where: short stacking energy: -109.468 Base-Backbone interact. energy: 2.088 local terms energy: -196.709870 where: bonds (distance) C4'-P energy: -45.735 bonds (distance) P-C4' energy: -56.076 flat angles C4'-P-C4' energy: -51.918 flat angles P-C4'-P energy: -27.446 tors. eta vs tors. theta energy: -15.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -365.807080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.807080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.807080 (E_RNA) where: Base-Base interactions energy: -207.690 where: short stacking energy: -123.686 Base-Backbone interact. energy: -1.696 local terms energy: -156.420715 where: bonds (distance) C4'-P energy: -39.626 bonds (distance) P-C4' energy: -42.255 flat angles C4'-P-C4' energy: -38.272 flat angles P-C4'-P energy: -24.566 tors. eta vs tors. theta energy: -11.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1041.873217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.873217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.873217 (E_RNA) where: Base-Base interactions energy: -723.151 where: short stacking energy: -300.103 Base-Backbone interact. energy: -1.846 local terms energy: -316.876658 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -61.037 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -85.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -978.355737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.355737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.355737 (E_RNA) where: Base-Base interactions energy: -701.870 where: short stacking energy: -278.479 Base-Backbone interact. energy: -1.691 local terms energy: -274.794840 where: bonds (distance) C4'-P energy: -47.752 bonds (distance) P-C4' energy: -51.713 flat angles C4'-P-C4' energy: -60.142 flat angles P-C4'-P energy: -40.827 tors. eta vs tors. theta energy: -74.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -959.352211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.352211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.352211 (E_RNA) where: Base-Base interactions energy: -652.949 where: short stacking energy: -283.233 Base-Backbone interact. energy: -0.743 local terms energy: -305.660468 where: bonds (distance) C4'-P energy: -55.051 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -68.749 flat angles P-C4'-P energy: -35.754 tors. eta vs tors. theta energy: -84.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -902.247966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.247966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.247966 (E_RNA) where: Base-Base interactions energy: -613.066 where: short stacking energy: -262.943 Base-Backbone interact. energy: -0.103 local terms energy: -289.079850 where: bonds (distance) C4'-P energy: -57.198 bonds (distance) P-C4' energy: -53.529 flat angles C4'-P-C4' energy: -57.399 flat angles P-C4'-P energy: -48.669 tors. eta vs tors. theta energy: -72.285 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: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -801.374689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.374689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.374689 (E_RNA) where: Base-Base interactions energy: -538.851 where: short stacking energy: -225.295 Base-Backbone interact. energy: 2.347 local terms energy: -264.871043 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -51.787 flat angles C4'-P-C4' energy: -57.588 flat angles P-C4'-P energy: -37.423 tors. eta vs tors. theta energy: -54.040 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: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -792.604386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.604386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.604386 (E_RNA) where: Base-Base interactions energy: -530.749 where: short stacking energy: -247.348 Base-Backbone interact. energy: -0.459 local terms energy: -261.395602 where: bonds (distance) C4'-P energy: -51.914 bonds (distance) P-C4' energy: -56.150 flat angles C4'-P-C4' energy: -56.585 flat angles P-C4'-P energy: -27.736 tors. eta vs tors. theta energy: -69.011 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: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -605.397884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.397884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.397884 (E_RNA) where: Base-Base interactions energy: -405.230 where: short stacking energy: -181.016 Base-Backbone interact. energy: -0.725 local terms energy: -199.442262 where: bonds (distance) C4'-P energy: -37.982 bonds (distance) P-C4' energy: -47.520 flat angles C4'-P-C4' energy: -47.458 flat angles P-C4'-P energy: -27.111 tors. eta vs tors. theta energy: -39.371 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: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -604.453372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.453372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.453372 (E_RNA) where: Base-Base interactions energy: -387.610 where: short stacking energy: -179.643 Base-Backbone interact. energy: -0.762 local terms energy: -216.081451 where: bonds (distance) C4'-P energy: -47.370 bonds (distance) P-C4' energy: -52.077 flat angles C4'-P-C4' energy: -55.459 flat angles P-C4'-P energy: -28.142 tors. eta vs tors. theta energy: -33.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -444.261850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.261850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.261850 (E_RNA) where: Base-Base interactions energy: -265.922 where: short stacking energy: -128.610 Base-Backbone interact. energy: 3.288 local terms energy: -181.627988 where: bonds (distance) C4'-P energy: -45.424 bonds (distance) P-C4' energy: -50.473 flat angles C4'-P-C4' energy: -43.625 flat angles P-C4'-P energy: -27.345 tors. eta vs tors. theta energy: -14.761 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: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -399.921814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.921814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.921814 (E_RNA) where: Base-Base interactions energy: -238.458 where: short stacking energy: -141.888 Base-Backbone interact. energy: 1.876 local terms energy: -163.339540 where: bonds (distance) C4'-P energy: -44.487 bonds (distance) P-C4' energy: -41.299 flat angles C4'-P-C4' energy: -32.981 flat angles P-C4'-P energy: -24.878 tors. eta vs tors. theta energy: -19.694 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: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1032.478830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.478830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.478830 (E_RNA) where: Base-Base interactions energy: -724.282 where: short stacking energy: -294.145 Base-Backbone interact. energy: -1.308 local terms energy: -306.888949 where: bonds (distance) C4'-P energy: -58.832 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -71.475 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -78.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -975.330683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.330683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.330683 (E_RNA) where: Base-Base interactions energy: -666.457 where: short stacking energy: -285.169 Base-Backbone interact. energy: -0.583 local terms energy: -308.290759 where: bonds (distance) C4'-P energy: -54.559 bonds (distance) P-C4' energy: -60.091 flat angles C4'-P-C4' energy: -64.286 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -79.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -935.034661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.034661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.034661 (E_RNA) where: Base-Base interactions energy: -642.941 where: short stacking energy: -285.657 Base-Backbone interact. energy: -1.134 local terms energy: -290.960009 where: bonds (distance) C4'-P energy: -49.886 bonds (distance) P-C4' energy: -61.621 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: -74.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -888.672615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.672615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.672615 (E_RNA) where: Base-Base interactions energy: -611.604 where: short stacking energy: -250.196 Base-Backbone interact. energy: -1.798 local terms energy: -275.270195 where: bonds (distance) C4'-P energy: -57.298 bonds (distance) P-C4' energy: -45.641 flat angles C4'-P-C4' energy: -61.953 flat angles P-C4'-P energy: -30.868 tors. eta vs tors. theta energy: -79.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -797.151092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.151092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.151092 (E_RNA) where: Base-Base interactions energy: -538.863 where: short stacking energy: -243.185 Base-Backbone interact. energy: 0.574 local terms energy: -258.861444 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -61.789 flat angles C4'-P-C4' energy: -54.672 flat angles P-C4'-P energy: -33.452 tors. eta vs tors. theta energy: -59.974 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: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -784.542393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.542393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.542393 (E_RNA) where: Base-Base interactions energy: -526.480 where: short stacking energy: -234.771 Base-Backbone interact. energy: -0.482 local terms energy: -257.580640 where: bonds (distance) C4'-P energy: -54.046 bonds (distance) P-C4' energy: -53.084 flat angles C4'-P-C4' energy: -54.201 flat angles P-C4'-P energy: -34.393 tors. eta vs tors. theta energy: -61.856 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: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -640.116773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.116773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.116773 (E_RNA) where: Base-Base interactions energy: -409.512 where: short stacking energy: -194.195 Base-Backbone interact. energy: -0.100 local terms energy: -230.504938 where: bonds (distance) C4'-P energy: -50.039 bonds (distance) P-C4' energy: -50.504 flat angles C4'-P-C4' energy: -54.284 flat angles P-C4'-P energy: -27.867 tors. eta vs tors. theta energy: -47.811 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: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -545.108752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.108752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.108752 (E_RNA) where: Base-Base interactions energy: -344.835 where: short stacking energy: -150.888 Base-Backbone interact. energy: 1.194 local terms energy: -201.468136 where: bonds (distance) C4'-P energy: -45.442 bonds (distance) P-C4' energy: -55.993 flat angles C4'-P-C4' energy: -50.695 flat angles P-C4'-P energy: -20.789 tors. eta vs tors. theta energy: -28.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -431.244853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.244853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.244853 (E_RNA) where: Base-Base interactions energy: -212.511 where: short stacking energy: -92.024 Base-Backbone interact. energy: 1.002 local terms energy: -219.736710 where: bonds (distance) C4'-P energy: -48.401 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -56.493 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: -20.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -372.895632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.895632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.895632 (E_RNA) where: Base-Base interactions energy: -192.839 where: short stacking energy: -110.650 Base-Backbone interact. energy: -1.674 local terms energy: -178.383105 where: bonds (distance) C4'-P energy: -38.752 bonds (distance) P-C4' energy: -61.218 flat angles C4'-P-C4' energy: -47.363 flat angles P-C4'-P energy: -21.564 tors. eta vs tors. theta energy: -9.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1015.287568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.287568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.287568 (E_RNA) where: Base-Base interactions energy: -700.758 where: short stacking energy: -296.749 Base-Backbone interact. energy: -0.808 local terms energy: -313.721293 where: bonds (distance) C4'-P energy: -59.401 bonds (distance) P-C4' energy: -63.195 flat angles C4'-P-C4' energy: -65.385 flat angles P-C4'-P energy: -42.059 tors. eta vs tors. theta energy: -83.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1006.432267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.432267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.432267 (E_RNA) where: Base-Base interactions energy: -696.499 where: short stacking energy: -290.121 Base-Backbone interact. energy: -0.811 local terms energy: -309.122589 where: bonds (distance) C4'-P energy: -50.869 bonds (distance) P-C4' energy: -61.262 flat angles C4'-P-C4' energy: -68.465 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -76.453 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: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -940.940864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.940864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.940864 (E_RNA) where: Base-Base interactions energy: -667.207 where: short stacking energy: -288.522 Base-Backbone interact. energy: -1.423 local terms energy: -272.310691 where: bonds (distance) C4'-P energy: -45.078 bonds (distance) P-C4' energy: -51.222 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -34.583 tors. eta vs tors. theta energy: -78.186 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: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -876.124413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.124413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.124413 (E_RNA) where: Base-Base interactions energy: -589.517 where: short stacking energy: -270.138 Base-Backbone interact. energy: -2.332 local terms energy: -284.275825 where: bonds (distance) C4'-P energy: -49.883 bonds (distance) P-C4' energy: -52.033 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -76.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -855.908080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.908080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.908080 (E_RNA) where: Base-Base interactions energy: -572.809 where: short stacking energy: -265.892 Base-Backbone interact. energy: -0.124 local terms energy: -282.975333 where: bonds (distance) C4'-P energy: -58.980 bonds (distance) P-C4' energy: -54.888 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -71.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -760.261847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.261847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.261847 (E_RNA) where: Base-Base interactions energy: -517.122 where: short stacking energy: -225.201 Base-Backbone interact. energy: -0.853 local terms energy: -242.286484 where: bonds (distance) C4'-P energy: -44.155 bonds (distance) P-C4' energy: -52.604 flat angles C4'-P-C4' energy: -52.937 flat angles P-C4'-P energy: -35.594 tors. eta vs tors. theta energy: -56.996 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: 7, replica: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -629.494160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.494160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.494160 (E_RNA) where: Base-Base interactions energy: -406.741 where: short stacking energy: -208.523 Base-Backbone interact. energy: 1.370 local terms energy: -224.123189 where: bonds (distance) C4'-P energy: -46.044 bonds (distance) P-C4' energy: -54.191 flat angles C4'-P-C4' energy: -48.388 flat angles P-C4'-P energy: -27.687 tors. eta vs tors. theta energy: -47.814 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: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -595.351029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.351029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.351029 (E_RNA) where: Base-Base interactions energy: -358.396 where: short stacking energy: -192.962 Base-Backbone interact. energy: -1.372 local terms energy: -235.583045 where: bonds (distance) C4'-P energy: -53.618 bonds (distance) P-C4' energy: -55.390 flat angles C4'-P-C4' energy: -58.886 flat angles P-C4'-P energy: -25.524 tors. eta vs tors. theta energy: -42.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -391.932187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.932187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.932187 (E_RNA) where: Base-Base interactions energy: -210.730 where: short stacking energy: -114.885 Base-Backbone interact. energy: 1.756 local terms energy: -182.957477 where: bonds (distance) C4'-P energy: -41.041 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -37.255 flat angles P-C4'-P energy: -33.600 tors. eta vs tors. theta energy: -14.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -374.471922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.471922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.471922 (E_RNA) where: Base-Base interactions energy: -189.899 where: short stacking energy: -107.924 Base-Backbone interact. energy: -1.016 local terms energy: -183.556983 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -55.178 flat angles C4'-P-C4' energy: -43.381 flat angles P-C4'-P energy: -25.777 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: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1015.836999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.836999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.836999 (E_RNA) where: Base-Base interactions energy: -701.605 where: short stacking energy: -300.370 Base-Backbone interact. energy: -0.354 local terms energy: -313.877570 where: bonds (distance) C4'-P energy: -68.001 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -70.456 flat angles P-C4'-P energy: -41.058 tors. eta vs tors. theta energy: -75.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1008.603297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.603297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.603297 (E_RNA) where: Base-Base interactions energy: -695.046 where: short stacking energy: -311.537 Base-Backbone interact. energy: -0.862 local terms energy: -312.695524 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -67.023 flat angles P-C4'-P energy: -42.992 tors. eta vs tors. theta energy: -83.877 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: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -913.400352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.400352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.400352 (E_RNA) where: Base-Base interactions energy: -627.662 where: short stacking energy: -287.069 Base-Backbone interact. energy: 0.203 local terms energy: -285.941957 where: bonds (distance) C4'-P energy: -45.977 bonds (distance) P-C4' energy: -60.249 flat angles C4'-P-C4' energy: -61.706 flat angles P-C4'-P energy: -40.567 tors. eta vs tors. theta energy: -77.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -880.914789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.914789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.914789 (E_RNA) where: Base-Base interactions energy: -586.820 where: short stacking energy: -266.821 Base-Backbone interact. energy: -1.575 local terms energy: -292.520451 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -56.325 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -72.384 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: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -822.127468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.127468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.127468 (E_RNA) where: Base-Base interactions energy: -555.402 where: short stacking energy: -236.939 Base-Backbone interact. energy: 0.027 local terms energy: -266.752575 where: bonds (distance) C4'-P energy: -48.000 bonds (distance) P-C4' energy: -52.568 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -45.296 tors. eta vs tors. theta energy: -61.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -791.696955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.696955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.696955 (E_RNA) where: Base-Base interactions energy: -561.071 where: short stacking energy: -230.287 Base-Backbone interact. energy: -0.814 local terms energy: -229.812361 where: bonds (distance) C4'-P energy: -47.040 bonds (distance) P-C4' energy: -37.423 flat angles C4'-P-C4' energy: -57.325 flat angles P-C4'-P energy: -29.670 tors. eta vs tors. theta energy: -58.354 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: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -627.200279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.200279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.200279 (E_RNA) where: Base-Base interactions energy: -381.833 where: short stacking energy: -198.457 Base-Backbone interact. energy: -0.379 local terms energy: -244.988730 where: bonds (distance) C4'-P energy: -58.995 bonds (distance) P-C4' energy: -59.439 flat angles C4'-P-C4' energy: -53.406 flat angles P-C4'-P energy: -27.312 tors. eta vs tors. theta energy: -45.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -605.150740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.150740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.150740 (E_RNA) where: Base-Base interactions energy: -378.952 where: short stacking energy: -178.410 Base-Backbone interact. energy: -2.405 local terms energy: -223.793912 where: bonds (distance) C4'-P energy: -48.834 bonds (distance) P-C4' energy: -61.993 flat angles C4'-P-C4' energy: -52.338 flat angles P-C4'-P energy: -22.288 tors. eta vs tors. theta energy: -38.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -462.047526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.047526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.047526 (E_RNA) where: Base-Base interactions energy: -263.772 where: short stacking energy: -138.700 Base-Backbone interact. energy: -0.153 local terms energy: -198.122479 where: bonds (distance) C4'-P energy: -40.338 bonds (distance) P-C4' energy: -51.653 flat angles C4'-P-C4' energy: -62.321 flat angles P-C4'-P energy: -19.161 tors. eta vs tors. theta energy: -24.650 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: 93 Temperature: 1.350000 Total energy: -331.586656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.586656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.586656 (E_RNA) where: Base-Base interactions energy: -184.687 where: short stacking energy: -108.860 Base-Backbone interact. energy: -1.059 local terms energy: -145.840676 where: bonds (distance) C4'-P energy: -50.305 bonds (distance) P-C4' energy: -37.493 flat angles C4'-P-C4' energy: -35.140 flat angles P-C4'-P energy: -28.217 tors. eta vs tors. theta energy: 5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1016.638698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.638698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.638698 (E_RNA) where: Base-Base interactions energy: -690.894 where: short stacking energy: -302.756 Base-Backbone interact. energy: 3.752 local terms energy: -329.497404 where: bonds (distance) C4'-P energy: -61.082 bonds (distance) P-C4' energy: -65.528 flat angles C4'-P-C4' energy: -68.861 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -87.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -989.444515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.444515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.444515 (E_RNA) where: Base-Base interactions energy: -675.327 where: short stacking energy: -301.434 Base-Backbone interact. energy: 0.413 local terms energy: -314.530872 where: bonds (distance) C4'-P energy: -64.657 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -62.280 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -84.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -928.811557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.811557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.811557 (E_RNA) where: Base-Base interactions energy: -627.779 where: short stacking energy: -286.755 Base-Backbone interact. energy: -0.290 local terms energy: -300.742851 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -65.695 flat angles C4'-P-C4' energy: -65.600 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -78.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -907.628195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.628195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.628195 (E_RNA) where: Base-Base interactions energy: -622.408 where: short stacking energy: -273.142 Base-Backbone interact. energy: -1.423 local terms energy: -283.797425 where: bonds (distance) C4'-P energy: -56.450 bonds (distance) P-C4' energy: -52.232 flat angles C4'-P-C4' energy: -58.923 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -74.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -855.331395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.331395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.331395 (E_RNA) where: Base-Base interactions energy: -588.400 where: short stacking energy: -254.543 Base-Backbone interact. energy: -0.766 local terms energy: -266.166064 where: bonds (distance) C4'-P energy: -54.258 bonds (distance) P-C4' energy: -46.370 flat angles C4'-P-C4' energy: -57.395 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -65.066 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: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -823.620039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.620039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.620039 (E_RNA) where: Base-Base interactions energy: -547.484 where: short stacking energy: -240.692 Base-Backbone interact. energy: -0.882 local terms energy: -275.254229 where: bonds (distance) C4'-P energy: -50.329 bonds (distance) P-C4' energy: -49.500 flat angles C4'-P-C4' energy: -68.754 flat angles P-C4'-P energy: -44.706 tors. eta vs tors. theta energy: -61.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -635.675871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.675871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.675871 (E_RNA) where: Base-Base interactions energy: -411.596 where: short stacking energy: -204.708 Base-Backbone interact. energy: 2.221 local terms energy: -226.300227 where: bonds (distance) C4'-P energy: -46.006 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -52.941 flat angles P-C4'-P energy: -34.166 tors. eta vs tors. theta energy: -39.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -593.443570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.443570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.443570 (E_RNA) where: Base-Base interactions energy: -365.628 where: short stacking energy: -176.894 Base-Backbone interact. energy: -0.696 local terms energy: -227.119363 where: bonds (distance) C4'-P energy: -49.390 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -45.764 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -38.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -386.397083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.397083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.397083 (E_RNA) where: Base-Base interactions energy: -200.067 where: short stacking energy: -110.978 Base-Backbone interact. energy: -0.566 local terms energy: -185.763721 where: bonds (distance) C4'-P energy: -53.527 bonds (distance) P-C4' energy: -56.758 flat angles C4'-P-C4' energy: -43.407 flat angles P-C4'-P energy: -25.696 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -323.454871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.454871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.454871 (E_RNA) where: Base-Base interactions energy: -151.012 where: short stacking energy: -76.516 Base-Backbone interact. energy: -0.844 local terms energy: -171.598914 where: bonds (distance) C4'-P energy: -54.641 bonds (distance) P-C4' energy: -51.558 flat angles C4'-P-C4' energy: -48.391 flat angles P-C4'-P energy: -25.699 tors. eta vs tors. theta energy: 8.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1021.343234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.343234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.343234 (E_RNA) where: Base-Base interactions energy: -717.262 where: short stacking energy: -317.293 Base-Backbone interact. energy: -0.143 local terms energy: -303.938368 where: bonds (distance) C4'-P energy: -48.939 bonds (distance) P-C4' energy: -61.234 flat angles C4'-P-C4' energy: -66.972 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -85.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1030.146361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.146361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.146361 (E_RNA) where: Base-Base interactions energy: -721.086 where: short stacking energy: -311.907 Base-Backbone interact. energy: -1.159 local terms energy: -307.900830 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -57.086 flat angles C4'-P-C4' energy: -64.643 flat angles P-C4'-P energy: -37.819 tors. eta vs tors. theta energy: -83.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -950.178767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.178767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.178767 (E_RNA) where: Base-Base interactions energy: -652.974 where: short stacking energy: -283.692 Base-Backbone interact. energy: -1.806 local terms energy: -295.398809 where: bonds (distance) C4'-P energy: -59.257 bonds (distance) P-C4' energy: -59.534 flat angles C4'-P-C4' energy: -65.162 flat angles P-C4'-P energy: -37.453 tors. eta vs tors. theta energy: -73.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -905.032356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.032356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.032356 (E_RNA) where: Base-Base interactions energy: -618.553 where: short stacking energy: -272.954 Base-Backbone interact. energy: -1.204 local terms energy: -285.275305 where: bonds (distance) C4'-P energy: -56.460 bonds (distance) P-C4' energy: -52.769 flat angles C4'-P-C4' energy: -60.106 flat angles P-C4'-P energy: -35.773 tors. eta vs tors. theta energy: -80.167 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: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -822.368923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.368923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.368923 (E_RNA) where: Base-Base interactions energy: -554.144 where: short stacking energy: -251.897 Base-Backbone interact. energy: -1.559 local terms energy: -266.665694 where: bonds (distance) C4'-P energy: -51.994 bonds (distance) P-C4' energy: -48.793 flat angles C4'-P-C4' energy: -60.673 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -66.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -841.763453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.763453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.763453 (E_RNA) where: Base-Base interactions energy: -550.321 where: short stacking energy: -257.012 Base-Backbone interact. energy: -1.352 local terms energy: -290.090695 where: bonds (distance) C4'-P energy: -61.082 bonds (distance) P-C4' energy: -49.763 flat angles C4'-P-C4' energy: -65.140 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: -73.999 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: 7, replica: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -610.380324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.380324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.380324 (E_RNA) where: Base-Base interactions energy: -390.340 where: short stacking energy: -169.827 Base-Backbone interact. energy: 0.632 local terms energy: -220.672902 where: bonds (distance) C4'-P energy: -42.155 bonds (distance) P-C4' energy: -55.883 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -28.484 tors. eta vs tors. theta energy: -37.399 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: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -612.288401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.288401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.288401 (E_RNA) where: Base-Base interactions energy: -379.526 where: short stacking energy: -185.114 Base-Backbone interact. energy: 0.008 local terms energy: -232.771043 where: bonds (distance) C4'-P energy: -45.396 bonds (distance) P-C4' energy: -57.897 flat angles C4'-P-C4' energy: -53.922 flat angles P-C4'-P energy: -24.152 tors. eta vs tors. theta energy: -51.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -380.287889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.287889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.287889 (E_RNA) where: Base-Base interactions energy: -207.440 where: short stacking energy: -107.264 Base-Backbone interact. energy: -1.123 local terms energy: -171.725279 where: bonds (distance) C4'-P energy: -47.167 bonds (distance) P-C4' energy: -47.096 flat angles C4'-P-C4' energy: -39.484 flat angles P-C4'-P energy: -38.020 tors. eta vs tors. theta energy: 0.041 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: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -348.806329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.806329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.806329 (E_RNA) where: Base-Base interactions energy: -167.361 where: short stacking energy: -89.754 Base-Backbone interact. energy: -2.511 local terms energy: -178.933978 where: bonds (distance) C4'-P energy: -47.463 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -36.641 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -3.092 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: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1020.902201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.902201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.902201 (E_RNA) where: Base-Base interactions energy: -703.886 where: short stacking energy: -311.843 Base-Backbone interact. energy: -0.228 local terms energy: -316.787854 where: bonds (distance) C4'-P energy: -56.393 bonds (distance) P-C4' energy: -60.069 flat angles C4'-P-C4' energy: -68.174 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -89.721 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: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1016.943205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.943205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.943205 (E_RNA) where: Base-Base interactions energy: -712.314 where: short stacking energy: -313.235 Base-Backbone interact. energy: 0.031 local terms energy: -304.660013 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -57.904 flat angles C4'-P-C4' energy: -67.933 flat angles P-C4'-P energy: -41.148 tors. eta vs tors. theta energy: -82.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -953.383554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.383554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.383554 (E_RNA) where: Base-Base interactions energy: -630.352 where: short stacking energy: -281.739 Base-Backbone interact. energy: -1.685 local terms energy: -321.347139 where: bonds (distance) C4'-P energy: -58.969 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -65.378 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -81.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -908.790981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.790981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.790981 (E_RNA) where: Base-Base interactions energy: -635.943 where: short stacking energy: -279.261 Base-Backbone interact. energy: -0.331 local terms energy: -272.516940 where: bonds (distance) C4'-P energy: -34.967 bonds (distance) P-C4' energy: -58.288 flat angles C4'-P-C4' energy: -67.040 flat angles P-C4'-P energy: -38.555 tors. eta vs tors. theta energy: -73.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -837.777930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.777930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.777930 (E_RNA) where: Base-Base interactions energy: -563.122 where: short stacking energy: -265.255 Base-Backbone interact. energy: 0.295 local terms energy: -274.950755 where: bonds (distance) C4'-P energy: -40.894 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -57.383 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -71.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -787.264528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.264528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.264528 (E_RNA) where: Base-Base interactions energy: -517.534 where: short stacking energy: -230.210 Base-Backbone interact. energy: -0.975 local terms energy: -268.755663 where: bonds (distance) C4'-P energy: -56.291 bonds (distance) P-C4' energy: -53.886 flat angles C4'-P-C4' energy: -54.939 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: -59.527 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: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -610.500065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.500065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.500065 (E_RNA) where: Base-Base interactions energy: -380.350 where: short stacking energy: -194.183 Base-Backbone interact. energy: 4.804 local terms energy: -234.953431 where: bonds (distance) C4'-P energy: -52.521 bonds (distance) P-C4' energy: -48.194 flat angles C4'-P-C4' energy: -45.976 flat angles P-C4'-P energy: -39.115 tors. eta vs tors. theta energy: -49.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -635.641464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.641464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.641464 (E_RNA) where: Base-Base interactions energy: -411.405 where: short stacking energy: -206.882 Base-Backbone interact. energy: -1.303 local terms energy: -222.933854 where: bonds (distance) C4'-P energy: -47.239 bonds (distance) P-C4' energy: -52.402 flat angles C4'-P-C4' energy: -47.853 flat angles P-C4'-P energy: -33.771 tors. eta vs tors. theta energy: -41.668 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: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -413.835635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.835635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.835635 (E_RNA) where: Base-Base interactions energy: -248.548 where: short stacking energy: -129.640 Base-Backbone interact. energy: -0.657 local terms energy: -164.630766 where: bonds (distance) C4'-P energy: -37.648 bonds (distance) P-C4' energy: -41.198 flat angles C4'-P-C4' energy: -30.894 flat angles P-C4'-P energy: -32.556 tors. eta vs tors. theta energy: -22.336 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: 96 Temperature: 1.350000 Total energy: -278.417526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.417526 (E_RNA) where: Base-Base interactions energy: -115.456 where: short stacking energy: -85.730 Base-Backbone interact. energy: -0.224 local terms energy: -162.737901 where: bonds (distance) C4'-P energy: -41.335 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -41.717 flat angles P-C4'-P energy: -25.027 tors. eta vs tors. theta energy: -1.929 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1026.545992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.545992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.545992 (E_RNA) where: Base-Base interactions energy: -715.025 where: short stacking energy: -296.115 Base-Backbone interact. energy: -1.663 local terms energy: -309.858054 where: bonds (distance) C4'-P energy: -51.258 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -66.117 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -82.410 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: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -970.647752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.647752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.647752 (E_RNA) where: Base-Base interactions energy: -673.084 where: short stacking energy: -294.587 Base-Backbone interact. energy: -0.854 local terms energy: -296.708979 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -56.366 flat angles C4'-P-C4' energy: -68.634 flat angles P-C4'-P energy: -33.362 tors. eta vs tors. theta energy: -81.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1012.175082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.175082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.175082 (E_RNA) where: Base-Base interactions energy: -700.733 where: short stacking energy: -303.383 Base-Backbone interact. energy: -1.274 local terms energy: -310.168088 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -53.437 flat angles C4'-P-C4' energy: -68.430 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -81.880 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: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -865.628354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.628354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.628354 (E_RNA) where: Base-Base interactions energy: -591.111 where: short stacking energy: -275.100 Base-Backbone interact. energy: -1.289 local terms energy: -273.228049 where: bonds (distance) C4'-P energy: -56.494 bonds (distance) P-C4' energy: -55.499 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -41.399 tors. eta vs tors. theta energy: -68.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -843.021229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.021229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.021229 (E_RNA) where: Base-Base interactions energy: -570.453 where: short stacking energy: -261.112 Base-Backbone interact. energy: -0.439 local terms energy: -272.129626 where: bonds (distance) C4'-P energy: -51.400 bonds (distance) P-C4' energy: -57.079 flat angles C4'-P-C4' energy: -53.979 flat angles P-C4'-P energy: -35.675 tors. eta vs tors. theta energy: -73.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -764.831630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.831630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.831630 (E_RNA) where: Base-Base interactions energy: -515.592 where: short stacking energy: -244.666 Base-Backbone interact. energy: -0.856 local terms energy: -248.383478 where: bonds (distance) C4'-P energy: -55.950 bonds (distance) P-C4' energy: -55.312 flat angles C4'-P-C4' energy: -57.095 flat angles P-C4'-P energy: -26.348 tors. eta vs tors. theta energy: -53.678 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: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -648.380446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.380446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.380446 (E_RNA) where: Base-Base interactions energy: -418.304 where: short stacking energy: -189.806 Base-Backbone interact. energy: 2.455 local terms energy: -232.531591 where: bonds (distance) C4'-P energy: -50.380 bonds (distance) P-C4' energy: -45.295 flat angles C4'-P-C4' energy: -51.984 flat angles P-C4'-P energy: -35.642 tors. eta vs tors. theta energy: -49.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -617.424128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.424128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.424128 (E_RNA) where: Base-Base interactions energy: -374.355 where: short stacking energy: -185.873 Base-Backbone interact. energy: -0.536 local terms energy: -242.533558 where: bonds (distance) C4'-P energy: -50.097 bonds (distance) P-C4' energy: -57.869 flat angles C4'-P-C4' energy: -48.509 flat angles P-C4'-P energy: -35.326 tors. eta vs tors. theta energy: -50.732 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: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -385.019610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.019610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.019610 (E_RNA) where: Base-Base interactions energy: -211.740 where: short stacking energy: -119.024 Base-Backbone interact. energy: 1.696 local terms energy: -174.976319 where: bonds (distance) C4'-P energy: -34.510 bonds (distance) P-C4' energy: -50.429 flat angles C4'-P-C4' energy: -43.917 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -8.863 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: 97 Temperature: 1.350000 Total energy: -275.468765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.468765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.468765 (E_RNA) where: Base-Base interactions energy: -115.682 where: short stacking energy: -87.997 Base-Backbone interact. energy: 0.288 local terms energy: -160.075089 where: bonds (distance) C4'-P energy: -54.022 bonds (distance) P-C4' energy: -57.240 flat angles C4'-P-C4' energy: -24.793 flat angles P-C4'-P energy: -24.833 tors. eta vs tors. theta energy: 0.812 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: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1018.751236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.751236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.751236 (E_RNA) where: Base-Base interactions energy: -708.635 where: short stacking energy: -285.040 Base-Backbone interact. energy: 0.007 local terms energy: -310.123620 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -57.132 flat angles C4'-P-C4' energy: -70.548 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: -79.682 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: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -967.373926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.373926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.373926 (E_RNA) where: Base-Base interactions energy: -661.239 where: short stacking energy: -297.624 Base-Backbone interact. energy: -0.977 local terms energy: -305.158534 where: bonds (distance) C4'-P energy: -56.975 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -63.090 flat angles P-C4'-P energy: -40.571 tors. eta vs tors. theta energy: -81.797 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: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -997.745636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.745636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.745636 (E_RNA) where: Base-Base interactions energy: -701.147 where: short stacking energy: -295.541 Base-Backbone interact. energy: -1.121 local terms energy: -295.478036 where: bonds (distance) C4'-P energy: -53.853 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -65.483 flat angles P-C4'-P energy: -30.830 tors. eta vs tors. theta energy: -82.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -864.409155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.409155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.409155 (E_RNA) where: Base-Base interactions energy: -580.871 where: short stacking energy: -260.601 Base-Backbone interact. energy: -1.961 local terms energy: -281.576608 where: bonds (distance) C4'-P energy: -53.909 bonds (distance) P-C4' energy: -52.941 flat angles C4'-P-C4' energy: -60.443 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -70.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -815.947823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.947823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.947823 (E_RNA) where: Base-Base interactions energy: -568.788 where: short stacking energy: -245.654 Base-Backbone interact. energy: -1.578 local terms energy: -245.581337 where: bonds (distance) C4'-P energy: -47.593 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -58.409 flat angles P-C4'-P energy: -23.663 tors. eta vs tors. theta energy: -60.256 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: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -791.211215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.211215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.211215 (E_RNA) where: Base-Base interactions energy: -524.822 where: short stacking energy: -229.957 Base-Backbone interact. energy: -0.974 local terms energy: -265.414962 where: bonds (distance) C4'-P energy: -53.047 bonds (distance) P-C4' energy: -56.735 flat angles C4'-P-C4' energy: -54.618 flat angles P-C4'-P energy: -39.901 tors. eta vs tors. theta energy: -61.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -643.890286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.890286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.890286 (E_RNA) where: Base-Base interactions energy: -413.195 where: short stacking energy: -200.464 Base-Backbone interact. energy: 0.003 local terms energy: -230.697955 where: bonds (distance) C4'-P energy: -42.538 bonds (distance) P-C4' energy: -55.248 flat angles C4'-P-C4' energy: -61.569 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -36.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -623.264082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.264082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.264082 (E_RNA) where: Base-Base interactions energy: -397.975 where: short stacking energy: -201.091 Base-Backbone interact. energy: -1.125 local terms energy: -224.164291 where: bonds (distance) C4'-P energy: -43.988 bonds (distance) P-C4' energy: -50.729 flat angles C4'-P-C4' energy: -55.248 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: -39.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -423.652985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.652985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.652985 (E_RNA) where: Base-Base interactions energy: -222.502 where: short stacking energy: -140.839 Base-Backbone interact. energy: -0.599 local terms energy: -200.551310 where: bonds (distance) C4'-P energy: -51.416 bonds (distance) P-C4' energy: -48.680 flat angles C4'-P-C4' energy: -48.359 flat angles P-C4'-P energy: -32.535 tors. eta vs tors. theta energy: -19.561 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: 98 Temperature: 1.350000 Total energy: -316.103724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.103724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.103724 (E_RNA) where: Base-Base interactions energy: -160.838 where: short stacking energy: -106.197 Base-Backbone interact. energy: 2.002 local terms energy: -157.267520 where: bonds (distance) C4'-P energy: -51.954 bonds (distance) P-C4' energy: -46.857 flat angles C4'-P-C4' energy: -33.831 flat angles P-C4'-P energy: -14.321 tors. eta vs tors. theta energy: -10.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1030.828106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.828106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.828106 (E_RNA) where: Base-Base interactions energy: -705.190 where: short stacking energy: -307.101 Base-Backbone interact. energy: -0.960 local terms energy: -324.677409 where: bonds (distance) C4'-P energy: -64.627 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -61.784 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -88.445 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: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -952.683134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.683134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.683134 (E_RNA) where: Base-Base interactions energy: -630.292 where: short stacking energy: -281.156 Base-Backbone interact. energy: -0.497 local terms energy: -321.894586 where: bonds (distance) C4'-P energy: -71.573 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -63.609 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -77.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -987.223343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.223343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.223343 (E_RNA) where: Base-Base interactions energy: -688.844 where: short stacking energy: -304.476 Base-Backbone interact. energy: -1.327 local terms energy: -297.051520 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -53.915 flat angles C4'-P-C4' energy: -59.696 flat angles P-C4'-P energy: -47.549 tors. eta vs tors. theta energy: -77.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -893.709028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.709028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.709028 (E_RNA) where: Base-Base interactions energy: -617.811 where: short stacking energy: -275.186 Base-Backbone interact. energy: 0.140 local terms energy: -276.037191 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -55.996 flat angles C4'-P-C4' energy: -63.851 flat angles P-C4'-P energy: -38.946 tors. eta vs tors. theta energy: -65.460 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: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -864.397430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.397430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.397430 (E_RNA) where: Base-Base interactions energy: -572.675 where: short stacking energy: -255.815 Base-Backbone interact. energy: -1.179 local terms energy: -290.543640 where: bonds (distance) C4'-P energy: -55.679 bonds (distance) P-C4' energy: -54.252 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: -72.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -793.348008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.348008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.348008 (E_RNA) where: Base-Base interactions energy: -534.071 where: short stacking energy: -228.888 Base-Backbone interact. energy: -1.723 local terms energy: -257.553481 where: bonds (distance) C4'-P energy: -49.579 bonds (distance) P-C4' energy: -50.198 flat angles C4'-P-C4' energy: -54.310 flat angles P-C4'-P energy: -48.212 tors. eta vs tors. theta energy: -55.254 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: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -644.083835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.083835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.083835 (E_RNA) where: Base-Base interactions energy: -416.400 where: short stacking energy: -195.375 Base-Backbone interact. energy: -1.606 local terms energy: -226.077901 where: bonds (distance) C4'-P energy: -46.401 bonds (distance) P-C4' energy: -39.300 flat angles C4'-P-C4' energy: -59.062 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -43.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -608.897673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.897673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.897673 (E_RNA) where: Base-Base interactions energy: -391.250 where: short stacking energy: -177.259 Base-Backbone interact. energy: 0.604 local terms energy: -218.251109 where: bonds (distance) C4'-P energy: -55.010 bonds (distance) P-C4' energy: -50.871 flat angles C4'-P-C4' energy: -50.468 flat angles P-C4'-P energy: -30.241 tors. eta vs tors. theta energy: -31.661 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: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -425.727302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.727302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.727302 (E_RNA) where: Base-Base interactions energy: -235.710 where: short stacking energy: -108.390 Base-Backbone interact. energy: -0.338 local terms energy: -189.679607 where: bonds (distance) C4'-P energy: -55.590 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -43.135 flat angles P-C4'-P energy: -15.210 tors. eta vs tors. theta energy: -15.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -287.050340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.050340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.050340 (E_RNA) where: Base-Base interactions energy: -116.788 where: short stacking energy: -87.838 Base-Backbone interact. energy: 2.014 local terms energy: -172.276092 where: bonds (distance) C4'-P energy: -47.098 bonds (distance) P-C4' energy: -60.689 flat angles C4'-P-C4' energy: -31.863 flat angles P-C4'-P energy: -30.893 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1042.974207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.974207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.974207 (E_RNA) where: Base-Base interactions energy: -721.655 where: short stacking energy: -297.759 Base-Backbone interact. energy: -0.277 local terms energy: -321.042877 where: bonds (distance) C4'-P energy: -55.544 bonds (distance) P-C4' energy: -62.055 flat angles C4'-P-C4' energy: -71.208 flat angles P-C4'-P energy: -41.673 tors. eta vs tors. theta energy: -90.562 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: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -972.242794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.242794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.242794 (E_RNA) where: Base-Base interactions energy: -682.249 where: short stacking energy: -297.136 Base-Backbone interact. energy: -1.630 local terms energy: -288.363969 where: bonds (distance) C4'-P energy: -54.747 bonds (distance) P-C4' energy: -48.623 flat angles C4'-P-C4' energy: -57.091 flat angles P-C4'-P energy: -39.934 tors. eta vs tors. theta energy: -87.969 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: 100 Temperature: 1.000000 Total energy: -1011.107580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.107580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.107580 (E_RNA) where: Base-Base interactions energy: -713.537 where: short stacking energy: -306.198 Base-Backbone interact. energy: 0.470 local terms energy: -298.041092 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -60.687 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: -83.134 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: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -888.749737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.749737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.749737 (E_RNA) where: Base-Base interactions energy: -614.521 where: short stacking energy: -264.538 Base-Backbone interact. energy: -1.238 local terms energy: -272.990325 where: bonds (distance) C4'-P energy: -50.504 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -63.478 flat angles P-C4'-P energy: -34.069 tors. eta vs tors. theta energy: -65.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -844.292385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.292385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.292385 (E_RNA) where: Base-Base interactions energy: -571.208 where: short stacking energy: -260.876 Base-Backbone interact. energy: -1.779 local terms energy: -271.305199 where: bonds (distance) C4'-P energy: -44.798 bonds (distance) P-C4' energy: -45.076 flat angles C4'-P-C4' energy: -62.520 flat angles P-C4'-P energy: -40.861 tors. eta vs tors. theta energy: -78.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -769.393442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.393442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.393442 (E_RNA) where: Base-Base interactions energy: -513.744 where: short stacking energy: -246.020 Base-Backbone interact. energy: 0.177 local terms energy: -255.826961 where: bonds (distance) C4'-P energy: -51.262 bonds (distance) P-C4' energy: -55.327 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -30.388 tors. eta vs tors. theta energy: -58.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -622.288293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.288293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.288293 (E_RNA) where: Base-Base interactions energy: -400.631 where: short stacking energy: -180.031 Base-Backbone interact. energy: 0.002 local terms energy: -221.659239 where: bonds (distance) C4'-P energy: -54.383 bonds (distance) P-C4' energy: -41.301 flat angles C4'-P-C4' energy: -52.592 flat angles P-C4'-P energy: -36.752 tors. eta vs tors. theta energy: -36.631 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: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -618.925589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.925589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.925589 (E_RNA) where: Base-Base interactions energy: -404.679 where: short stacking energy: -196.263 Base-Backbone interact. energy: 0.926 local terms energy: -215.172669 where: bonds (distance) C4'-P energy: -46.261 bonds (distance) P-C4' energy: -57.808 flat angles C4'-P-C4' energy: -45.645 flat angles P-C4'-P energy: -24.652 tors. eta vs tors. theta energy: -40.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -287.369551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.369551 (E_RNA) where: Base-Base interactions energy: -98.637 where: short stacking energy: -97.909 Base-Backbone interact. energy: 0.719 local terms energy: -189.451287 where: bonds (distance) C4'-P energy: -47.160 bonds (distance) P-C4' energy: -56.389 flat angles C4'-P-C4' energy: -49.369 flat angles P-C4'-P energy: -28.951 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -412.234477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.234477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.234477 (E_RNA) where: Base-Base interactions energy: -216.699 where: short stacking energy: -119.042 Base-Backbone interact. energy: -1.517 local terms energy: -194.018610 where: bonds (distance) C4'-P energy: -46.292 bonds (distance) P-C4' energy: -52.838 flat angles C4'-P-C4' energy: -40.585 flat angles P-C4'-P energy: -36.791 tors. eta vs tors. theta energy: -17.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1033.757323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.757323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.757323 (E_RNA) where: Base-Base interactions energy: -721.844 where: short stacking energy: -309.990 Base-Backbone interact. energy: -0.846 local terms energy: -311.067800 where: bonds (distance) C4'-P energy: -53.886 bonds (distance) P-C4' energy: -62.882 flat angles C4'-P-C4' energy: -69.702 flat angles P-C4'-P energy: -44.078 tors. eta vs tors. theta energy: -80.521 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: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1017.121670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.121670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.121670 (E_RNA) where: Base-Base interactions energy: -710.934 where: short stacking energy: -297.490 Base-Backbone interact. energy: 1.418 local terms energy: -307.605879 where: bonds (distance) C4'-P energy: -53.535 bonds (distance) P-C4' energy: -53.966 flat angles C4'-P-C4' energy: -65.836 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -84.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -956.088759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.088759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.088759 (E_RNA) where: Base-Base interactions energy: -661.478 where: short stacking energy: -293.172 Base-Backbone interact. energy: 2.183 local terms energy: -296.794483 where: bonds (distance) C4'-P energy: -56.809 bonds (distance) P-C4' energy: -51.028 flat angles C4'-P-C4' energy: -63.645 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -81.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -880.166646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.166646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.166646 (E_RNA) where: Base-Base interactions energy: -593.464 where: short stacking energy: -273.750 Base-Backbone interact. energy: -1.359 local terms energy: -285.343645 where: bonds (distance) C4'-P energy: -48.297 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -48.732 tors. eta vs tors. theta energy: -73.137 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: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -828.302197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.302197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.302197 (E_RNA) where: Base-Base interactions energy: -551.468 where: short stacking energy: -243.234 Base-Backbone interact. energy: 1.346 local terms energy: -278.179502 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -49.109 flat angles C4'-P-C4' energy: -63.406 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -77.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -767.310381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.310381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.310381 (E_RNA) where: Base-Base interactions energy: -519.012 where: short stacking energy: -214.106 Base-Backbone interact. energy: -1.071 local terms energy: -247.227188 where: bonds (distance) C4'-P energy: -55.860 bonds (distance) P-C4' energy: -58.513 flat angles C4'-P-C4' energy: -49.442 flat angles P-C4'-P energy: -31.003 tors. eta vs tors. theta energy: -52.410 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: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -633.558814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.558814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.558814 (E_RNA) where: Base-Base interactions energy: -409.947 where: short stacking energy: -186.383 Base-Backbone interact. energy: -0.232 local terms energy: -223.379897 where: bonds (distance) C4'-P energy: -44.962 bonds (distance) P-C4' energy: -50.782 flat angles C4'-P-C4' energy: -48.165 flat angles P-C4'-P energy: -38.728 tors. eta vs tors. theta energy: -40.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -607.672418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.672418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.672418 (E_RNA) where: Base-Base interactions energy: -397.502 where: short stacking energy: -169.281 Base-Backbone interact. energy: 2.762 local terms energy: -212.932050 where: bonds (distance) C4'-P energy: -51.898 bonds (distance) P-C4' energy: -59.625 flat angles C4'-P-C4' energy: -47.153 flat angles P-C4'-P energy: -27.273 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: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -282.657844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.657844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.657844 (E_RNA) where: Base-Base interactions energy: -109.514 where: short stacking energy: -80.890 Base-Backbone interact. energy: -0.132 local terms energy: -173.011990 where: bonds (distance) C4'-P energy: -53.522 bonds (distance) P-C4' energy: -43.042 flat angles C4'-P-C4' energy: -44.045 flat angles P-C4'-P energy: -30.543 tors. eta vs tors. theta energy: -1.859 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: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -370.873850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.873850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.873850 (E_RNA) where: Base-Base interactions energy: -193.104 where: short stacking energy: -108.387 Base-Backbone interact. energy: 0.558 local terms energy: -178.327325 where: bonds (distance) C4'-P energy: -43.613 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -46.644 flat angles P-C4'-P energy: -22.689 tors. eta vs tors. theta energy: -7.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1014.400686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.400686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.400686 (E_RNA) where: Base-Base interactions energy: -707.718 where: short stacking energy: -285.669 Base-Backbone interact. energy: -0.907 local terms energy: -305.775641 where: bonds (distance) C4'-P energy: -59.022 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -72.196 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -76.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1040.212701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.212701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.212701 (E_RNA) where: Base-Base interactions energy: -729.525 where: short stacking energy: -307.937 Base-Backbone interact. energy: 1.284 local terms energy: -311.971210 where: bonds (distance) C4'-P energy: -57.505 bonds (distance) P-C4' energy: -51.982 flat angles C4'-P-C4' energy: -63.429 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -89.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -924.188823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.188823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.188823 (E_RNA) where: Base-Base interactions energy: -639.585 where: short stacking energy: -276.639 Base-Backbone interact. energy: -0.086 local terms energy: -284.517521 where: bonds (distance) C4'-P energy: -55.065 bonds (distance) P-C4' energy: -50.228 flat angles C4'-P-C4' energy: -60.030 flat angles P-C4'-P energy: -39.129 tors. eta vs tors. theta energy: -80.064 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: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -881.537651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.537651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.537651 (E_RNA) where: Base-Base interactions energy: -580.647 where: short stacking energy: -273.608 Base-Backbone interact. energy: -0.105 local terms energy: -300.785572 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -53.737 flat angles C4'-P-C4' energy: -59.908 flat angles P-C4'-P energy: -45.203 tors. eta vs tors. theta energy: -81.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -823.687847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.687847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.687847 (E_RNA) where: Base-Base interactions energy: -559.821 where: short stacking energy: -228.942 Base-Backbone interact. energy: 0.296 local terms energy: -264.162214 where: bonds (distance) C4'-P energy: -48.737 bonds (distance) P-C4' energy: -53.414 flat angles C4'-P-C4' energy: -57.139 flat angles P-C4'-P energy: -35.595 tors. eta vs tors. theta energy: -69.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -782.075603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.075603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.075603 (E_RNA) where: Base-Base interactions energy: -532.842 where: short stacking energy: -220.684 Base-Backbone interact. energy: 4.374 local terms energy: -253.607867 where: bonds (distance) C4'-P energy: -61.673 bonds (distance) P-C4' energy: -58.823 flat angles C4'-P-C4' energy: -51.133 flat angles P-C4'-P energy: -32.814 tors. eta vs tors. theta energy: -49.164 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: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -642.793969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.793969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.793969 (E_RNA) where: Base-Base interactions energy: -383.935 where: short stacking energy: -181.947 Base-Backbone interact. energy: -1.405 local terms energy: -257.453420 where: bonds (distance) C4'-P energy: -58.056 bonds (distance) P-C4' energy: -60.060 flat angles C4'-P-C4' energy: -62.399 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -36.716 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: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -591.683681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.683681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.683681 (E_RNA) where: Base-Base interactions energy: -369.874 where: short stacking energy: -172.495 Base-Backbone interact. energy: -0.962 local terms energy: -220.847444 where: bonds (distance) C4'-P energy: -48.672 bonds (distance) P-C4' energy: -59.022 flat angles C4'-P-C4' energy: -49.812 flat angles P-C4'-P energy: -29.556 tors. eta vs tors. theta energy: -33.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -403.214955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.214955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.214955 (E_RNA) where: Base-Base interactions energy: -233.082 where: short stacking energy: -121.333 Base-Backbone interact. energy: -0.584 local terms energy: -169.548447 where: bonds (distance) C4'-P energy: -41.607 bonds (distance) P-C4' energy: -51.556 flat angles C4'-P-C4' energy: -42.031 flat angles P-C4'-P energy: -31.195 tors. eta vs tors. theta energy: -3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -269.560395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.560395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.560395 (E_RNA) where: Base-Base interactions energy: -111.215 where: short stacking energy: -97.305 Base-Backbone interact. energy: 1.273 local terms energy: -159.618457 where: bonds (distance) C4'-P energy: -43.754 bonds (distance) P-C4' energy: -37.674 flat angles C4'-P-C4' energy: -52.213 flat angles P-C4'-P energy: -24.494 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1033.393336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.393336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.393336 (E_RNA) where: Base-Base interactions energy: -707.198 where: short stacking energy: -299.170 Base-Backbone interact. energy: -0.880 local terms energy: -325.315590 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -66.249 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -40.932 tors. eta vs tors. theta energy: -85.894 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: 103 Temperature: 0.950000 Total energy: -1030.721671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.721671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.721671 (E_RNA) where: Base-Base interactions energy: -719.021 where: short stacking energy: -301.639 Base-Backbone interact. energy: -2.177 local terms energy: -309.523498 where: bonds (distance) C4'-P energy: -47.437 bonds (distance) P-C4' energy: -58.542 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -87.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -948.202040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.202040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.202040 (E_RNA) where: Base-Base interactions energy: -642.514 where: short stacking energy: -286.912 Base-Backbone interact. energy: -1.174 local terms energy: -304.514781 where: bonds (distance) C4'-P energy: -54.223 bonds (distance) P-C4' energy: -63.163 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -39.766 tors. eta vs tors. theta energy: -80.035 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: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -876.023238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.023238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.023238 (E_RNA) where: Base-Base interactions energy: -593.628 where: short stacking energy: -272.109 Base-Backbone interact. energy: -1.562 local terms energy: -280.833689 where: bonds (distance) C4'-P energy: -42.311 bonds (distance) P-C4' energy: -61.622 flat angles C4'-P-C4' energy: -56.528 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -80.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -840.877421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.877421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.877421 (E_RNA) where: Base-Base interactions energy: -566.915 where: short stacking energy: -253.594 Base-Backbone interact. energy: -2.600 local terms energy: -271.363296 where: bonds (distance) C4'-P energy: -52.009 bonds (distance) P-C4' energy: -49.458 flat angles C4'-P-C4' energy: -68.355 flat angles P-C4'-P energy: -33.963 tors. eta vs tors. theta energy: -67.579 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: 103 Temperature: 1.150000 Total energy: -818.841751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.841751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.841751 (E_RNA) where: Base-Base interactions energy: -559.076 where: short stacking energy: -230.268 Base-Backbone interact. energy: -0.438 local terms energy: -259.327734 where: bonds (distance) C4'-P energy: -53.946 bonds (distance) P-C4' energy: -55.754 flat angles C4'-P-C4' energy: -55.894 flat angles P-C4'-P energy: -30.343 tors. eta vs tors. theta energy: -63.391 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: 103 Temperature: 1.200000 Total energy: -626.284350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.284350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.284350 (E_RNA) where: Base-Base interactions energy: -390.581 where: short stacking energy: -190.553 Base-Backbone interact. energy: -0.729 local terms energy: -234.974319 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -41.245 flat angles C4'-P-C4' energy: -53.382 flat angles P-C4'-P energy: -40.285 tors. eta vs tors. theta energy: -38.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -602.482485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.482485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.482485 (E_RNA) where: Base-Base interactions energy: -376.828 where: short stacking energy: -176.825 Base-Backbone interact. energy: 2.439 local terms energy: -228.092775 where: bonds (distance) C4'-P energy: -40.560 bonds (distance) P-C4' energy: -49.122 flat angles C4'-P-C4' energy: -52.297 flat angles P-C4'-P energy: -48.525 tors. eta vs tors. theta energy: -37.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -412.493337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.493337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.493337 (E_RNA) where: Base-Base interactions energy: -228.833 where: short stacking energy: -138.260 Base-Backbone interact. energy: 2.210 local terms energy: -185.870050 where: bonds (distance) C4'-P energy: -50.467 bonds (distance) P-C4' energy: -37.997 flat angles C4'-P-C4' energy: -47.755 flat angles P-C4'-P energy: -29.901 tors. eta vs tors. theta energy: -19.751 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: 103 Temperature: 1.350000 Total energy: -267.570619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.570619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.570619 (E_RNA) where: Base-Base interactions energy: -107.021 where: short stacking energy: -86.966 Base-Backbone interact. energy: -0.896 local terms energy: -159.654435 where: bonds (distance) C4'-P energy: -45.666 bonds (distance) P-C4' energy: -52.092 flat angles C4'-P-C4' energy: -33.330 flat angles P-C4'-P energy: -25.847 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1025.068668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.068668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.068668 (E_RNA) where: Base-Base interactions energy: -698.809 where: short stacking energy: -306.130 Base-Backbone interact. energy: 0.193 local terms energy: -326.453070 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -40.138 tors. eta vs tors. theta energy: -90.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1031.191055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.191055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.191055 (E_RNA) where: Base-Base interactions energy: -724.502 where: short stacking energy: -315.612 Base-Backbone interact. energy: -1.976 local terms energy: -304.712608 where: bonds (distance) C4'-P energy: -49.145 bonds (distance) P-C4' energy: -55.570 flat angles C4'-P-C4' energy: -70.094 flat angles P-C4'-P energy: -41.751 tors. eta vs tors. theta energy: -88.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -948.024939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.024939 (E_RNA) where: Base-Base interactions energy: -653.343 where: short stacking energy: -293.650 Base-Backbone interact. energy: 3.125 local terms energy: -297.806722 where: bonds (distance) C4'-P energy: -47.591 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -65.665 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -85.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -844.959689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.959689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.959689 (E_RNA) where: Base-Base interactions energy: -572.729 where: short stacking energy: -263.358 Base-Backbone interact. energy: -1.714 local terms energy: -270.517034 where: bonds (distance) C4'-P energy: -49.817 bonds (distance) P-C4' energy: -49.370 flat angles C4'-P-C4' energy: -54.981 flat angles P-C4'-P energy: -44.880 tors. eta vs tors. theta energy: -71.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -855.638327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.638327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.638327 (E_RNA) where: Base-Base interactions energy: -576.306 where: short stacking energy: -261.117 Base-Backbone interact. energy: 1.461 local terms energy: -280.793252 where: bonds (distance) C4'-P energy: -47.506 bonds (distance) P-C4' energy: -48.784 flat angles C4'-P-C4' energy: -61.615 flat angles P-C4'-P energy: -45.297 tors. eta vs tors. theta energy: -77.591 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: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -783.705375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.705375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.705375 (E_RNA) where: Base-Base interactions energy: -537.069 where: short stacking energy: -229.787 Base-Backbone interact. energy: -0.704 local terms energy: -245.932252 where: bonds (distance) C4'-P energy: -55.175 bonds (distance) P-C4' energy: -50.368 flat angles C4'-P-C4' energy: -61.223 flat angles P-C4'-P energy: -34.724 tors. eta vs tors. theta energy: -44.442 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: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -650.440498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.440498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.440498 (E_RNA) where: Base-Base interactions energy: -421.262 where: short stacking energy: -197.079 Base-Backbone interact. energy: -0.147 local terms energy: -229.030737 where: bonds (distance) C4'-P energy: -45.603 bonds (distance) P-C4' energy: -48.006 flat angles C4'-P-C4' energy: -56.534 flat angles P-C4'-P energy: -29.085 tors. eta vs tors. theta energy: -49.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -622.177517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.177517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.177517 (E_RNA) where: Base-Base interactions energy: -397.707 where: short stacking energy: -191.948 Base-Backbone interact. energy: -2.004 local terms energy: -222.466825 where: bonds (distance) C4'-P energy: -36.723 bonds (distance) P-C4' energy: -54.917 flat angles C4'-P-C4' energy: -60.425 flat angles P-C4'-P energy: -28.153 tors. eta vs tors. theta energy: -42.249 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: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -402.795086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.795086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.795086 (E_RNA) where: Base-Base interactions energy: -209.305 where: short stacking energy: -110.120 Base-Backbone interact. energy: 1.953 local terms energy: -195.442702 where: bonds (distance) C4'-P energy: -48.052 bonds (distance) P-C4' energy: -49.802 flat angles C4'-P-C4' energy: -44.020 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -11.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -245.529893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.529893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.529893 (E_RNA) where: Base-Base interactions energy: -89.199 where: short stacking energy: -76.951 Base-Backbone interact. energy: 0.116 local terms energy: -156.446047 where: bonds (distance) C4'-P energy: -48.588 bonds (distance) P-C4' energy: -51.661 flat angles C4'-P-C4' energy: -48.279 flat angles P-C4'-P energy: -23.402 tors. eta vs tors. theta energy: 15.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1013.364272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.364272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.364272 (E_RNA) where: Base-Base interactions energy: -700.401 where: short stacking energy: -297.951 Base-Backbone interact. energy: -2.702 local terms energy: -310.261214 where: bonds (distance) C4'-P energy: -47.096 bonds (distance) P-C4' energy: -68.569 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -82.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1036.272267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.272267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.272267 (E_RNA) where: Base-Base interactions energy: -733.067 where: short stacking energy: -309.363 Base-Backbone interact. energy: -0.628 local terms energy: -302.577855 where: bonds (distance) C4'-P energy: -56.467 bonds (distance) P-C4' energy: -54.080 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -85.036 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: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -938.769797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.769797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.769797 (E_RNA) where: Base-Base interactions energy: -655.875 where: short stacking energy: -274.911 Base-Backbone interact. energy: 0.215 local terms energy: -283.109829 where: bonds (distance) C4'-P energy: -44.684 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -69.763 flat angles P-C4'-P energy: -37.470 tors. eta vs tors. theta energy: -76.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -879.186759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.186759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.186759 (E_RNA) where: Base-Base interactions energy: -584.782 where: short stacking energy: -276.673 Base-Backbone interact. energy: -0.257 local terms energy: -294.148226 where: bonds (distance) C4'-P energy: -50.214 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -66.557 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: -76.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -860.214815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.214815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.214815 (E_RNA) where: Base-Base interactions energy: -566.032 where: short stacking energy: -249.742 Base-Backbone interact. energy: -1.772 local terms energy: -292.410858 where: bonds (distance) C4'-P energy: -57.684 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -65.134 flat angles P-C4'-P energy: -45.235 tors. eta vs tors. theta energy: -68.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -778.493189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.493189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.493189 (E_RNA) where: Base-Base interactions energy: -523.556 where: short stacking energy: -231.754 Base-Backbone interact. energy: -0.401 local terms energy: -254.536586 where: bonds (distance) C4'-P energy: -51.594 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -54.268 flat angles P-C4'-P energy: -37.635 tors. eta vs tors. theta energy: -55.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -633.196062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.196062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.196062 (E_RNA) where: Base-Base interactions energy: -404.172 where: short stacking energy: -196.437 Base-Backbone interact. energy: 4.317 local terms energy: -233.341650 where: bonds (distance) C4'-P energy: -54.435 bonds (distance) P-C4' energy: -53.387 flat angles C4'-P-C4' energy: -49.634 flat angles P-C4'-P energy: -41.793 tors. eta vs tors. theta energy: -34.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -606.437175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.437175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.437175 (E_RNA) where: Base-Base interactions energy: -397.749 where: short stacking energy: -194.107 Base-Backbone interact. energy: 3.498 local terms energy: -212.185965 where: bonds (distance) C4'-P energy: -38.932 bonds (distance) P-C4' energy: -39.136 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -28.085 tors. eta vs tors. theta energy: -42.310 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: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -407.579961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.579961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.579961 (E_RNA) where: Base-Base interactions energy: -228.079 where: short stacking energy: -116.229 Base-Backbone interact. energy: -1.996 local terms energy: -177.504677 where: bonds (distance) C4'-P energy: -38.435 bonds (distance) P-C4' energy: -51.250 flat angles C4'-P-C4' energy: -47.504 flat angles P-C4'-P energy: -31.945 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -246.954806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.954806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.954806 (E_RNA) where: Base-Base interactions energy: -82.358 where: short stacking energy: -78.197 Base-Backbone interact. energy: -0.202 local terms energy: -164.394583 where: bonds (distance) C4'-P energy: -44.499 bonds (distance) P-C4' energy: -52.130 flat angles C4'-P-C4' energy: -46.802 flat angles P-C4'-P energy: -30.243 tors. eta vs tors. theta energy: 9.278 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: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1049.981170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.981170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.981170 (E_RNA) where: Base-Base interactions energy: -736.995 where: short stacking energy: -301.648 Base-Backbone interact. energy: -0.430 local terms energy: -312.556124 where: bonds (distance) C4'-P energy: -61.800 bonds (distance) P-C4' energy: -62.517 flat angles C4'-P-C4' energy: -63.370 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -82.265 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: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1025.500426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.500426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.500426 (E_RNA) where: Base-Base interactions energy: -713.531 where: short stacking energy: -311.088 Base-Backbone interact. energy: -0.539 local terms energy: -311.430179 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -60.762 flat angles C4'-P-C4' energy: -64.787 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: -89.409 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: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -974.615152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.615152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.615152 (E_RNA) where: Base-Base interactions energy: -675.480 where: short stacking energy: -293.615 Base-Backbone interact. energy: -0.042 local terms energy: -299.093747 where: bonds (distance) C4'-P energy: -57.667 bonds (distance) P-C4' energy: -56.110 flat angles C4'-P-C4' energy: -65.106 flat angles P-C4'-P energy: -37.260 tors. eta vs tors. theta energy: -82.950 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: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -877.943263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.943263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.943263 (E_RNA) where: Base-Base interactions energy: -600.954 where: short stacking energy: -259.678 Base-Backbone interact. energy: 1.764 local terms energy: -278.752762 where: bonds (distance) C4'-P energy: -57.490 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -64.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -797.317972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.317972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.317972 (E_RNA) where: Base-Base interactions energy: -542.109 where: short stacking energy: -250.713 Base-Backbone interact. energy: -1.017 local terms energy: -254.192151 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -41.068 flat angles C4'-P-C4' energy: -59.504 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -59.420 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: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -827.293547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.293547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.293547 (E_RNA) where: Base-Base interactions energy: -559.386 where: short stacking energy: -227.702 Base-Backbone interact. energy: 0.006 local terms energy: -267.912922 where: bonds (distance) C4'-P energy: -47.569 bonds (distance) P-C4' energy: -53.454 flat angles C4'-P-C4' energy: -61.753 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: -63.500 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: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -618.674652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.674652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.674652 (E_RNA) where: Base-Base interactions energy: -409.285 where: short stacking energy: -191.748 Base-Backbone interact. energy: -0.143 local terms energy: -209.246949 where: bonds (distance) C4'-P energy: -48.315 bonds (distance) P-C4' energy: -53.664 flat angles C4'-P-C4' energy: -50.470 flat angles P-C4'-P energy: -24.066 tors. eta vs tors. theta energy: -32.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -616.179533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.179533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.179533 (E_RNA) where: Base-Base interactions energy: -367.575 where: short stacking energy: -167.418 Base-Backbone interact. energy: -0.529 local terms energy: -248.076002 where: bonds (distance) C4'-P energy: -61.232 bonds (distance) P-C4' energy: -59.218 flat angles C4'-P-C4' energy: -57.444 flat angles P-C4'-P energy: -35.998 tors. eta vs tors. theta energy: -34.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -420.061974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.061974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.061974 (E_RNA) where: Base-Base interactions energy: -250.680 where: short stacking energy: -123.700 Base-Backbone interact. energy: -0.744 local terms energy: -168.638570 where: bonds (distance) C4'-P energy: -38.983 bonds (distance) P-C4' energy: -53.042 flat angles C4'-P-C4' energy: -39.260 flat angles P-C4'-P energy: -31.629 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -298.037379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.037379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.037379 (E_RNA) where: Base-Base interactions energy: -121.611 where: short stacking energy: -86.191 Base-Backbone interact. energy: 1.733 local terms energy: -178.158609 where: bonds (distance) C4'-P energy: -43.649 bonds (distance) P-C4' energy: -58.736 flat angles C4'-P-C4' energy: -45.815 flat angles P-C4'-P energy: -35.998 tors. eta vs tors. theta energy: 6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1043.426315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.426315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.426315 (E_RNA) where: Base-Base interactions energy: -732.905 where: short stacking energy: -305.773 Base-Backbone interact. energy: -0.734 local terms energy: -309.787017 where: bonds (distance) C4'-P energy: -61.456 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -64.661 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: -83.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -998.596820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.596820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.596820 (E_RNA) where: Base-Base interactions energy: -690.479 where: short stacking energy: -295.443 Base-Backbone interact. energy: -0.865 local terms energy: -307.252401 where: bonds (distance) C4'-P energy: -50.075 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -67.076 flat angles P-C4'-P energy: -42.002 tors. eta vs tors. theta energy: -83.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -972.794937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.794937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.794937 (E_RNA) where: Base-Base interactions energy: -668.456 where: short stacking energy: -298.500 Base-Backbone interact. energy: -2.877 local terms energy: -301.461684 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -57.965 flat angles C4'-P-C4' energy: -63.536 flat angles P-C4'-P energy: -38.970 tors. eta vs tors. theta energy: -85.936 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: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -895.723740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.723740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.723740 (E_RNA) where: Base-Base interactions energy: -605.739 where: short stacking energy: -261.609 Base-Backbone interact. energy: -0.220 local terms energy: -289.764383 where: bonds (distance) C4'-P energy: -52.904 bonds (distance) P-C4' energy: -61.319 flat angles C4'-P-C4' energy: -66.023 flat angles P-C4'-P energy: -37.583 tors. eta vs tors. theta energy: -71.936 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: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -829.331682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.331682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.331682 (E_RNA) where: Base-Base interactions energy: -559.417 where: short stacking energy: -233.593 Base-Backbone interact. energy: -0.754 local terms energy: -269.161467 where: bonds (distance) C4'-P energy: -47.802 bonds (distance) P-C4' energy: -54.797 flat angles C4'-P-C4' energy: -62.180 flat angles P-C4'-P energy: -33.772 tors. eta vs tors. theta energy: -70.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -815.898682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.898682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.898682 (E_RNA) where: Base-Base interactions energy: -566.715 where: short stacking energy: -234.390 Base-Backbone interact. energy: -0.233 local terms energy: -248.950161 where: bonds (distance) C4'-P energy: -50.870 bonds (distance) P-C4' energy: -51.234 flat angles C4'-P-C4' energy: -57.921 flat angles P-C4'-P energy: -21.727 tors. eta vs tors. theta energy: -67.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -619.243050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.243050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.243050 (E_RNA) where: Base-Base interactions energy: -385.655 where: short stacking energy: -178.115 Base-Backbone interact. energy: 0.006 local terms energy: -233.594696 where: bonds (distance) C4'-P energy: -45.827 bonds (distance) P-C4' energy: -53.679 flat angles C4'-P-C4' energy: -56.109 flat angles P-C4'-P energy: -37.415 tors. eta vs tors. theta energy: -40.564 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -592.191860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.191860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.191860 (E_RNA) where: Base-Base interactions energy: -374.367 where: short stacking energy: -173.672 Base-Backbone interact. energy: -0.390 local terms energy: -217.434617 where: bonds (distance) C4'-P energy: -50.240 bonds (distance) P-C4' energy: -54.895 flat angles C4'-P-C4' energy: -46.795 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -25.010 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: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -427.070244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.070244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.070244 (E_RNA) where: Base-Base interactions energy: -237.916 where: short stacking energy: -124.552 Base-Backbone interact. energy: -0.545 local terms energy: -188.609357 where: bonds (distance) C4'-P energy: -48.060 bonds (distance) P-C4' energy: -45.527 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -24.660 tors. eta vs tors. theta energy: -15.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -255.943176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.943176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.943176 (E_RNA) where: Base-Base interactions energy: -93.554 where: short stacking energy: -78.178 Base-Backbone interact. energy: -1.703 local terms energy: -160.686438 where: bonds (distance) C4'-P energy: -54.405 bonds (distance) P-C4' energy: -42.490 flat angles C4'-P-C4' energy: -48.558 flat angles P-C4'-P energy: -28.717 tors. eta vs tors. theta energy: 13.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1052.265209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.265209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.265209 (E_RNA) where: Base-Base interactions energy: -743.526 where: short stacking energy: -312.235 Base-Backbone interact. energy: -1.377 local terms energy: -307.361716 where: bonds (distance) C4'-P energy: -53.774 bonds (distance) P-C4' energy: -59.864 flat angles C4'-P-C4' energy: -65.855 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -88.298 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1004.796692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.796692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.796692 (E_RNA) where: Base-Base interactions energy: -693.806 where: short stacking energy: -304.240 Base-Backbone interact. energy: -2.015 local terms energy: -308.975348 where: bonds (distance) C4'-P energy: -52.821 bonds (distance) P-C4' energy: -58.277 flat angles C4'-P-C4' energy: -64.706 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -84.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -957.430578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.430578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.430578 (E_RNA) where: Base-Base interactions energy: -671.985 where: short stacking energy: -294.298 Base-Backbone interact. energy: 0.605 local terms energy: -286.050575 where: bonds (distance) C4'-P energy: -57.475 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -57.547 flat angles P-C4'-P energy: -33.272 tors. eta vs tors. theta energy: -82.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -893.998121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.998121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.998121 (E_RNA) where: Base-Base interactions energy: -611.292 where: short stacking energy: -269.036 Base-Backbone interact. energy: -1.254 local terms energy: -281.452209 where: bonds (distance) C4'-P energy: -52.187 bonds (distance) P-C4' energy: -58.099 flat angles C4'-P-C4' energy: -64.182 flat angles P-C4'-P energy: -37.368 tors. eta vs tors. theta energy: -69.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -817.439857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.439857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.439857 (E_RNA) where: Base-Base interactions energy: -555.051 where: short stacking energy: -243.569 Base-Backbone interact. energy: -0.869 local terms energy: -261.519326 where: bonds (distance) C4'-P energy: -50.479 bonds (distance) P-C4' energy: -52.786 flat angles C4'-P-C4' energy: -52.269 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: -74.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -805.582692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.582692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.582692 (E_RNA) where: Base-Base interactions energy: -567.983 where: short stacking energy: -240.907 Base-Backbone interact. energy: -1.668 local terms energy: -235.932544 where: bonds (distance) C4'-P energy: -43.329 bonds (distance) P-C4' energy: -45.841 flat angles C4'-P-C4' energy: -48.309 flat angles P-C4'-P energy: -39.171 tors. eta vs tors. theta energy: -59.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -578.736338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.736338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.736338 (E_RNA) where: Base-Base interactions energy: -363.249 where: short stacking energy: -179.623 Base-Backbone interact. energy: -1.469 local terms energy: -214.018879 where: bonds (distance) C4'-P energy: -47.227 bonds (distance) P-C4' energy: -60.160 flat angles C4'-P-C4' energy: -42.868 flat angles P-C4'-P energy: -31.541 tors. eta vs tors. theta energy: -32.223 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: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -594.081481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.081481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.081481 (E_RNA) where: Base-Base interactions energy: -366.719 where: short stacking energy: -170.741 Base-Backbone interact. energy: -1.685 local terms energy: -225.677586 where: bonds (distance) C4'-P energy: -51.256 bonds (distance) P-C4' energy: -50.641 flat angles C4'-P-C4' energy: -52.968 flat angles P-C4'-P energy: -38.648 tors. eta vs tors. theta energy: -32.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -403.685134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.685134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.685134 (E_RNA) where: Base-Base interactions energy: -224.872 where: short stacking energy: -137.486 Base-Backbone interact. energy: 3.031 local terms energy: -181.844643 where: bonds (distance) C4'-P energy: -44.348 bonds (distance) P-C4' energy: -50.130 flat angles C4'-P-C4' energy: -50.026 flat angles P-C4'-P energy: -24.306 tors. eta vs tors. theta energy: -13.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -250.031195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.031195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.031195 (E_RNA) where: Base-Base interactions energy: -109.432 where: short stacking energy: -95.350 Base-Backbone interact. energy: 1.957 local terms energy: -142.555395 where: bonds (distance) C4'-P energy: -49.446 bonds (distance) P-C4' energy: -43.654 flat angles C4'-P-C4' energy: -30.071 flat angles P-C4'-P energy: -26.221 tors. eta vs tors. theta energy: 6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1044.857771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.857771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.857771 (E_RNA) where: Base-Base interactions energy: -748.521 where: short stacking energy: -317.642 Base-Backbone interact. energy: -1.145 local terms energy: -295.192431 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -52.598 flat angles C4'-P-C4' energy: -58.697 flat angles P-C4'-P energy: -39.181 tors. eta vs tors. theta energy: -84.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -997.132093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.132093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.132093 (E_RNA) where: Base-Base interactions energy: -689.356 where: short stacking energy: -277.644 Base-Backbone interact. energy: -1.794 local terms energy: -305.981539 where: bonds (distance) C4'-P energy: -56.429 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -59.267 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -87.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -952.966963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.966963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.966963 (E_RNA) where: Base-Base interactions energy: -664.258 where: short stacking energy: -284.600 Base-Backbone interact. energy: -0.628 local terms energy: -288.080947 where: bonds (distance) C4'-P energy: -58.612 bonds (distance) P-C4' energy: -52.313 flat angles C4'-P-C4' energy: -57.869 flat angles P-C4'-P energy: -40.135 tors. eta vs tors. theta energy: -79.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -909.398441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.398441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.398441 (E_RNA) where: Base-Base interactions energy: -616.769 where: short stacking energy: -271.815 Base-Backbone interact. energy: -0.886 local terms energy: -291.743488 where: bonds (distance) C4'-P energy: -54.155 bonds (distance) P-C4' energy: -64.302 flat angles C4'-P-C4' energy: -53.761 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: -77.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -841.346358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.346358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.346358 (E_RNA) where: Base-Base interactions energy: -568.885 where: short stacking energy: -237.238 Base-Backbone interact. energy: -2.240 local terms energy: -270.221053 where: bonds (distance) C4'-P energy: -52.497 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -59.062 flat angles P-C4'-P energy: -37.397 tors. eta vs tors. theta energy: -67.565 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: 109 Temperature: 1.150000 Total energy: -802.412933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.412933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.412933 (E_RNA) where: Base-Base interactions energy: -554.290 where: short stacking energy: -257.745 Base-Backbone interact. energy: 0.909 local terms energy: -249.031332 where: bonds (distance) C4'-P energy: -41.780 bonds (distance) P-C4' energy: -50.069 flat angles C4'-P-C4' energy: -57.783 flat angles P-C4'-P energy: -29.580 tors. eta vs tors. theta energy: -69.819 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: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -627.301455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.301455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.301455 (E_RNA) where: Base-Base interactions energy: -396.464 where: short stacking energy: -196.022 Base-Backbone interact. energy: 1.528 local terms energy: -232.365118 where: bonds (distance) C4'-P energy: -49.367 bonds (distance) P-C4' energy: -52.905 flat angles C4'-P-C4' energy: -56.991 flat angles P-C4'-P energy: -38.429 tors. eta vs tors. theta energy: -34.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -580.145998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.145998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.145998 (E_RNA) where: Base-Base interactions energy: -360.874 where: short stacking energy: -170.180 Base-Backbone interact. energy: -0.146 local terms energy: -219.125763 where: bonds (distance) C4'-P energy: -44.950 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -49.434 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -28.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -490.417597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.417597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.417597 (E_RNA) where: Base-Base interactions energy: -308.963 where: short stacking energy: -161.917 Base-Backbone interact. energy: -1.291 local terms energy: -180.164112 where: bonds (distance) C4'-P energy: -44.016 bonds (distance) P-C4' energy: -31.897 flat angles C4'-P-C4' energy: -60.067 flat angles P-C4'-P energy: -13.531 tors. eta vs tors. theta energy: -30.653 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: 109 Temperature: 1.350000 Total energy: -247.300939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.300939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.300939 (E_RNA) where: Base-Base interactions energy: -82.847 where: short stacking energy: -63.892 Base-Backbone interact. energy: 0.103 local terms energy: -164.557373 where: bonds (distance) C4'-P energy: -58.379 bonds (distance) P-C4' energy: -47.159 flat angles C4'-P-C4' energy: -39.760 flat angles P-C4'-P energy: -30.292 tors. eta vs tors. theta energy: 11.033 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: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1059.594062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.594062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.594062 (E_RNA) where: Base-Base interactions energy: -743.999 where: short stacking energy: -323.499 Base-Backbone interact. energy: 1.195 local terms energy: -316.790188 where: bonds (distance) C4'-P energy: -51.878 bonds (distance) P-C4' energy: -60.745 flat angles C4'-P-C4' energy: -70.729 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -91.268 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: 110 Temperature: 0.950000 Total energy: -957.204754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.204754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.204754 (E_RNA) where: Base-Base interactions energy: -655.753 where: short stacking energy: -276.125 Base-Backbone interact. energy: 0.051 local terms energy: -301.503074 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -61.809 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -72.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -922.812455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.812455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.812455 (E_RNA) where: Base-Base interactions energy: -634.617 where: short stacking energy: -280.275 Base-Backbone interact. energy: -0.220 local terms energy: -287.975630 where: bonds (distance) C4'-P energy: -48.829 bonds (distance) P-C4' energy: -57.239 flat angles C4'-P-C4' energy: -68.949 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -74.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -907.315026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.315026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.315026 (E_RNA) where: Base-Base interactions energy: -622.865 where: short stacking energy: -265.124 Base-Backbone interact. energy: -1.938 local terms energy: -282.512209 where: bonds (distance) C4'-P energy: -57.662 bonds (distance) P-C4' energy: -56.119 flat angles C4'-P-C4' energy: -58.183 flat angles P-C4'-P energy: -40.260 tors. eta vs tors. theta energy: -70.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -846.418877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.418877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.418877 (E_RNA) where: Base-Base interactions energy: -577.576 where: short stacking energy: -240.210 Base-Backbone interact. energy: -1.974 local terms energy: -266.868353 where: bonds (distance) C4'-P energy: -49.675 bonds (distance) P-C4' energy: -60.278 flat angles C4'-P-C4' energy: -64.898 flat angles P-C4'-P energy: -28.646 tors. eta vs tors. theta energy: -63.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -776.867927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.867927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.867927 (E_RNA) where: Base-Base interactions energy: -526.888 where: short stacking energy: -225.218 Base-Backbone interact. energy: -1.636 local terms energy: -248.343467 where: bonds (distance) C4'-P energy: -41.356 bonds (distance) P-C4' energy: -58.252 flat angles C4'-P-C4' energy: -54.405 flat angles P-C4'-P energy: -36.395 tors. eta vs tors. theta energy: -57.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -622.393018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.393018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.393018 (E_RNA) where: Base-Base interactions energy: -398.419 where: short stacking energy: -189.019 Base-Backbone interact. energy: 4.650 local terms energy: -228.623819 where: bonds (distance) C4'-P energy: -43.124 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -51.966 flat angles P-C4'-P energy: -35.941 tors. eta vs tors. theta energy: -36.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -597.852893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.852893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.852893 (E_RNA) where: Base-Base interactions energy: -391.520 where: short stacking energy: -193.295 Base-Backbone interact. energy: -0.845 local terms energy: -205.487567 where: bonds (distance) C4'-P energy: -42.858 bonds (distance) P-C4' energy: -48.479 flat angles C4'-P-C4' energy: -42.664 flat angles P-C4'-P energy: -38.257 tors. eta vs tors. theta energy: -33.230 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: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -474.445515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.445515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.445515 (E_RNA) where: Base-Base interactions energy: -273.596 where: short stacking energy: -127.492 Base-Backbone interact. energy: -0.754 local terms energy: -200.095634 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -48.486 flat angles C4'-P-C4' energy: -45.853 flat angles P-C4'-P energy: -29.288 tors. eta vs tors. theta energy: -24.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -258.719280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.719280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.719280 (E_RNA) where: Base-Base interactions energy: -99.173 where: short stacking energy: -84.649 Base-Backbone interact. energy: 0.437 local terms energy: -159.983732 where: bonds (distance) C4'-P energy: -53.940 bonds (distance) P-C4' energy: -49.169 flat angles C4'-P-C4' energy: -27.152 flat angles P-C4'-P energy: -16.650 tors. eta vs tors. theta energy: -13.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1047.211104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.211104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.211104 (E_RNA) where: Base-Base interactions energy: -736.018 where: short stacking energy: -311.729 Base-Backbone interact. energy: -2.953 local terms energy: -308.239838 where: bonds (distance) C4'-P energy: -50.135 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -51.656 tors. eta vs tors. theta energy: -89.200 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: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -970.918451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.918451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.918451 (E_RNA) where: Base-Base interactions energy: -665.974 where: short stacking energy: -296.020 Base-Backbone interact. energy: 0.391 local terms energy: -305.335885 where: bonds (distance) C4'-P energy: -51.220 bonds (distance) P-C4' energy: -63.073 flat angles C4'-P-C4' energy: -64.672 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: -88.536 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: 3, replica: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -927.143573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.143573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.143573 (E_RNA) where: Base-Base interactions energy: -621.566 where: short stacking energy: -290.664 Base-Backbone interact. energy: -0.368 local terms energy: -305.209491 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -55.111 flat angles C4'-P-C4' energy: -64.070 flat angles P-C4'-P energy: -46.796 tors. eta vs tors. theta energy: -80.973 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: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -924.927097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.927097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.927097 (E_RNA) where: Base-Base interactions energy: -642.352 where: short stacking energy: -289.041 Base-Backbone interact. energy: -0.190 local terms energy: -282.384843 where: bonds (distance) C4'-P energy: -52.500 bonds (distance) P-C4' energy: -49.510 flat angles C4'-P-C4' energy: -57.246 flat angles P-C4'-P energy: -44.828 tors. eta vs tors. theta energy: -78.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -842.131219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.131219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.131219 (E_RNA) where: Base-Base interactions energy: -563.029 where: short stacking energy: -245.389 Base-Backbone interact. energy: -0.422 local terms energy: -278.680520 where: bonds (distance) C4'-P energy: -56.293 bonds (distance) P-C4' energy: -56.040 flat angles C4'-P-C4' energy: -51.934 flat angles P-C4'-P energy: -38.774 tors. eta vs tors. theta energy: -75.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -760.346606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.346606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.346606 (E_RNA) where: Base-Base interactions energy: -503.130 where: short stacking energy: -222.637 Base-Backbone interact. energy: 0.590 local terms energy: -257.806164 where: bonds (distance) C4'-P energy: -44.884 bonds (distance) P-C4' energy: -61.931 flat angles C4'-P-C4' energy: -51.066 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -59.646 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: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -653.911729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.911729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.911729 (E_RNA) where: Base-Base interactions energy: -424.940 where: short stacking energy: -180.350 Base-Backbone interact. energy: -0.070 local terms energy: -228.901932 where: bonds (distance) C4'-P energy: -49.137 bonds (distance) P-C4' energy: -54.393 flat angles C4'-P-C4' energy: -54.162 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -33.335 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: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -606.891155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.891155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.891155 (E_RNA) where: Base-Base interactions energy: -384.240 where: short stacking energy: -171.603 Base-Backbone interact. energy: -1.675 local terms energy: -220.976173 where: bonds (distance) C4'-P energy: -45.371 bonds (distance) P-C4' energy: -58.691 flat angles C4'-P-C4' energy: -44.621 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -30.123 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: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -422.977641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.977641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.977641 (E_RNA) where: Base-Base interactions energy: -236.254 where: short stacking energy: -100.468 Base-Backbone interact. energy: -2.206 local terms energy: -184.517458 where: bonds (distance) C4'-P energy: -50.754 bonds (distance) P-C4' energy: -55.145 flat angles C4'-P-C4' energy: -46.311 flat angles P-C4'-P energy: -19.425 tors. eta vs tors. theta energy: -12.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -270.359654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.359654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.359654 (E_RNA) where: Base-Base interactions energy: -111.436 where: short stacking energy: -86.788 Base-Backbone interact. energy: 5.226 local terms energy: -164.149784 where: bonds (distance) C4'-P energy: -50.324 bonds (distance) P-C4' energy: -52.191 flat angles C4'-P-C4' energy: -27.612 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: 0.358 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: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1032.419542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.419542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.419542 (E_RNA) where: Base-Base interactions energy: -723.050 where: short stacking energy: -315.052 Base-Backbone interact. energy: -1.046 local terms energy: -308.324254 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -55.426 flat angles C4'-P-C4' energy: -62.827 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: -80.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -972.786264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.786264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.786264 (E_RNA) where: Base-Base interactions energy: -663.914 where: short stacking energy: -299.875 Base-Backbone interact. energy: 2.218 local terms energy: -311.089949 where: bonds (distance) C4'-P energy: -58.411 bonds (distance) P-C4' energy: -57.056 flat angles C4'-P-C4' energy: -66.442 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: -85.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -928.239997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.239997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.239997 (E_RNA) where: Base-Base interactions energy: -641.828 where: short stacking energy: -276.896 Base-Backbone interact. energy: -0.981 local terms energy: -285.431069 where: bonds (distance) C4'-P energy: -54.956 bonds (distance) P-C4' energy: -58.024 flat angles C4'-P-C4' energy: -56.955 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -74.254 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: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -931.377523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.377523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.377523 (E_RNA) where: Base-Base interactions energy: -653.959 where: short stacking energy: -268.390 Base-Backbone interact. energy: -1.229 local terms energy: -276.189093 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -54.033 flat angles C4'-P-C4' energy: -59.814 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -71.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -879.915428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.915428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.915428 (E_RNA) where: Base-Base interactions energy: -602.058 where: short stacking energy: -274.761 Base-Backbone interact. energy: -1.320 local terms energy: -276.537952 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -47.319 flat angles C4'-P-C4' energy: -60.037 flat angles P-C4'-P energy: -40.154 tors. eta vs tors. theta energy: -71.979 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: 6, replica: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -764.880945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.880945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.880945 (E_RNA) where: Base-Base interactions energy: -503.187 where: short stacking energy: -236.379 Base-Backbone interact. energy: -1.034 local terms energy: -260.659736 where: bonds (distance) C4'-P energy: -48.978 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -56.048 flat angles P-C4'-P energy: -32.033 tors. eta vs tors. theta energy: -64.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -643.981947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.981947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.981947 (E_RNA) where: Base-Base interactions energy: -404.847 where: short stacking energy: -186.301 Base-Backbone interact. energy: -0.809 local terms energy: -238.325426 where: bonds (distance) C4'-P energy: -44.440 bonds (distance) P-C4' energy: -56.765 flat angles C4'-P-C4' energy: -59.099 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -41.191 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: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -632.350419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.350419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.350419 (E_RNA) where: Base-Base interactions energy: -410.240 where: short stacking energy: -179.259 Base-Backbone interact. energy: -0.019 local terms energy: -222.091657 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -58.430 flat angles C4'-P-C4' energy: -53.981 flat angles P-C4'-P energy: -30.680 tors. eta vs tors. theta energy: -28.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -428.762356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.762356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.762356 (E_RNA) where: Base-Base interactions energy: -264.073 where: short stacking energy: -143.805 Base-Backbone interact. energy: -0.937 local terms energy: -163.753149 where: bonds (distance) C4'-P energy: -42.333 bonds (distance) P-C4' energy: -47.776 flat angles C4'-P-C4' energy: -39.280 flat angles P-C4'-P energy: -15.905 tors. eta vs tors. theta energy: -18.459 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: 112 Temperature: 1.350000 Total energy: -251.715542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.715542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.715542 (E_RNA) where: Base-Base interactions energy: -105.644 where: short stacking energy: -75.041 Base-Backbone interact. energy: 2.138 local terms energy: -148.209018 where: bonds (distance) C4'-P energy: -43.888 bonds (distance) P-C4' energy: -42.774 flat angles C4'-P-C4' energy: -50.365 flat angles P-C4'-P energy: -19.661 tors. eta vs tors. theta energy: 8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1068.464310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.464310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.464310 (E_RNA) where: Base-Base interactions energy: -747.166 where: short stacking energy: -317.031 Base-Backbone interact. energy: -0.389 local terms energy: -320.908849 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -65.786 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -36.519 tors. eta vs tors. theta energy: -90.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -944.015877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.015877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.015877 (E_RNA) where: Base-Base interactions energy: -658.277 where: short stacking energy: -296.139 Base-Backbone interact. energy: -1.114 local terms energy: -284.625251 where: bonds (distance) C4'-P energy: -51.742 bonds (distance) P-C4' energy: -52.610 flat angles C4'-P-C4' energy: -58.479 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: -75.533 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: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -957.426409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.426409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.426409 (E_RNA) where: Base-Base interactions energy: -654.388 where: short stacking energy: -281.545 Base-Backbone interact. energy: -1.115 local terms energy: -301.923358 where: bonds (distance) C4'-P energy: -54.228 bonds (distance) P-C4' energy: -59.264 flat angles C4'-P-C4' energy: -54.015 flat angles P-C4'-P energy: -42.790 tors. eta vs tors. theta energy: -91.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -907.338100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.338100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.338100 (E_RNA) where: Base-Base interactions energy: -629.434 where: short stacking energy: -269.627 Base-Backbone interact. energy: -2.013 local terms energy: -275.891461 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -50.372 flat angles P-C4'-P energy: -36.708 tors. eta vs tors. theta energy: -71.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -850.645564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.645564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.645564 (E_RNA) where: Base-Base interactions energy: -595.964 where: short stacking energy: -249.902 Base-Backbone interact. energy: -2.229 local terms energy: -252.452319 where: bonds (distance) C4'-P energy: -50.773 bonds (distance) P-C4' energy: -49.422 flat angles C4'-P-C4' energy: -64.831 flat angles P-C4'-P energy: -25.108 tors. eta vs tors. theta energy: -62.318 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: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -756.049497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.049497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.049497 (E_RNA) where: Base-Base interactions energy: -501.500 where: short stacking energy: -230.730 Base-Backbone interact. energy: -0.982 local terms energy: -253.567475 where: bonds (distance) C4'-P energy: -48.057 bonds (distance) P-C4' energy: -52.061 flat angles C4'-P-C4' energy: -52.531 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -69.093 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: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -642.511318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.511318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.511318 (E_RNA) where: Base-Base interactions energy: -419.368 where: short stacking energy: -190.651 Base-Backbone interact. energy: 1.352 local terms energy: -224.495767 where: bonds (distance) C4'-P energy: -46.446 bonds (distance) P-C4' energy: -52.840 flat angles C4'-P-C4' energy: -54.276 flat angles P-C4'-P energy: -34.786 tors. eta vs tors. theta energy: -36.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -605.840410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.840410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.840410 (E_RNA) where: Base-Base interactions energy: -375.860 where: short stacking energy: -168.823 Base-Backbone interact. energy: -0.748 local terms energy: -229.231754 where: bonds (distance) C4'-P energy: -47.851 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -64.032 flat angles P-C4'-P energy: -28.701 tors. eta vs tors. theta energy: -30.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -422.979109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.979109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.979109 (E_RNA) where: Base-Base interactions energy: -253.957 where: short stacking energy: -136.331 Base-Backbone interact. energy: 5.016 local terms energy: -174.038388 where: bonds (distance) C4'-P energy: -43.070 bonds (distance) P-C4' energy: -50.820 flat angles C4'-P-C4' energy: -40.814 flat angles P-C4'-P energy: -26.706 tors. eta vs tors. theta energy: -12.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -258.652619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.652619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.652619 (E_RNA) where: Base-Base interactions energy: -93.279 where: short stacking energy: -66.566 Base-Backbone interact. energy: -1.811 local terms energy: -163.562780 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -53.539 flat angles C4'-P-C4' energy: -35.817 flat angles P-C4'-P energy: -33.873 tors. eta vs tors. theta energy: 16.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1084.830885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.830885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.830885 (E_RNA) where: Base-Base interactions energy: -763.744 where: short stacking energy: -313.339 Base-Backbone interact. energy: 4.628 local terms energy: -325.714769 where: bonds (distance) C4'-P energy: -68.541 bonds (distance) P-C4' energy: -54.721 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -43.498 tors. eta vs tors. theta energy: -91.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -924.284397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.284397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.284397 (E_RNA) where: Base-Base interactions energy: -632.310 where: short stacking energy: -280.105 Base-Backbone interact. energy: -0.712 local terms energy: -291.262326 where: bonds (distance) C4'-P energy: -53.880 bonds (distance) P-C4' energy: -43.959 flat angles C4'-P-C4' energy: -71.307 flat angles P-C4'-P energy: -46.482 tors. eta vs tors. theta energy: -75.634 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: 114 Temperature: 1.000000 Total energy: -949.672170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.672170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.672170 (E_RNA) where: Base-Base interactions energy: -675.103 where: short stacking energy: -268.466 Base-Backbone interact. energy: -1.379 local terms energy: -273.189771 where: bonds (distance) C4'-P energy: -48.518 bonds (distance) P-C4' energy: -58.807 flat angles C4'-P-C4' energy: -64.380 flat angles P-C4'-P energy: -27.252 tors. eta vs tors. theta energy: -74.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -910.772182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.772182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.772182 (E_RNA) where: Base-Base interactions energy: -610.010 where: short stacking energy: -273.554 Base-Backbone interact. energy: -1.470 local terms energy: -299.292128 where: bonds (distance) C4'-P energy: -51.750 bonds (distance) P-C4' energy: -64.898 flat angles C4'-P-C4' energy: -63.575 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -77.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -880.160159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.160159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.160159 (E_RNA) where: Base-Base interactions energy: -625.976 where: short stacking energy: -249.562 Base-Backbone interact. energy: 2.478 local terms energy: -256.662077 where: bonds (distance) C4'-P energy: -57.782 bonds (distance) P-C4' energy: -45.809 flat angles C4'-P-C4' energy: -54.523 flat angles P-C4'-P energy: -37.554 tors. eta vs tors. theta energy: -60.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -735.617939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.617939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.617939 (E_RNA) where: Base-Base interactions energy: -496.295 where: short stacking energy: -209.727 Base-Backbone interact. energy: 1.364 local terms energy: -240.687778 where: bonds (distance) C4'-P energy: -44.158 bonds (distance) P-C4' energy: -53.895 flat angles C4'-P-C4' energy: -58.558 flat angles P-C4'-P energy: -30.567 tors. eta vs tors. theta energy: -53.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -651.263607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.263607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.263607 (E_RNA) where: Base-Base interactions energy: -396.794 where: short stacking energy: -188.822 Base-Backbone interact. energy: 1.882 local terms energy: -256.352123 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -55.717 flat angles C4'-P-C4' energy: -53.612 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -48.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -577.806230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.806230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.806230 (E_RNA) where: Base-Base interactions energy: -340.071 where: short stacking energy: -167.250 Base-Backbone interact. energy: -0.286 local terms energy: -237.449123 where: bonds (distance) C4'-P energy: -56.552 bonds (distance) P-C4' energy: -57.124 flat angles C4'-P-C4' energy: -49.616 flat angles P-C4'-P energy: -37.905 tors. eta vs tors. theta energy: -36.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -442.680982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.680982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.680982 (E_RNA) where: Base-Base interactions energy: -250.735 where: short stacking energy: -125.559 Base-Backbone interact. energy: -0.906 local terms energy: -191.040460 where: bonds (distance) C4'-P energy: -43.700 bonds (distance) P-C4' energy: -53.950 flat angles C4'-P-C4' energy: -48.302 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: -7.659 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: 114 Temperature: 1.350000 Total energy: -269.612379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.612379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.612379 (E_RNA) where: Base-Base interactions energy: -129.642 where: short stacking energy: -88.671 Base-Backbone interact. energy: 2.189 local terms energy: -142.159543 where: bonds (distance) C4'-P energy: -43.048 bonds (distance) P-C4' energy: -53.906 flat angles C4'-P-C4' energy: -36.818 flat angles P-C4'-P energy: -14.917 tors. eta vs tors. theta energy: 6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1066.301838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.301838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.301838 (E_RNA) where: Base-Base interactions energy: -756.285 where: short stacking energy: -313.114 Base-Backbone interact. energy: 1.420 local terms energy: -311.436487 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -37.753 tors. eta vs tors. theta energy: -87.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -973.238087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.238087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.238087 (E_RNA) where: Base-Base interactions energy: -655.536 where: short stacking energy: -291.943 Base-Backbone interact. energy: -0.438 local terms energy: -317.263527 where: bonds (distance) C4'-P energy: -59.309 bonds (distance) P-C4' energy: -63.845 flat angles C4'-P-C4' energy: -67.839 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -80.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -919.446148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.446148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.446148 (E_RNA) where: Base-Base interactions energy: -636.847 where: short stacking energy: -284.805 Base-Backbone interact. energy: -0.158 local terms energy: -282.441763 where: bonds (distance) C4'-P energy: -39.037 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -74.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -927.208053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.208053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.208053 (E_RNA) where: Base-Base interactions energy: -637.773 where: short stacking energy: -285.007 Base-Backbone interact. energy: -1.977 local terms energy: -287.458651 where: bonds (distance) C4'-P energy: -46.994 bonds (distance) P-C4' energy: -58.565 flat angles C4'-P-C4' energy: -66.116 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -77.883 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: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -859.464218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.464218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.464218 (E_RNA) where: Base-Base interactions energy: -581.601 where: short stacking energy: -243.405 Base-Backbone interact. energy: -1.119 local terms energy: -276.744320 where: bonds (distance) C4'-P energy: -47.967 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -59.424 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -66.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -730.322625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.322625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.322625 (E_RNA) where: Base-Base interactions energy: -481.487 where: short stacking energy: -211.987 Base-Backbone interact. energy: -0.870 local terms energy: -247.965287 where: bonds (distance) C4'-P energy: -48.236 bonds (distance) P-C4' energy: -58.627 flat angles C4'-P-C4' energy: -45.079 flat angles P-C4'-P energy: -38.211 tors. eta vs tors. theta energy: -57.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -639.504568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.504568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.504568 (E_RNA) where: Base-Base interactions energy: -427.400 where: short stacking energy: -202.888 Base-Backbone interact. energy: -0.255 local terms energy: -211.849782 where: bonds (distance) C4'-P energy: -34.873 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -57.517 flat angles P-C4'-P energy: -24.932 tors. eta vs tors. theta energy: -32.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -572.292227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.292227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.292227 (E_RNA) where: Base-Base interactions energy: -362.954 where: short stacking energy: -176.041 Base-Backbone interact. energy: -1.270 local terms energy: -208.068758 where: bonds (distance) C4'-P energy: -47.788 bonds (distance) P-C4' energy: -41.738 flat angles C4'-P-C4' energy: -54.847 flat angles P-C4'-P energy: -32.411 tors. eta vs tors. theta energy: -31.284 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: 115 Temperature: 1.300000 Total energy: -458.424019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.424019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.424019 (E_RNA) where: Base-Base interactions energy: -254.291 where: short stacking energy: -140.467 Base-Backbone interact. energy: -2.169 local terms energy: -201.963915 where: bonds (distance) C4'-P energy: -51.622 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -41.075 flat angles P-C4'-P energy: -32.013 tors. eta vs tors. theta energy: -22.916 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: 115 Temperature: 1.350000 Total energy: -263.159826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.159826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.159826 (E_RNA) where: Base-Base interactions energy: -105.213 where: short stacking energy: -85.550 Base-Backbone interact. energy: -0.804 local terms energy: -157.142704 where: bonds (distance) C4'-P energy: -43.023 bonds (distance) P-C4' energy: -52.186 flat angles C4'-P-C4' energy: -38.009 flat angles P-C4'-P energy: -29.202 tors. eta vs tors. theta energy: 5.278 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: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1058.423117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.423117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.423117 (E_RNA) where: Base-Base interactions energy: -765.147 where: short stacking energy: -331.753 Base-Backbone interact. energy: -1.171 local terms energy: -292.104727 where: bonds (distance) C4'-P energy: -53.678 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -61.013 flat angles P-C4'-P energy: -30.477 tors. eta vs tors. theta energy: -87.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -965.414719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.414719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.414719 (E_RNA) where: Base-Base interactions energy: -665.225 where: short stacking energy: -291.528 Base-Backbone interact. energy: -1.099 local terms energy: -299.090148 where: bonds (distance) C4'-P energy: -58.296 bonds (distance) P-C4' energy: -53.338 flat angles C4'-P-C4' energy: -64.403 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -80.769 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: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -952.341745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.341745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.341745 (E_RNA) where: Base-Base interactions energy: -639.145 where: short stacking energy: -274.504 Base-Backbone interact. energy: -0.175 local terms energy: -313.021985 where: bonds (distance) C4'-P energy: -64.600 bonds (distance) P-C4' energy: -64.384 flat angles C4'-P-C4' energy: -54.398 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -81.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -888.185403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.185403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.185403 (E_RNA) where: Base-Base interactions energy: -598.089 where: short stacking energy: -255.283 Base-Backbone interact. energy: 0.861 local terms energy: -290.957498 where: bonds (distance) C4'-P energy: -54.280 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -56.501 flat angles P-C4'-P energy: -52.972 tors. eta vs tors. theta energy: -68.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -834.999199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.999199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.999199 (E_RNA) where: Base-Base interactions energy: -559.922 where: short stacking energy: -246.945 Base-Backbone interact. energy: -1.181 local terms energy: -273.895747 where: bonds (distance) C4'-P energy: -61.644 bonds (distance) P-C4' energy: -65.732 flat angles C4'-P-C4' energy: -49.064 flat angles P-C4'-P energy: -31.502 tors. eta vs tors. theta energy: -65.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -732.970373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.970373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.970373 (E_RNA) where: Base-Base interactions energy: -469.328 where: short stacking energy: -232.344 Base-Backbone interact. energy: -0.527 local terms energy: -263.115771 where: bonds (distance) C4'-P energy: -43.420 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -38.294 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: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -609.145193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.145193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.145193 (E_RNA) where: Base-Base interactions energy: -378.433 where: short stacking energy: -169.667 Base-Backbone interact. energy: -0.967 local terms energy: -229.745436 where: bonds (distance) C4'-P energy: -42.886 bonds (distance) P-C4' energy: -59.342 flat angles C4'-P-C4' energy: -54.485 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: -36.872 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: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -579.122981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.122981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.122981 (E_RNA) where: Base-Base interactions energy: -382.481 where: short stacking energy: -160.753 Base-Backbone interact. energy: -1.533 local terms energy: -195.108234 where: bonds (distance) C4'-P energy: -44.521 bonds (distance) P-C4' energy: -48.789 flat angles C4'-P-C4' energy: -44.517 flat angles P-C4'-P energy: -38.238 tors. eta vs tors. theta energy: -19.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -443.566332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.566332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.566332 (E_RNA) where: Base-Base interactions energy: -251.221 where: short stacking energy: -147.130 Base-Backbone interact. energy: 1.307 local terms energy: -193.653181 where: bonds (distance) C4'-P energy: -45.796 bonds (distance) P-C4' energy: -52.228 flat angles C4'-P-C4' energy: -47.881 flat angles P-C4'-P energy: -20.338 tors. eta vs tors. theta energy: -27.410 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: 116 Temperature: 1.350000 Total energy: -262.386261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.386261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.386261 (E_RNA) where: Base-Base interactions energy: -106.743 where: short stacking energy: -81.878 Base-Backbone interact. energy: 4.688 local terms energy: -160.330577 where: bonds (distance) C4'-P energy: -36.369 bonds (distance) P-C4' energy: -48.657 flat angles C4'-P-C4' energy: -47.900 flat angles P-C4'-P energy: -34.776 tors. eta vs tors. theta energy: 7.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1065.135376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.135376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.135376 (E_RNA) where: Base-Base interactions energy: -751.827 where: short stacking energy: -318.509 Base-Backbone interact. energy: -0.941 local terms energy: -312.366933 where: bonds (distance) C4'-P energy: -51.556 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -62.725 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -85.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -984.376512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.376512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.376512 (E_RNA) where: Base-Base interactions energy: -679.861 where: short stacking energy: -287.452 Base-Backbone interact. energy: 0.951 local terms energy: -305.466919 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -30.934 tors. eta vs tors. theta energy: -90.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -948.594355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.594355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.594355 (E_RNA) where: Base-Base interactions energy: -651.644 where: short stacking energy: -284.525 Base-Backbone interact. energy: 1.520 local terms energy: -298.471036 where: bonds (distance) C4'-P energy: -47.701 bonds (distance) P-C4' energy: -56.436 flat angles C4'-P-C4' energy: -65.412 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -82.072 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: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -895.475491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.475491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.475491 (E_RNA) where: Base-Base interactions energy: -613.966 where: short stacking energy: -273.689 Base-Backbone interact. energy: -0.791 local terms energy: -280.717881 where: bonds (distance) C4'-P energy: -53.118 bonds (distance) P-C4' energy: -60.983 flat angles C4'-P-C4' energy: -57.615 flat angles P-C4'-P energy: -42.256 tors. eta vs tors. theta energy: -66.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -867.681958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.681958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.681958 (E_RNA) where: Base-Base interactions energy: -601.383 where: short stacking energy: -262.574 Base-Backbone interact. energy: -0.954 local terms energy: -265.345701 where: bonds (distance) C4'-P energy: -46.022 bonds (distance) P-C4' energy: -60.478 flat angles C4'-P-C4' energy: -53.215 flat angles P-C4'-P energy: -41.452 tors. eta vs tors. theta energy: -64.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -724.931894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.931894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.931894 (E_RNA) where: Base-Base interactions energy: -469.070 where: short stacking energy: -216.673 Base-Backbone interact. energy: -2.940 local terms energy: -252.922544 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -46.740 flat angles C4'-P-C4' energy: -51.182 flat angles P-C4'-P energy: -42.432 tors. eta vs tors. theta energy: -53.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -601.865920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.865920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.865920 (E_RNA) where: Base-Base interactions energy: -397.680 where: short stacking energy: -196.850 Base-Backbone interact. energy: 3.588 local terms energy: -207.773684 where: bonds (distance) C4'-P energy: -36.100 bonds (distance) P-C4' energy: -55.396 flat angles C4'-P-C4' energy: -51.570 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: -33.294 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: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -572.660260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.660260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.660260 (E_RNA) where: Base-Base interactions energy: -358.595 where: short stacking energy: -171.748 Base-Backbone interact. energy: 2.216 local terms energy: -216.281372 where: bonds (distance) C4'-P energy: -57.830 bonds (distance) P-C4' energy: -53.613 flat angles C4'-P-C4' energy: -46.173 flat angles P-C4'-P energy: -25.025 tors. eta vs tors. theta energy: -33.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -415.927287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.927287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.927287 (E_RNA) where: Base-Base interactions energy: -233.550 where: short stacking energy: -114.467 Base-Backbone interact. energy: -1.264 local terms energy: -181.112751 where: bonds (distance) C4'-P energy: -40.852 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -42.612 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -6.523 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: 117 Temperature: 1.350000 Total energy: -259.417256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.417256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.417256 (E_RNA) where: Base-Base interactions energy: -116.163 where: short stacking energy: -80.696 Base-Backbone interact. energy: -0.057 local terms energy: -143.196940 where: bonds (distance) C4'-P energy: -49.306 bonds (distance) P-C4' energy: -41.002 flat angles C4'-P-C4' energy: -45.147 flat angles P-C4'-P energy: -20.073 tors. eta vs tors. theta energy: 12.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1059.500297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.500297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.500297 (E_RNA) where: Base-Base interactions energy: -730.253 where: short stacking energy: -321.672 Base-Backbone interact. energy: -1.542 local terms energy: -327.706067 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -60.594 flat angles C4'-P-C4' energy: -65.029 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: -86.472 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: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1003.076755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.076755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.076755 (E_RNA) where: Base-Base interactions energy: -689.142 where: short stacking energy: -292.996 Base-Backbone interact. energy: -2.211 local terms energy: -311.724178 where: bonds (distance) C4'-P energy: -57.656 bonds (distance) P-C4' energy: -60.741 flat angles C4'-P-C4' energy: -70.983 flat angles P-C4'-P energy: -35.969 tors. eta vs tors. theta energy: -86.375 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: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -945.472823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.472823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.472823 (E_RNA) where: Base-Base interactions energy: -645.113 where: short stacking energy: -285.503 Base-Backbone interact. energy: -3.240 local terms energy: -297.120131 where: bonds (distance) C4'-P energy: -47.597 bonds (distance) P-C4' energy: -61.727 flat angles C4'-P-C4' energy: -63.783 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -77.979 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: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -928.548502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.548502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.548502 (E_RNA) where: Base-Base interactions energy: -624.363 where: short stacking energy: -263.410 Base-Backbone interact. energy: -0.942 local terms energy: -303.243575 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -64.430 flat angles P-C4'-P energy: -46.059 tors. eta vs tors. theta energy: -74.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -861.235584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.235584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.235584 (E_RNA) where: Base-Base interactions energy: -576.365 where: short stacking energy: -256.481 Base-Backbone interact. energy: -0.398 local terms energy: -284.473382 where: bonds (distance) C4'-P energy: -51.952 bonds (distance) P-C4' energy: -55.268 flat angles C4'-P-C4' energy: -67.982 flat angles P-C4'-P energy: -34.307 tors. eta vs tors. theta energy: -74.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -715.752503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.752503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.752503 (E_RNA) where: Base-Base interactions energy: -473.305 where: short stacking energy: -209.771 Base-Backbone interact. energy: -0.336 local terms energy: -242.111509 where: bonds (distance) C4'-P energy: -51.387 bonds (distance) P-C4' energy: -50.150 flat angles C4'-P-C4' energy: -59.067 flat angles P-C4'-P energy: -28.169 tors. eta vs tors. theta energy: -53.338 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: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -581.994947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.994947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.994947 (E_RNA) where: Base-Base interactions energy: -378.218 where: short stacking energy: -164.714 Base-Backbone interact. energy: -1.221 local terms energy: -202.555845 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -54.454 flat angles C4'-P-C4' energy: -46.368 flat angles P-C4'-P energy: -20.544 tors. eta vs tors. theta energy: -24.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -621.834412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.834412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.834412 (E_RNA) where: Base-Base interactions energy: -416.247 where: short stacking energy: -169.499 Base-Backbone interact. energy: 2.562 local terms energy: -208.150049 where: bonds (distance) C4'-P energy: -43.313 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -37.379 flat angles P-C4'-P energy: -31.099 tors. eta vs tors. theta energy: -42.416 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: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -435.250089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.250089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.250089 (E_RNA) where: Base-Base interactions energy: -240.502 where: short stacking energy: -114.809 Base-Backbone interact. energy: -0.501 local terms energy: -194.247130 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -46.508 flat angles C4'-P-C4' energy: -45.693 flat angles P-C4'-P energy: -24.400 tors. eta vs tors. theta energy: -18.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -258.452269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.452269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.452269 (E_RNA) where: Base-Base interactions energy: -112.078 where: short stacking energy: -73.485 Base-Backbone interact. energy: 3.918 local terms energy: -150.292418 where: bonds (distance) C4'-P energy: -36.886 bonds (distance) P-C4' energy: -51.962 flat angles C4'-P-C4' energy: -36.513 flat angles P-C4'-P energy: -32.729 tors. eta vs tors. theta energy: 7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1061.012426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.012426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.012426 (E_RNA) where: Base-Base interactions energy: -758.634 where: short stacking energy: -319.442 Base-Backbone interact. energy: 4.800 local terms energy: -307.178613 where: bonds (distance) C4'-P energy: -57.628 bonds (distance) P-C4' energy: -45.146 flat angles C4'-P-C4' energy: -67.268 flat angles P-C4'-P energy: -53.245 tors. eta vs tors. theta energy: -83.891 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: 119 Temperature: 0.950000 Total energy: -993.639329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.639329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.639329 (E_RNA) where: Base-Base interactions energy: -672.764 where: short stacking energy: -285.672 Base-Backbone interact. energy: 0.427 local terms energy: -321.302744 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -46.160 tors. eta vs tors. theta energy: -88.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -940.795996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.795996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.795996 (E_RNA) where: Base-Base interactions energy: -644.302 where: short stacking energy: -280.152 Base-Backbone interact. energy: -2.660 local terms energy: -293.833876 where: bonds (distance) C4'-P energy: -55.625 bonds (distance) P-C4' energy: -55.542 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -45.028 tors. eta vs tors. theta energy: -73.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -925.900124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.900124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.900124 (E_RNA) where: Base-Base interactions energy: -632.799 where: short stacking energy: -267.947 Base-Backbone interact. energy: -1.235 local terms energy: -291.866112 where: bonds (distance) C4'-P energy: -53.263 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -57.865 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -68.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -835.978746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.978746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.978746 (E_RNA) where: Base-Base interactions energy: -541.514 where: short stacking energy: -245.171 Base-Backbone interact. energy: -0.673 local terms energy: -293.791313 where: bonds (distance) C4'-P energy: -58.363 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -46.962 tors. eta vs tors. theta energy: -66.544 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: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -738.313841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.313841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.313841 (E_RNA) where: Base-Base interactions energy: -491.458 where: short stacking energy: -218.046 Base-Backbone interact. energy: -0.003 local terms energy: -246.852841 where: bonds (distance) C4'-P energy: -47.763 bonds (distance) P-C4' energy: -58.714 flat angles C4'-P-C4' energy: -59.052 flat angles P-C4'-P energy: -27.989 tors. eta vs tors. theta energy: -53.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -625.368140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.368140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.368140 (E_RNA) where: Base-Base interactions energy: -387.408 where: short stacking energy: -188.772 Base-Backbone interact. energy: -1.423 local terms energy: -236.537503 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -45.526 flat angles C4'-P-C4' energy: -53.428 flat angles P-C4'-P energy: -28.901 tors. eta vs tors. theta energy: -47.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -649.887125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.887125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.887125 (E_RNA) where: Base-Base interactions energy: -430.076 where: short stacking energy: -177.391 Base-Backbone interact. energy: -0.054 local terms energy: -219.756254 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -42.961 flat angles C4'-P-C4' energy: -44.201 flat angles P-C4'-P energy: -41.581 tors. eta vs tors. theta energy: -37.466 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: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -448.326157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.326157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.326157 (E_RNA) where: Base-Base interactions energy: -246.910 where: short stacking energy: -114.981 Base-Backbone interact. energy: 0.939 local terms energy: -202.355703 where: bonds (distance) C4'-P energy: -52.381 bonds (distance) P-C4' energy: -53.383 flat angles C4'-P-C4' energy: -46.683 flat angles P-C4'-P energy: -32.147 tors. eta vs tors. theta energy: -17.762 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: 119 Temperature: 1.350000 Total energy: -255.144082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.144082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.144082 (E_RNA) where: Base-Base interactions energy: -105.031 where: short stacking energy: -92.955 Base-Backbone interact. energy: 2.744 local terms energy: -152.857657 where: bonds (distance) C4'-P energy: -46.940 bonds (distance) P-C4' energy: -48.778 flat angles C4'-P-C4' energy: -41.888 flat angles P-C4'-P energy: -14.249 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1042.814179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.814179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.814179 (E_RNA) where: Base-Base interactions energy: -721.278 where: short stacking energy: -309.472 Base-Backbone interact. energy: -1.260 local terms energy: -320.275900 where: bonds (distance) C4'-P energy: -67.400 bonds (distance) P-C4' energy: -57.033 flat angles C4'-P-C4' energy: -66.952 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -87.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -982.450699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.450699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.450699 (E_RNA) where: Base-Base interactions energy: -676.171 where: short stacking energy: -287.103 Base-Backbone interact. energy: -1.344 local terms energy: -304.936498 where: bonds (distance) C4'-P energy: -63.350 bonds (distance) P-C4' energy: -48.674 flat angles C4'-P-C4' energy: -60.943 flat angles P-C4'-P energy: -42.791 tors. eta vs tors. theta energy: -89.179 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: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -945.664076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.664076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.664076 (E_RNA) where: Base-Base interactions energy: -663.586 where: short stacking energy: -294.349 Base-Backbone interact. energy: -4.364 local terms energy: -277.713807 where: bonds (distance) C4'-P energy: -46.770 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -61.579 flat angles P-C4'-P energy: -31.890 tors. eta vs tors. theta energy: -80.779 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: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -921.464923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.464923 (E_RNA) where: Base-Base interactions energy: -630.199 where: short stacking energy: -274.028 Base-Backbone interact. energy: -1.003 local terms energy: -290.263174 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -55.278 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -39.495 tors. eta vs tors. theta energy: -77.621 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: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -850.225242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.225242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.225242 (E_RNA) where: Base-Base interactions energy: -578.194 where: short stacking energy: -271.518 Base-Backbone interact. energy: 0.017 local terms energy: -272.047941 where: bonds (distance) C4'-P energy: -51.696 bonds (distance) P-C4' energy: -51.771 flat angles C4'-P-C4' energy: -58.260 flat angles P-C4'-P energy: -31.236 tors. eta vs tors. theta energy: -79.085 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: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -790.070167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.070167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.070167 (E_RNA) where: Base-Base interactions energy: -532.461 where: short stacking energy: -253.428 Base-Backbone interact. energy: -0.926 local terms energy: -256.682346 where: bonds (distance) C4'-P energy: -51.571 bonds (distance) P-C4' energy: -56.861 flat angles C4'-P-C4' energy: -51.329 flat angles P-C4'-P energy: -34.677 tors. eta vs tors. theta energy: -62.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -671.921037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.921037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.921037 (E_RNA) where: Base-Base interactions energy: -443.780 where: short stacking energy: -194.375 Base-Backbone interact. energy: -3.374 local terms energy: -224.766793 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -48.283 flat angles C4'-P-C4' energy: -54.859 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: -45.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -569.334988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.334988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.334988 (E_RNA) where: Base-Base interactions energy: -351.922 where: short stacking energy: -171.917 Base-Backbone interact. energy: -0.892 local terms energy: -216.520242 where: bonds (distance) C4'-P energy: -51.375 bonds (distance) P-C4' energy: -46.992 flat angles C4'-P-C4' energy: -55.153 flat angles P-C4'-P energy: -37.998 tors. eta vs tors. theta energy: -25.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -428.403617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.403617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.403617 (E_RNA) where: Base-Base interactions energy: -252.081 where: short stacking energy: -135.740 Base-Backbone interact. energy: -0.479 local terms energy: -175.843309 where: bonds (distance) C4'-P energy: -51.127 bonds (distance) P-C4' energy: -50.455 flat angles C4'-P-C4' energy: -47.577 flat angles P-C4'-P energy: -14.161 tors. eta vs tors. theta energy: -12.523 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: 120 Temperature: 1.350000 Total energy: -256.477611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.477611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.477611 (E_RNA) where: Base-Base interactions energy: -101.204 where: short stacking energy: -88.301 Base-Backbone interact. energy: -0.648 local terms energy: -154.625049 where: bonds (distance) C4'-P energy: -42.807 bonds (distance) P-C4' energy: -51.243 flat angles C4'-P-C4' energy: -39.508 flat angles P-C4'-P energy: -24.846 tors. eta vs tors. theta energy: 3.779 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: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1042.843761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.843761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.843761 (E_RNA) where: Base-Base interactions energy: -741.465 where: short stacking energy: -317.720 Base-Backbone interact. energy: -0.708 local terms energy: -300.670352 where: bonds (distance) C4'-P energy: -55.912 bonds (distance) P-C4' energy: -57.417 flat angles C4'-P-C4' energy: -60.602 flat angles P-C4'-P energy: -34.334 tors. eta vs tors. theta energy: -92.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -959.960170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.960170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.960170 (E_RNA) where: Base-Base interactions energy: -675.984 where: short stacking energy: -282.373 Base-Backbone interact. energy: -0.659 local terms energy: -283.316817 where: bonds (distance) C4'-P energy: -40.532 bonds (distance) P-C4' energy: -54.532 flat angles C4'-P-C4' energy: -64.568 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -72.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -951.852520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.852520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.852520 (E_RNA) where: Base-Base interactions energy: -660.461 where: short stacking energy: -286.618 Base-Backbone interact. energy: -1.695 local terms energy: -289.696904 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -57.337 flat angles C4'-P-C4' energy: -65.486 flat angles P-C4'-P energy: -44.281 tors. eta vs tors. theta energy: -72.767 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: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -887.687840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.687840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.687840 (E_RNA) where: Base-Base interactions energy: -601.680 where: short stacking energy: -253.488 Base-Backbone interact. energy: -0.984 local terms energy: -285.023659 where: bonds (distance) C4'-P energy: -60.040 bonds (distance) P-C4' energy: -50.240 flat angles C4'-P-C4' energy: -63.341 flat angles P-C4'-P energy: -44.473 tors. eta vs tors. theta energy: -66.929 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: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -826.221972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.221972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.221972 (E_RNA) where: Base-Base interactions energy: -554.126 where: short stacking energy: -253.271 Base-Backbone interact. energy: -1.133 local terms energy: -270.962252 where: bonds (distance) C4'-P energy: -57.352 bonds (distance) P-C4' energy: -50.113 flat angles C4'-P-C4' energy: -51.824 flat angles P-C4'-P energy: -37.633 tors. eta vs tors. theta energy: -74.041 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: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -793.083767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.083767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.083767 (E_RNA) where: Base-Base interactions energy: -527.073 where: short stacking energy: -235.262 Base-Backbone interact. energy: 0.254 local terms energy: -266.264606 where: bonds (distance) C4'-P energy: -58.253 bonds (distance) P-C4' energy: -50.996 flat angles C4'-P-C4' energy: -61.923 flat angles P-C4'-P energy: -30.457 tors. eta vs tors. theta energy: -64.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -687.715597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.715597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.715597 (E_RNA) where: Base-Base interactions energy: -454.601 where: short stacking energy: -220.307 Base-Backbone interact. energy: -2.537 local terms energy: -230.577477 where: bonds (distance) C4'-P energy: -48.968 bonds (distance) P-C4' energy: -53.680 flat angles C4'-P-C4' energy: -47.547 flat angles P-C4'-P energy: -33.546 tors. eta vs tors. theta energy: -46.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -558.919835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.919835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.919835 (E_RNA) where: Base-Base interactions energy: -353.132 where: short stacking energy: -153.068 Base-Backbone interact. energy: 3.412 local terms energy: -209.199160 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -49.835 flat angles C4'-P-C4' energy: -55.295 flat angles P-C4'-P energy: -32.230 tors. eta vs tors. theta energy: -19.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -436.129875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.129875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.129875 (E_RNA) where: Base-Base interactions energy: -242.143 where: short stacking energy: -121.429 Base-Backbone interact. energy: -0.741 local terms energy: -193.245896 where: bonds (distance) C4'-P energy: -45.916 bonds (distance) P-C4' energy: -52.027 flat angles C4'-P-C4' energy: -47.789 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -12.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -262.763671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.763671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.763671 (E_RNA) where: Base-Base interactions energy: -117.377 where: short stacking energy: -92.352 Base-Backbone interact. energy: 1.193 local terms energy: -146.579184 where: bonds (distance) C4'-P energy: -28.775 bonds (distance) P-C4' energy: -53.320 flat angles C4'-P-C4' energy: -38.072 flat angles P-C4'-P energy: -22.132 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1053.081618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.081618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.081618 (E_RNA) where: Base-Base interactions energy: -744.496 where: short stacking energy: -305.840 Base-Backbone interact. energy: -1.006 local terms energy: -307.580526 where: bonds (distance) C4'-P energy: -50.257 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -70.753 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -91.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -981.706806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.706806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.706806 (E_RNA) where: Base-Base interactions energy: -689.672 where: short stacking energy: -301.598 Base-Backbone interact. energy: -1.533 local terms energy: -290.502354 where: bonds (distance) C4'-P energy: -62.982 bonds (distance) P-C4' energy: -55.634 flat angles C4'-P-C4' energy: -55.181 flat angles P-C4'-P energy: -34.848 tors. eta vs tors. theta energy: -81.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -960.458194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.458194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.458194 (E_RNA) where: Base-Base interactions energy: -652.133 where: short stacking energy: -284.153 Base-Backbone interact. energy: -1.229 local terms energy: -307.096439 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -55.211 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: -85.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -888.587935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.587935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.587935 (E_RNA) where: Base-Base interactions energy: -614.025 where: short stacking energy: -263.895 Base-Backbone interact. energy: -0.603 local terms energy: -273.959705 where: bonds (distance) C4'-P energy: -56.423 bonds (distance) P-C4' energy: -46.926 flat angles C4'-P-C4' energy: -59.296 flat angles P-C4'-P energy: -42.978 tors. eta vs tors. theta energy: -68.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -852.963998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.963998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.963998 (E_RNA) where: Base-Base interactions energy: -589.978 where: short stacking energy: -249.401 Base-Backbone interact. energy: 1.169 local terms energy: -264.154894 where: bonds (distance) C4'-P energy: -52.895 bonds (distance) P-C4' energy: -50.600 flat angles C4'-P-C4' energy: -53.669 flat angles P-C4'-P energy: -36.464 tors. eta vs tors. theta energy: -70.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -735.163577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.163577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.163577 (E_RNA) where: Base-Base interactions energy: -483.698 where: short stacking energy: -225.236 Base-Backbone interact. energy: -0.749 local terms energy: -250.716723 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -48.198 flat angles C4'-P-C4' energy: -53.751 flat angles P-C4'-P energy: -28.968 tors. eta vs tors. theta energy: -57.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -696.418957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.418957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.418957 (E_RNA) where: Base-Base interactions energy: -459.075 where: short stacking energy: -193.281 Base-Backbone interact. energy: -0.035 local terms energy: -237.308889 where: bonds (distance) C4'-P energy: -49.306 bonds (distance) P-C4' energy: -53.345 flat angles C4'-P-C4' energy: -54.861 flat angles P-C4'-P energy: -32.339 tors. eta vs tors. theta energy: -47.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -553.019981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.019981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.019981 (E_RNA) where: Base-Base interactions energy: -336.023 where: short stacking energy: -160.079 Base-Backbone interact. energy: -1.273 local terms energy: -215.724560 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -59.130 flat angles C4'-P-C4' energy: -40.897 flat angles P-C4'-P energy: -28.639 tors. eta vs tors. theta energy: -25.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -416.667979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.667979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.667979 (E_RNA) where: Base-Base interactions energy: -253.142 where: short stacking energy: -119.764 Base-Backbone interact. energy: -2.080 local terms energy: -161.446379 where: bonds (distance) C4'-P energy: -49.979 bonds (distance) P-C4' energy: -38.918 flat angles C4'-P-C4' energy: -35.848 flat angles P-C4'-P energy: -23.574 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -277.314478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.314478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.314478 (E_RNA) where: Base-Base interactions energy: -110.178 where: short stacking energy: -85.290 Base-Backbone interact. energy: -1.645 local terms energy: -165.491885 where: bonds (distance) C4'-P energy: -43.662 bonds (distance) P-C4' energy: -48.817 flat angles C4'-P-C4' energy: -41.231 flat angles P-C4'-P energy: -33.214 tors. eta vs tors. theta energy: 1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1057.920364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.920364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.920364 (E_RNA) where: Base-Base interactions energy: -736.890 where: short stacking energy: -323.109 Base-Backbone interact. energy: -1.050 local terms energy: -319.980308 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -59.199 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -39.034 tors. eta vs tors. theta energy: -89.998 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: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -978.370339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.370339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.370339 (E_RNA) where: Base-Base interactions energy: -658.318 where: short stacking energy: -285.301 Base-Backbone interact. energy: 0.185 local terms energy: -320.237200 where: bonds (distance) C4'-P energy: -54.902 bonds (distance) P-C4' energy: -65.833 flat angles C4'-P-C4' energy: -67.911 flat angles P-C4'-P energy: -48.200 tors. eta vs tors. theta energy: -83.390 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: 123 Temperature: 1.000000 Total energy: -958.758718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.758718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.758718 (E_RNA) where: Base-Base interactions energy: -668.877 where: short stacking energy: -284.572 Base-Backbone interact. energy: -0.811 local terms energy: -289.071192 where: bonds (distance) C4'-P energy: -55.267 bonds (distance) P-C4' energy: -43.440 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: -85.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -908.067595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.067595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.067595 (E_RNA) where: Base-Base interactions energy: -621.537 where: short stacking energy: -263.154 Base-Backbone interact. energy: -3.134 local terms energy: -283.397043 where: bonds (distance) C4'-P energy: -48.812 bonds (distance) P-C4' energy: -53.420 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -75.508 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: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -837.447256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.447256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.447256 (E_RNA) where: Base-Base interactions energy: -551.246 where: short stacking energy: -246.910 Base-Backbone interact. energy: -1.287 local terms energy: -284.914278 where: bonds (distance) C4'-P energy: -60.883 bonds (distance) P-C4' energy: -55.107 flat angles C4'-P-C4' energy: -60.015 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: -70.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -728.134674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.134674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.134674 (E_RNA) where: Base-Base interactions energy: -481.973 where: short stacking energy: -204.661 Base-Backbone interact. energy: -1.702 local terms energy: -244.460167 where: bonds (distance) C4'-P energy: -46.473 bonds (distance) P-C4' energy: -54.847 flat angles C4'-P-C4' energy: -53.489 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -46.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -706.169892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.169892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.169892 (E_RNA) where: Base-Base interactions energy: -481.394 where: short stacking energy: -202.481 Base-Backbone interact. energy: -0.747 local terms energy: -224.028805 where: bonds (distance) C4'-P energy: -49.992 bonds (distance) P-C4' energy: -51.810 flat angles C4'-P-C4' energy: -49.227 flat angles P-C4'-P energy: -24.893 tors. eta vs tors. theta energy: -48.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -566.314413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.314413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.314413 (E_RNA) where: Base-Base interactions energy: -351.517 where: short stacking energy: -165.768 Base-Backbone interact. energy: 0.058 local terms energy: -214.855146 where: bonds (distance) C4'-P energy: -42.840 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -53.783 flat angles P-C4'-P energy: -26.968 tors. eta vs tors. theta energy: -27.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -457.305382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.305382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.305382 (E_RNA) where: Base-Base interactions energy: -243.937 where: short stacking energy: -156.016 Base-Backbone interact. energy: 0.278 local terms energy: -213.646393 where: bonds (distance) C4'-P energy: -53.452 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -45.575 flat angles P-C4'-P energy: -25.417 tors. eta vs tors. theta energy: -27.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -270.046085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.046085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.046085 (E_RNA) where: Base-Base interactions energy: -111.316 where: short stacking energy: -61.780 Base-Backbone interact. energy: -0.745 local terms energy: -157.985019 where: bonds (distance) C4'-P energy: -42.099 bonds (distance) P-C4' energy: -58.624 flat angles C4'-P-C4' energy: -48.766 flat angles P-C4'-P energy: -22.024 tors. eta vs tors. theta energy: 13.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1059.735474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.735474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.735474 (E_RNA) where: Base-Base interactions energy: -738.657 where: short stacking energy: -312.055 Base-Backbone interact. energy: -0.129 local terms energy: -320.949714 where: bonds (distance) C4'-P energy: -64.780 bonds (distance) P-C4' energy: -62.189 flat angles C4'-P-C4' energy: -60.920 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -85.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -977.398386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.398386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.398386 (E_RNA) where: Base-Base interactions energy: -675.334 where: short stacking energy: -290.286 Base-Backbone interact. energy: -1.285 local terms energy: -300.778726 where: bonds (distance) C4'-P energy: -57.588 bonds (distance) P-C4' energy: -57.585 flat angles C4'-P-C4' energy: -64.863 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -81.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -940.996234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.996234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.996234 (E_RNA) where: Base-Base interactions energy: -637.042 where: short stacking energy: -265.798 Base-Backbone interact. energy: 0.306 local terms energy: -304.259747 where: bonds (distance) C4'-P energy: -58.478 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -69.171 flat angles P-C4'-P energy: -45.141 tors. eta vs tors. theta energy: -68.770 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: 4, replica: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -888.257013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.257013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.257013 (E_RNA) where: Base-Base interactions energy: -592.878 where: short stacking energy: -252.554 Base-Backbone interact. energy: -1.206 local terms energy: -294.173405 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -65.223 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -35.778 tors. eta vs tors. theta energy: -66.564 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: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -822.269281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.269281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.269281 (E_RNA) where: Base-Base interactions energy: -565.072 where: short stacking energy: -229.642 Base-Backbone interact. energy: -2.409 local terms energy: -254.787998 where: bonds (distance) C4'-P energy: -51.865 bonds (distance) P-C4' energy: -47.589 flat angles C4'-P-C4' energy: -55.684 flat angles P-C4'-P energy: -36.465 tors. eta vs tors. theta energy: -63.184 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: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -706.710153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.710153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.710153 (E_RNA) where: Base-Base interactions energy: -479.772 where: short stacking energy: -214.881 Base-Backbone interact. energy: -0.358 local terms energy: -226.581103 where: bonds (distance) C4'-P energy: -52.960 bonds (distance) P-C4' energy: -45.540 flat angles C4'-P-C4' energy: -54.529 flat angles P-C4'-P energy: -28.379 tors. eta vs tors. theta energy: -45.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -746.381942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.381942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.381942 (E_RNA) where: Base-Base interactions energy: -499.601 where: short stacking energy: -204.616 Base-Backbone interact. energy: -3.176 local terms energy: -243.605355 where: bonds (distance) C4'-P energy: -57.597 bonds (distance) P-C4' energy: -52.577 flat angles C4'-P-C4' energy: -54.085 flat angles P-C4'-P energy: -39.524 tors. eta vs tors. theta energy: -39.822 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: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -577.441666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.441666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.441666 (E_RNA) where: Base-Base interactions energy: -360.900 where: short stacking energy: -172.592 Base-Backbone interact. energy: -0.522 local terms energy: -216.019084 where: bonds (distance) C4'-P energy: -53.058 bonds (distance) P-C4' energy: -45.456 flat angles C4'-P-C4' energy: -53.372 flat angles P-C4'-P energy: -33.355 tors. eta vs tors. theta energy: -30.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -447.047819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.047819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.047819 (E_RNA) where: Base-Base interactions energy: -260.560 where: short stacking energy: -131.111 Base-Backbone interact. energy: -1.545 local terms energy: -184.943191 where: bonds (distance) C4'-P energy: -52.289 bonds (distance) P-C4' energy: -45.573 flat angles C4'-P-C4' energy: -41.551 flat angles P-C4'-P energy: -29.588 tors. eta vs tors. theta energy: -15.942 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: 124 Temperature: 1.350000 Total energy: -297.156966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.156966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.156966 (E_RNA) where: Base-Base interactions energy: -142.496 where: short stacking energy: -95.678 Base-Backbone interact. energy: 4.705 local terms energy: -159.366561 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -45.456 flat angles C4'-P-C4' energy: -37.543 flat angles P-C4'-P energy: -12.077 tors. eta vs tors. theta energy: -11.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1057.628680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.628680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.628680 (E_RNA) where: Base-Base interactions energy: -751.944 where: short stacking energy: -317.339 Base-Backbone interact. energy: -1.339 local terms energy: -304.345642 where: bonds (distance) C4'-P energy: -60.401 bonds (distance) P-C4' energy: -48.116 flat angles C4'-P-C4' energy: -66.938 flat angles P-C4'-P energy: -43.801 tors. eta vs tors. theta energy: -85.091 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: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -977.312611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.312611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.312611 (E_RNA) where: Base-Base interactions energy: -656.457 where: short stacking energy: -304.933 Base-Backbone interact. energy: 1.066 local terms energy: -321.921678 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -61.721 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -85.772 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: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -922.288475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.288475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.288475 (E_RNA) where: Base-Base interactions energy: -630.835 where: short stacking energy: -282.924 Base-Backbone interact. energy: -2.117 local terms energy: -289.336786 where: bonds (distance) C4'-P energy: -50.941 bonds (distance) P-C4' energy: -44.301 flat angles C4'-P-C4' energy: -68.649 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: -81.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -896.217324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.217324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.217324 (E_RNA) where: Base-Base interactions energy: -607.858 where: short stacking energy: -262.453 Base-Backbone interact. energy: -1.246 local terms energy: -287.112653 where: bonds (distance) C4'-P energy: -54.833 bonds (distance) P-C4' energy: -55.391 flat angles C4'-P-C4' energy: -59.302 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -73.754 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: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -810.512882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.512882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.512882 (E_RNA) where: Base-Base interactions energy: -538.185 where: short stacking energy: -231.695 Base-Backbone interact. energy: -2.187 local terms energy: -270.140483 where: bonds (distance) C4'-P energy: -50.641 bonds (distance) P-C4' energy: -56.481 flat angles C4'-P-C4' energy: -57.766 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -64.036 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: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -708.972997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.972997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.972997 (E_RNA) where: Base-Base interactions energy: -451.242 where: short stacking energy: -227.823 Base-Backbone interact. energy: -0.112 local terms energy: -257.619204 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -58.922 flat angles C4'-P-C4' energy: -56.233 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -49.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -729.025661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.025661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.025661 (E_RNA) where: Base-Base interactions energy: -485.205 where: short stacking energy: -220.749 Base-Backbone interact. energy: 0.057 local terms energy: -243.877626 where: bonds (distance) C4'-P energy: -52.372 bonds (distance) P-C4' energy: -48.742 flat angles C4'-P-C4' energy: -50.212 flat angles P-C4'-P energy: -35.744 tors. eta vs tors. theta energy: -56.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -565.841200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.841200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.841200 (E_RNA) where: Base-Base interactions energy: -362.558 where: short stacking energy: -177.026 Base-Backbone interact. energy: -0.031 local terms energy: -203.252673 where: bonds (distance) C4'-P energy: -51.390 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -41.735 flat angles P-C4'-P energy: -20.532 tors. eta vs tors. theta energy: -31.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -402.024448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.024448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.024448 (E_RNA) where: Base-Base interactions energy: -202.192 where: short stacking energy: -123.577 Base-Backbone interact. energy: 4.200 local terms energy: -204.032178 where: bonds (distance) C4'-P energy: -58.682 bonds (distance) P-C4' energy: -53.862 flat angles C4'-P-C4' energy: -50.663 flat angles P-C4'-P energy: -34.611 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -339.215500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.215500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.215500 (E_RNA) where: Base-Base interactions energy: -168.104 where: short stacking energy: -91.463 Base-Backbone interact. energy: -1.592 local terms energy: -169.518957 where: bonds (distance) C4'-P energy: -44.677 bonds (distance) P-C4' energy: -55.944 flat angles C4'-P-C4' energy: -47.252 flat angles P-C4'-P energy: -25.433 tors. eta vs tors. theta energy: 3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1075.989943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.989943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.989943 (E_RNA) where: Base-Base interactions energy: -756.529 where: short stacking energy: -320.459 Base-Backbone interact. energy: 0.601 local terms energy: -320.062037 where: bonds (distance) C4'-P energy: -59.269 bonds (distance) P-C4' energy: -57.217 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -45.437 tors. eta vs tors. theta energy: -92.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -976.374618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.374618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.374618 (E_RNA) where: Base-Base interactions energy: -659.874 where: short stacking energy: -302.357 Base-Backbone interact. energy: -0.713 local terms energy: -315.788113 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -67.571 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -85.245 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: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -892.403879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.403879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.403879 (E_RNA) where: Base-Base interactions energy: -602.963 where: short stacking energy: -256.895 Base-Backbone interact. energy: -1.367 local terms energy: -288.074085 where: bonds (distance) C4'-P energy: -59.544 bonds (distance) P-C4' energy: -65.068 flat angles C4'-P-C4' energy: -64.100 flat angles P-C4'-P energy: -31.073 tors. eta vs tors. theta energy: -68.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -900.306543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.306543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.306543 (E_RNA) where: Base-Base interactions energy: -628.419 where: short stacking energy: -284.867 Base-Backbone interact. energy: -1.656 local terms energy: -270.232077 where: bonds (distance) C4'-P energy: -42.085 bonds (distance) P-C4' energy: -47.960 flat angles C4'-P-C4' energy: -57.211 flat angles P-C4'-P energy: -37.698 tors. eta vs tors. theta energy: -85.277 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: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -817.924211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.924211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.924211 (E_RNA) where: Base-Base interactions energy: -540.696 where: short stacking energy: -272.332 Base-Backbone interact. energy: -0.959 local terms energy: -276.269245 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -56.317 flat angles C4'-P-C4' energy: -59.711 flat angles P-C4'-P energy: -37.725 tors. eta vs tors. theta energy: -67.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -719.894090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.894090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.894090 (E_RNA) where: Base-Base interactions energy: -461.551 where: short stacking energy: -214.734 Base-Backbone interact. energy: -0.376 local terms energy: -257.966795 where: bonds (distance) C4'-P energy: -54.245 bonds (distance) P-C4' energy: -48.668 flat angles C4'-P-C4' energy: -61.982 flat angles P-C4'-P energy: -36.298 tors. eta vs tors. theta energy: -56.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -733.178648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.178648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.178648 (E_RNA) where: Base-Base interactions energy: -487.270 where: short stacking energy: -214.805 Base-Backbone interact. energy: -1.332 local terms energy: -244.576652 where: bonds (distance) C4'-P energy: -48.774 bonds (distance) P-C4' energy: -51.503 flat angles C4'-P-C4' energy: -53.584 flat angles P-C4'-P energy: -40.360 tors. eta vs tors. theta energy: -50.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -565.222544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.222544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.222544 (E_RNA) where: Base-Base interactions energy: -362.753 where: short stacking energy: -163.590 Base-Backbone interact. energy: 3.030 local terms energy: -205.499297 where: bonds (distance) C4'-P energy: -45.564 bonds (distance) P-C4' energy: -47.743 flat angles C4'-P-C4' energy: -51.085 flat angles P-C4'-P energy: -31.430 tors. eta vs tors. theta energy: -29.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -351.912463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.912463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.912463 (E_RNA) where: Base-Base interactions energy: -190.075 where: short stacking energy: -111.579 Base-Backbone interact. energy: -0.826 local terms energy: -161.011719 where: bonds (distance) C4'-P energy: -44.221 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -31.711 flat angles P-C4'-P energy: -26.807 tors. eta vs tors. theta energy: -2.836 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -394.629621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.629621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.629621 (E_RNA) where: Base-Base interactions energy: -210.199 where: short stacking energy: -118.123 Base-Backbone interact. energy: 0.719 local terms energy: -185.150259 where: bonds (distance) C4'-P energy: -47.244 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -35.457 flat angles P-C4'-P energy: -25.939 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1061.046516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.046516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.046516 (E_RNA) where: Base-Base interactions energy: -745.392 where: short stacking energy: -318.661 Base-Backbone interact. energy: 0.890 local terms energy: -316.543809 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -53.742 flat angles C4'-P-C4' energy: -67.856 flat angles P-C4'-P energy: -41.659 tors. eta vs tors. theta energy: -92.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -961.989026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.989026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.989026 (E_RNA) where: Base-Base interactions energy: -657.001 where: short stacking energy: -272.189 Base-Backbone interact. energy: -0.833 local terms energy: -304.154589 where: bonds (distance) C4'-P energy: -55.796 bonds (distance) P-C4' energy: -68.039 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: -78.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -912.244768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.244768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.244768 (E_RNA) where: Base-Base interactions energy: -638.856 where: short stacking energy: -269.422 Base-Backbone interact. energy: -1.506 local terms energy: -271.882563 where: bonds (distance) C4'-P energy: -60.468 bonds (distance) P-C4' energy: -40.962 flat angles C4'-P-C4' energy: -58.772 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: -68.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -888.924793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.924793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.924793 (E_RNA) where: Base-Base interactions energy: -612.860 where: short stacking energy: -268.319 Base-Backbone interact. energy: -1.884 local terms energy: -274.180994 where: bonds (distance) C4'-P energy: -45.925 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -55.013 flat angles P-C4'-P energy: -34.875 tors. eta vs tors. theta energy: -80.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -813.106285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.106285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.106285 (E_RNA) where: Base-Base interactions energy: -547.392 where: short stacking energy: -268.341 Base-Backbone interact. energy: -1.073 local terms energy: -264.640951 where: bonds (distance) C4'-P energy: -49.004 bonds (distance) P-C4' energy: -57.531 flat angles C4'-P-C4' energy: -49.086 flat angles P-C4'-P energy: -35.364 tors. eta vs tors. theta energy: -73.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -740.547893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.547893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.547893 (E_RNA) where: Base-Base interactions energy: -467.984 where: short stacking energy: -228.885 Base-Backbone interact. energy: -1.601 local terms energy: -270.962135 where: bonds (distance) C4'-P energy: -47.192 bonds (distance) P-C4' energy: -62.024 flat angles C4'-P-C4' energy: -62.451 flat angles P-C4'-P energy: -39.588 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: 7, replica: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -686.547643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.547643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.547643 (E_RNA) where: Base-Base interactions energy: -460.032 where: short stacking energy: -200.357 Base-Backbone interact. energy: -1.465 local terms energy: -225.050687 where: bonds (distance) C4'-P energy: -36.242 bonds (distance) P-C4' energy: -55.478 flat angles C4'-P-C4' energy: -45.774 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -49.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -531.189907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.189907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.189907 (E_RNA) where: Base-Base interactions energy: -314.776 where: short stacking energy: -129.700 Base-Backbone interact. energy: -1.239 local terms energy: -215.174935 where: bonds (distance) C4'-P energy: -56.976 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -55.653 flat angles P-C4'-P energy: -36.324 tors. eta vs tors. theta energy: -9.189 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: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -335.053907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.053907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.053907 (E_RNA) where: Base-Base interactions energy: -154.465 where: short stacking energy: -107.367 Base-Backbone interact. energy: -1.142 local terms energy: -179.446573 where: bonds (distance) C4'-P energy: -55.205 bonds (distance) P-C4' energy: -42.741 flat angles C4'-P-C4' energy: -46.138 flat angles P-C4'-P energy: -21.652 tors. eta vs tors. theta energy: -13.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -399.651927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.651927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.651927 (E_RNA) where: Base-Base interactions energy: -212.049 where: short stacking energy: -106.234 Base-Backbone interact. energy: -0.551 local terms energy: -187.051431 where: bonds (distance) C4'-P energy: -51.952 bonds (distance) P-C4' energy: -58.057 flat angles C4'-P-C4' energy: -42.571 flat angles P-C4'-P energy: -27.625 tors. eta vs tors. theta energy: -6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1063.859467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.859467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.859467 (E_RNA) where: Base-Base interactions energy: -741.389 where: short stacking energy: -315.995 Base-Backbone interact. energy: -2.051 local terms energy: -320.419987 where: bonds (distance) C4'-P energy: -57.767 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -62.629 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -93.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -985.498922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.498922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.498922 (E_RNA) where: Base-Base interactions energy: -684.708 where: short stacking energy: -296.981 Base-Backbone interact. energy: -1.069 local terms energy: -299.721781 where: bonds (distance) C4'-P energy: -61.117 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -64.422 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -80.384 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: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -961.277686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.277686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.277686 (E_RNA) where: Base-Base interactions energy: -664.489 where: short stacking energy: -292.295 Base-Backbone interact. energy: -1.065 local terms energy: -295.723573 where: bonds (distance) C4'-P energy: -58.339 bonds (distance) P-C4' energy: -47.183 flat angles C4'-P-C4' energy: -65.478 flat angles P-C4'-P energy: -46.995 tors. eta vs tors. theta energy: -77.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -901.156892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.156892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.156892 (E_RNA) where: Base-Base interactions energy: -611.295 where: short stacking energy: -248.445 Base-Backbone interact. energy: -0.532 local terms energy: -289.329422 where: bonds (distance) C4'-P energy: -50.562 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -38.219 tors. eta vs tors. theta energy: -70.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -817.386990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.386990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.386990 (E_RNA) where: Base-Base interactions energy: -552.889 where: short stacking energy: -237.629 Base-Backbone interact. energy: -1.049 local terms energy: -263.448347 where: bonds (distance) C4'-P energy: -58.532 bonds (distance) P-C4' energy: -47.651 flat angles C4'-P-C4' energy: -62.129 flat angles P-C4'-P energy: -32.516 tors. eta vs tors. theta energy: -62.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -775.676275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.676275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.676275 (E_RNA) where: Base-Base interactions energy: -519.403 where: short stacking energy: -231.698 Base-Backbone interact. energy: -1.994 local terms energy: -254.279540 where: bonds (distance) C4'-P energy: -58.993 bonds (distance) P-C4' energy: -48.672 flat angles C4'-P-C4' energy: -56.473 flat angles P-C4'-P energy: -26.909 tors. eta vs tors. theta energy: -63.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -682.695091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.695091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.695091 (E_RNA) where: Base-Base interactions energy: -461.351 where: short stacking energy: -204.809 Base-Backbone interact. energy: -0.627 local terms energy: -220.716928 where: bonds (distance) C4'-P energy: -39.737 bonds (distance) P-C4' energy: -53.694 flat angles C4'-P-C4' energy: -52.077 flat angles P-C4'-P energy: -27.889 tors. eta vs tors. theta energy: -47.320 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: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -557.777729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.777729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.777729 (E_RNA) where: Base-Base interactions energy: -350.103 where: short stacking energy: -171.429 Base-Backbone interact. energy: 6.142 local terms energy: -213.816269 where: bonds (distance) C4'-P energy: -49.650 bonds (distance) P-C4' energy: -59.957 flat angles C4'-P-C4' energy: -42.478 flat angles P-C4'-P energy: -29.103 tors. eta vs tors. theta energy: -32.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -401.816584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.816584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.816584 (E_RNA) where: Base-Base interactions energy: -205.040 where: short stacking energy: -120.220 Base-Backbone interact. energy: -1.886 local terms energy: -194.890667 where: bonds (distance) C4'-P energy: -50.339 bonds (distance) P-C4' energy: -52.170 flat angles C4'-P-C4' energy: -52.133 flat angles P-C4'-P energy: -35.107 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -292.737904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.737904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.737904 (E_RNA) where: Base-Base interactions energy: -138.069 where: short stacking energy: -79.167 Base-Backbone interact. energy: 2.834 local terms energy: -157.502854 where: bonds (distance) C4'-P energy: -48.793 bonds (distance) P-C4' energy: -51.501 flat angles C4'-P-C4' energy: -43.306 flat angles P-C4'-P energy: -19.331 tors. eta vs tors. theta energy: 5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1061.891494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.891494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.891494 (E_RNA) where: Base-Base interactions energy: -740.835 where: short stacking energy: -333.589 Base-Backbone interact. energy: -1.560 local terms energy: -319.496537 where: bonds (distance) C4'-P energy: -53.306 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -64.538 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -91.163 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: 129 Temperature: 0.950000 Total energy: -974.798011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.798011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.798011 (E_RNA) where: Base-Base interactions energy: -673.049 where: short stacking energy: -289.565 Base-Backbone interact. energy: -1.330 local terms energy: -300.418771 where: bonds (distance) C4'-P energy: -55.110 bonds (distance) P-C4' energy: -60.243 flat angles C4'-P-C4' energy: -64.965 flat angles P-C4'-P energy: -39.300 tors. eta vs tors. theta energy: -80.801 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: 129 Temperature: 1.000000 Total energy: -938.125498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.125498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.125498 (E_RNA) where: Base-Base interactions energy: -643.169 where: short stacking energy: -268.643 Base-Backbone interact. energy: -1.469 local terms energy: -293.487752 where: bonds (distance) C4'-P energy: -57.403 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -61.484 flat angles P-C4'-P energy: -39.959 tors. eta vs tors. theta energy: -76.316 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: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -888.441573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.441573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.441573 (E_RNA) where: Base-Base interactions energy: -606.864 where: short stacking energy: -274.835 Base-Backbone interact. energy: -1.857 local terms energy: -279.720660 where: bonds (distance) C4'-P energy: -53.673 bonds (distance) P-C4' energy: -58.854 flat angles C4'-P-C4' energy: -59.905 flat angles P-C4'-P energy: -36.240 tors. eta vs tors. theta energy: -71.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -800.055838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.055838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.055838 (E_RNA) where: Base-Base interactions energy: -543.226 where: short stacking energy: -242.239 Base-Backbone interact. energy: -0.367 local terms energy: -256.463711 where: bonds (distance) C4'-P energy: -46.660 bonds (distance) P-C4' energy: -61.095 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -32.492 tors. eta vs tors. theta energy: -55.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -796.715730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.715730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.715730 (E_RNA) where: Base-Base interactions energy: -541.902 where: short stacking energy: -237.160 Base-Backbone interact. energy: 0.807 local terms energy: -255.621330 where: bonds (distance) C4'-P energy: -51.742 bonds (distance) P-C4' energy: -56.185 flat angles C4'-P-C4' energy: -56.147 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: -57.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -675.746657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.746657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.746657 (E_RNA) where: Base-Base interactions energy: -435.325 where: short stacking energy: -201.384 Base-Backbone interact. energy: 1.929 local terms energy: -242.350338 where: bonds (distance) C4'-P energy: -49.010 bonds (distance) P-C4' energy: -54.964 flat angles C4'-P-C4' energy: -53.545 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -45.721 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: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -537.985985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.985985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.985985 (E_RNA) where: Base-Base interactions energy: -342.894 where: short stacking energy: -156.960 Base-Backbone interact. energy: 1.633 local terms energy: -196.724987 where: bonds (distance) C4'-P energy: -49.572 bonds (distance) P-C4' energy: -60.495 flat angles C4'-P-C4' energy: -43.136 flat angles P-C4'-P energy: -23.053 tors. eta vs tors. theta energy: -20.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -472.671407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.671407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.671407 (E_RNA) where: Base-Base interactions energy: -276.151 where: short stacking energy: -136.035 Base-Backbone interact. energy: 1.594 local terms energy: -198.114051 where: bonds (distance) C4'-P energy: -47.241 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -45.192 flat angles P-C4'-P energy: -35.177 tors. eta vs tors. theta energy: -10.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -269.848999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.848999 (E_RNA) where: Base-Base interactions energy: -103.016 where: short stacking energy: -85.442 Base-Backbone interact. energy: -1.447 local terms energy: -165.385723 where: bonds (distance) C4'-P energy: -42.170 bonds (distance) P-C4' energy: -62.332 flat angles C4'-P-C4' energy: -28.068 flat angles P-C4'-P energy: -35.892 tors. eta vs tors. theta energy: 3.077 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: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1057.050847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.050847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.050847 (E_RNA) where: Base-Base interactions energy: -740.306 where: short stacking energy: -316.771 Base-Backbone interact. energy: -1.343 local terms energy: -315.402087 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -57.706 flat angles C4'-P-C4' energy: -59.242 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -91.448 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: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -974.567089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.567089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.567089 (E_RNA) where: Base-Base interactions energy: -681.157 where: short stacking energy: -304.588 Base-Backbone interact. energy: -2.155 local terms energy: -291.254441 where: bonds (distance) C4'-P energy: -51.894 bonds (distance) P-C4' energy: -51.193 flat angles C4'-P-C4' energy: -69.815 flat angles P-C4'-P energy: -32.914 tors. eta vs tors. theta energy: -85.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -942.946458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.946458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.946458 (E_RNA) where: Base-Base interactions energy: -646.001 where: short stacking energy: -281.708 Base-Backbone interact. energy: -1.264 local terms energy: -295.681973 where: bonds (distance) C4'-P energy: -46.795 bonds (distance) P-C4' energy: -60.681 flat angles C4'-P-C4' energy: -66.184 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: -80.463 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: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -889.658673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.658673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.658673 (E_RNA) where: Base-Base interactions energy: -600.677 where: short stacking energy: -278.311 Base-Backbone interact. energy: -1.800 local terms energy: -287.181411 where: bonds (distance) C4'-P energy: -47.559 bonds (distance) P-C4' energy: -61.180 flat angles C4'-P-C4' energy: -63.204 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: -72.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -843.955552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.955552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.955552 (E_RNA) where: Base-Base interactions energy: -594.629 where: short stacking energy: -238.244 Base-Backbone interact. energy: -1.087 local terms energy: -248.239135 where: bonds (distance) C4'-P energy: -42.799 bonds (distance) P-C4' energy: -50.703 flat angles C4'-P-C4' energy: -53.397 flat angles P-C4'-P energy: -41.738 tors. eta vs tors. theta energy: -59.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -795.801298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.801298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.801298 (E_RNA) where: Base-Base interactions energy: -553.691 where: short stacking energy: -218.479 Base-Backbone interact. energy: 0.553 local terms energy: -242.662897 where: bonds (distance) C4'-P energy: -48.585 bonds (distance) P-C4' energy: -48.838 flat angles C4'-P-C4' energy: -54.484 flat angles P-C4'-P energy: -40.681 tors. eta vs tors. theta energy: -50.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -717.037142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.037142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.037142 (E_RNA) where: Base-Base interactions energy: -470.853 where: short stacking energy: -195.636 Base-Backbone interact. energy: -1.157 local terms energy: -245.026771 where: bonds (distance) C4'-P energy: -44.627 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -55.105 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: -51.546 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: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -545.668971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.668971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.668971 (E_RNA) where: Base-Base interactions energy: -341.839 where: short stacking energy: -158.478 Base-Backbone interact. energy: -1.765 local terms energy: -202.064420 where: bonds (distance) C4'-P energy: -36.142 bonds (distance) P-C4' energy: -54.879 flat angles C4'-P-C4' energy: -53.552 flat angles P-C4'-P energy: -30.343 tors. eta vs tors. theta energy: -27.148 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: 130 Temperature: 1.300000 Total energy: -438.988292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.988292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.988292 (E_RNA) where: Base-Base interactions energy: -249.553 where: short stacking energy: -133.879 Base-Backbone interact. energy: 0.141 local terms energy: -189.576315 where: bonds (distance) C4'-P energy: -52.337 bonds (distance) P-C4' energy: -46.715 flat angles C4'-P-C4' energy: -41.957 flat angles P-C4'-P energy: -25.677 tors. eta vs tors. theta energy: -22.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -253.545105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.545105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.545105 (E_RNA) where: Base-Base interactions energy: -83.985 where: short stacking energy: -70.479 Base-Backbone interact. energy: -0.619 local terms energy: -168.941004 where: bonds (distance) C4'-P energy: -44.862 bonds (distance) P-C4' energy: -58.973 flat angles C4'-P-C4' energy: -39.077 flat angles P-C4'-P energy: -32.596 tors. eta vs tors. theta energy: 6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1054.592598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.592598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.592598 (E_RNA) where: Base-Base interactions energy: -731.402 where: short stacking energy: -303.250 Base-Backbone interact. energy: -1.090 local terms energy: -322.100955 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -59.032 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -52.363 tors. eta vs tors. theta energy: -85.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -985.055359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.055359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.055359 (E_RNA) where: Base-Base interactions energy: -702.552 where: short stacking energy: -294.316 Base-Backbone interact. energy: -0.142 local terms energy: -282.361169 where: bonds (distance) C4'-P energy: -47.458 bonds (distance) P-C4' energy: -50.452 flat angles C4'-P-C4' energy: -60.958 flat angles P-C4'-P energy: -38.955 tors. eta vs tors. theta energy: -84.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -953.135300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.135300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.135300 (E_RNA) where: Base-Base interactions energy: -662.017 where: short stacking energy: -294.550 Base-Backbone interact. energy: -1.978 local terms energy: -289.139678 where: bonds (distance) C4'-P energy: -55.686 bonds (distance) P-C4' energy: -46.406 flat angles C4'-P-C4' energy: -61.123 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -78.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -890.491704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.491704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.491704 (E_RNA) where: Base-Base interactions energy: -617.670 where: short stacking energy: -293.780 Base-Backbone interact. energy: 0.620 local terms energy: -273.441416 where: bonds (distance) C4'-P energy: -46.604 bonds (distance) P-C4' energy: -62.102 flat angles C4'-P-C4' energy: -61.442 flat angles P-C4'-P energy: -34.902 tors. eta vs tors. theta energy: -68.392 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: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -842.618728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.618728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.618728 (E_RNA) where: Base-Base interactions energy: -572.237 where: short stacking energy: -239.196 Base-Backbone interact. energy: -1.683 local terms energy: -268.699157 where: bonds (distance) C4'-P energy: -56.776 bonds (distance) P-C4' energy: -47.539 flat angles C4'-P-C4' energy: -65.854 flat angles P-C4'-P energy: -32.924 tors. eta vs tors. theta energy: -65.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -734.754976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.754976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.754976 (E_RNA) where: Base-Base interactions energy: -493.089 where: short stacking energy: -219.842 Base-Backbone interact. energy: 0.698 local terms energy: -242.364832 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -47.628 flat angles C4'-P-C4' energy: -43.577 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -56.186 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -786.511519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.511519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.511519 (E_RNA) where: Base-Base interactions energy: -544.542 where: short stacking energy: -215.817 Base-Backbone interact. energy: 1.725 local terms energy: -243.693914 where: bonds (distance) C4'-P energy: -39.578 bonds (distance) P-C4' energy: -56.127 flat angles C4'-P-C4' energy: -54.454 flat angles P-C4'-P energy: -30.881 tors. eta vs tors. theta energy: -62.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -548.332228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.332228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.332228 (E_RNA) where: Base-Base interactions energy: -346.486 where: short stacking energy: -156.273 Base-Backbone interact. energy: 0.783 local terms energy: -202.628969 where: bonds (distance) C4'-P energy: -63.160 bonds (distance) P-C4' energy: -40.755 flat angles C4'-P-C4' energy: -51.583 flat angles P-C4'-P energy: -32.519 tors. eta vs tors. theta energy: -14.613 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: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -445.590979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.590979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.590979 (E_RNA) where: Base-Base interactions energy: -232.344 where: short stacking energy: -119.740 Base-Backbone interact. energy: 0.087 local terms energy: -213.334167 where: bonds (distance) C4'-P energy: -61.888 bonds (distance) P-C4' energy: -56.721 flat angles C4'-P-C4' energy: -42.770 flat angles P-C4'-P energy: -36.158 tors. eta vs tors. theta energy: -15.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -301.723502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.723502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.723502 (E_RNA) where: Base-Base interactions energy: -143.110 where: short stacking energy: -88.044 Base-Backbone interact. energy: 1.398 local terms energy: -160.011576 where: bonds (distance) C4'-P energy: -44.906 bonds (distance) P-C4' energy: -51.305 flat angles C4'-P-C4' energy: -41.988 flat angles P-C4'-P energy: -30.276 tors. eta vs tors. theta energy: 8.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1057.906425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.906425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.906425 (E_RNA) where: Base-Base interactions energy: -745.349 where: short stacking energy: -310.900 Base-Backbone interact. energy: 0.961 local terms energy: -313.517947 where: bonds (distance) C4'-P energy: -63.339 bonds (distance) P-C4' energy: -56.142 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -44.273 tors. eta vs tors. theta energy: -86.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -965.062668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.062668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.062668 (E_RNA) where: Base-Base interactions energy: -662.507 where: short stacking energy: -296.425 Base-Backbone interact. energy: -1.694 local terms energy: -300.861109 where: bonds (distance) C4'-P energy: -51.012 bonds (distance) P-C4' energy: -66.011 flat angles C4'-P-C4' energy: -67.600 flat angles P-C4'-P energy: -35.902 tors. eta vs tors. theta energy: -80.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -998.762490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.762490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.762490 (E_RNA) where: Base-Base interactions energy: -694.098 where: short stacking energy: -287.866 Base-Backbone interact. energy: -1.539 local terms energy: -303.124802 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -58.521 flat angles C4'-P-C4' energy: -66.586 flat angles P-C4'-P energy: -39.740 tors. eta vs tors. theta energy: -80.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -890.997379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.997379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.997379 (E_RNA) where: Base-Base interactions energy: -612.905 where: short stacking energy: -255.747 Base-Backbone interact. energy: 4.120 local terms energy: -282.212663 where: bonds (distance) C4'-P energy: -52.063 bonds (distance) P-C4' energy: -56.031 flat angles C4'-P-C4' energy: -55.425 flat angles P-C4'-P energy: -41.299 tors. eta vs tors. theta energy: -77.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -820.501990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.501990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.501990 (E_RNA) where: Base-Base interactions energy: -546.846 where: short stacking energy: -246.169 Base-Backbone interact. energy: 2.212 local terms energy: -275.868204 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -50.837 flat angles P-C4'-P energy: -38.673 tors. eta vs tors. theta energy: -70.282 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: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -735.981211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.981211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.981211 (E_RNA) where: Base-Base interactions energy: -472.524 where: short stacking energy: -224.406 Base-Backbone interact. energy: 0.091 local terms energy: -263.548201 where: bonds (distance) C4'-P energy: -48.654 bonds (distance) P-C4' energy: -43.098 flat angles C4'-P-C4' energy: -58.027 flat angles P-C4'-P energy: -45.057 tors. eta vs tors. theta energy: -68.712 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: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -748.380923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.380923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.380923 (E_RNA) where: Base-Base interactions energy: -519.956 where: short stacking energy: -210.327 Base-Backbone interact. energy: -1.778 local terms energy: -226.647235 where: bonds (distance) C4'-P energy: -50.846 bonds (distance) P-C4' energy: -39.013 flat angles C4'-P-C4' energy: -57.486 flat angles P-C4'-P energy: -25.373 tors. eta vs tors. theta energy: -53.931 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: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -548.450407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.450407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.450407 (E_RNA) where: Base-Base interactions energy: -348.454 where: short stacking energy: -157.530 Base-Backbone interact. energy: 0.842 local terms energy: -200.837979 where: bonds (distance) C4'-P energy: -51.841 bonds (distance) P-C4' energy: -53.079 flat angles C4'-P-C4' energy: -45.680 flat angles P-C4'-P energy: -26.505 tors. eta vs tors. theta energy: -23.733 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: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -460.341207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.341207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.341207 (E_RNA) where: Base-Base interactions energy: -279.358 where: short stacking energy: -137.976 Base-Backbone interact. energy: 0.005 local terms energy: -180.987303 where: bonds (distance) C4'-P energy: -38.936 bonds (distance) P-C4' energy: -46.156 flat angles C4'-P-C4' energy: -56.165 flat angles P-C4'-P energy: -22.104 tors. eta vs tors. theta energy: -17.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -272.504603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.504603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.504603 (E_RNA) where: Base-Base interactions energy: -119.719 where: short stacking energy: -59.586 Base-Backbone interact. energy: -1.340 local terms energy: -151.445017 where: bonds (distance) C4'-P energy: -39.542 bonds (distance) P-C4' energy: -51.738 flat angles C4'-P-C4' energy: -41.508 flat angles P-C4'-P energy: -26.478 tors. eta vs tors. theta energy: 7.820 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: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1053.794611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.794611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.794611 (E_RNA) where: Base-Base interactions energy: -740.501 where: short stacking energy: -310.259 Base-Backbone interact. energy: -2.303 local terms energy: -310.990645 where: bonds (distance) C4'-P energy: -52.002 bonds (distance) P-C4' energy: -55.467 flat angles C4'-P-C4' energy: -66.049 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -91.123 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: 2, replica: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -966.431077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.431077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.431077 (E_RNA) where: Base-Base interactions energy: -643.225 where: short stacking energy: -281.831 Base-Backbone interact. energy: -3.250 local terms energy: -319.956026 where: bonds (distance) C4'-P energy: -60.799 bonds (distance) P-C4' energy: -68.720 flat angles C4'-P-C4' energy: -64.025 flat angles P-C4'-P energy: -40.008 tors. eta vs tors. theta energy: -86.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -934.725248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.725248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.725248 (E_RNA) where: Base-Base interactions energy: -644.885 where: short stacking energy: -275.297 Base-Backbone interact. energy: 0.759 local terms energy: -290.599130 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -55.575 flat angles C4'-P-C4' energy: -64.471 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -72.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -837.032395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.032395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.032395 (E_RNA) where: Base-Base interactions energy: -568.713 where: short stacking energy: -256.044 Base-Backbone interact. energy: -0.138 local terms energy: -268.181222 where: bonds (distance) C4'-P energy: -48.928 bonds (distance) P-C4' energy: -53.043 flat angles C4'-P-C4' energy: -59.068 flat angles P-C4'-P energy: -33.969 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: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -864.000510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.000510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.000510 (E_RNA) where: Base-Base interactions energy: -597.354 where: short stacking energy: -260.591 Base-Backbone interact. energy: -0.255 local terms energy: -266.391124 where: bonds (distance) C4'-P energy: -44.248 bonds (distance) P-C4' energy: -48.215 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -70.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -762.426979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.426979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.426979 (E_RNA) where: Base-Base interactions energy: -522.655 where: short stacking energy: -226.318 Base-Backbone interact. energy: -1.109 local terms energy: -238.662756 where: bonds (distance) C4'-P energy: -46.303 bonds (distance) P-C4' energy: -44.354 flat angles C4'-P-C4' energy: -48.389 flat angles P-C4'-P energy: -33.785 tors. eta vs tors. theta energy: -65.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -722.269025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.269025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.269025 (E_RNA) where: Base-Base interactions energy: -487.768 where: short stacking energy: -223.914 Base-Backbone interact. energy: -0.650 local terms energy: -233.851368 where: bonds (distance) C4'-P energy: -41.856 bonds (distance) P-C4' energy: -49.498 flat angles C4'-P-C4' energy: -58.006 flat angles P-C4'-P energy: -35.022 tors. eta vs tors. theta energy: -49.470 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: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -575.336680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.336680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.336680 (E_RNA) where: Base-Base interactions energy: -376.879 where: short stacking energy: -158.091 Base-Backbone interact. energy: -0.395 local terms energy: -198.062257 where: bonds (distance) C4'-P energy: -45.985 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -50.061 flat angles P-C4'-P energy: -23.353 tors. eta vs tors. theta energy: -17.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -462.484087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.484087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.484087 (E_RNA) where: Base-Base interactions energy: -253.295 where: short stacking energy: -154.633 Base-Backbone interact. energy: -1.513 local terms energy: -207.675868 where: bonds (distance) C4'-P energy: -57.088 bonds (distance) P-C4' energy: -40.583 flat angles C4'-P-C4' energy: -48.980 flat angles P-C4'-P energy: -36.491 tors. eta vs tors. theta energy: -24.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -256.212222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.212222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.212222 (E_RNA) where: Base-Base interactions energy: -94.407 where: short stacking energy: -85.304 Base-Backbone interact. energy: -0.120 local terms energy: -161.685410 where: bonds (distance) C4'-P energy: -50.245 bonds (distance) P-C4' energy: -53.178 flat angles C4'-P-C4' energy: -38.811 flat angles P-C4'-P energy: -25.326 tors. eta vs tors. theta energy: 5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1064.938452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.938452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.938452 (E_RNA) where: Base-Base interactions energy: -758.497 where: short stacking energy: -327.624 Base-Backbone interact. energy: -0.956 local terms energy: -305.485658 where: bonds (distance) C4'-P energy: -50.635 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -68.288 flat angles P-C4'-P energy: -42.345 tors. eta vs tors. theta energy: -86.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -970.388219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.388219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.388219 (E_RNA) where: Base-Base interactions energy: -670.304 where: short stacking energy: -283.143 Base-Backbone interact. energy: 7.398 local terms energy: -307.481612 where: bonds (distance) C4'-P energy: -56.182 bonds (distance) P-C4' energy: -57.933 flat angles C4'-P-C4' energy: -66.864 flat angles P-C4'-P energy: -39.438 tors. eta vs tors. theta energy: -87.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -918.030185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.030185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.030185 (E_RNA) where: Base-Base interactions energy: -635.166 where: short stacking energy: -278.940 Base-Backbone interact. energy: -2.026 local terms energy: -280.838243 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -36.279 tors. eta vs tors. theta energy: -70.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -876.602922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.602922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.602922 (E_RNA) where: Base-Base interactions energy: -585.403 where: short stacking energy: -268.485 Base-Backbone interact. energy: 0.674 local terms energy: -291.873599 where: bonds (distance) C4'-P energy: -53.940 bonds (distance) P-C4' energy: -56.844 flat angles C4'-P-C4' energy: -58.515 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -80.689 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: 7 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -861.547741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.547741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.547741 (E_RNA) where: Base-Base interactions energy: -581.035 where: short stacking energy: -259.711 Base-Backbone interact. energy: -0.982 local terms energy: -279.530852 where: bonds (distance) C4'-P energy: -46.642 bonds (distance) P-C4' energy: -52.818 flat angles C4'-P-C4' energy: -59.005 flat angles P-C4'-P energy: -46.297 tors. eta vs tors. theta energy: -74.768 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: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -777.595568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.595568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.595568 (E_RNA) where: Base-Base interactions energy: -540.635 where: short stacking energy: -218.246 Base-Backbone interact. energy: -0.601 local terms energy: -236.359428 where: bonds (distance) C4'-P energy: -47.931 bonds (distance) P-C4' energy: -50.658 flat angles C4'-P-C4' energy: -56.536 flat angles P-C4'-P energy: -29.429 tors. eta vs tors. theta energy: -51.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -715.947767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.947767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.947767 (E_RNA) where: Base-Base interactions energy: -467.352 where: short stacking energy: -218.502 Base-Backbone interact. energy: -1.079 local terms energy: -247.517472 where: bonds (distance) C4'-P energy: -41.165 bonds (distance) P-C4' energy: -53.904 flat angles C4'-P-C4' energy: -49.473 flat angles P-C4'-P energy: -44.816 tors. eta vs tors. theta energy: -58.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -548.903208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.903208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.903208 (E_RNA) where: Base-Base interactions energy: -330.604 where: short stacking energy: -146.207 Base-Backbone interact. energy: 1.754 local terms energy: -220.052993 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -66.207 flat angles C4'-P-C4' energy: -49.108 flat angles P-C4'-P energy: -31.945 tors. eta vs tors. theta energy: -16.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -463.458740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.458740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.458740 (E_RNA) where: Base-Base interactions energy: -245.707 where: short stacking energy: -122.814 Base-Backbone interact. energy: 1.013 local terms energy: -218.764359 where: bonds (distance) C4'-P energy: -47.447 bonds (distance) P-C4' energy: -58.862 flat angles C4'-P-C4' energy: -51.275 flat angles P-C4'-P energy: -37.680 tors. eta vs tors. theta energy: -23.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -275.421314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.421314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.421314 (E_RNA) where: Base-Base interactions energy: -90.462 where: short stacking energy: -83.883 Base-Backbone interact. energy: -0.141 local terms energy: -184.817704 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -51.749 flat angles C4'-P-C4' energy: -33.978 flat angles P-C4'-P energy: -34.859 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1063.575178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.575178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.575178 (E_RNA) where: Base-Base interactions energy: -759.197 where: short stacking energy: -325.703 Base-Backbone interact. energy: -1.253 local terms energy: -303.125771 where: bonds (distance) C4'-P energy: -50.467 bonds (distance) P-C4' energy: -57.978 flat angles C4'-P-C4' energy: -72.331 flat angles P-C4'-P energy: -35.012 tors. eta vs tors. theta energy: -87.338 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: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -985.319003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.319003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.319003 (E_RNA) where: Base-Base interactions energy: -656.240 where: short stacking energy: -287.026 Base-Backbone interact. energy: -1.599 local terms energy: -327.479862 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -61.503 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -88.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -953.289342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.289342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.289342 (E_RNA) where: Base-Base interactions energy: -653.085 where: short stacking energy: -258.450 Base-Backbone interact. energy: 2.369 local terms energy: -302.574030 where: bonds (distance) C4'-P energy: -56.760 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -64.648 flat angles P-C4'-P energy: -43.613 tors. eta vs tors. theta energy: -73.443 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: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -876.538213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.538213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.538213 (E_RNA) where: Base-Base interactions energy: -588.968 where: short stacking energy: -260.630 Base-Backbone interact. energy: -2.522 local terms energy: -285.048230 where: bonds (distance) C4'-P energy: -45.313 bonds (distance) P-C4' energy: -66.301 flat angles C4'-P-C4' energy: -59.632 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -74.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -828.789831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.789831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.789831 (E_RNA) where: Base-Base interactions energy: -569.615 where: short stacking energy: -251.921 Base-Backbone interact. energy: 0.601 local terms energy: -259.775838 where: bonds (distance) C4'-P energy: -38.742 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -48.014 flat angles P-C4'-P energy: -45.629 tors. eta vs tors. theta energy: -70.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -781.164448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.164448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.164448 (E_RNA) where: Base-Base interactions energy: -534.024 where: short stacking energy: -222.675 Base-Backbone interact. energy: -0.569 local terms energy: -246.571834 where: bonds (distance) C4'-P energy: -55.674 bonds (distance) P-C4' energy: -50.716 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -30.147 tors. eta vs tors. theta energy: -48.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -722.821803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.821803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.821803 (E_RNA) where: Base-Base interactions energy: -477.275 where: short stacking energy: -210.499 Base-Backbone interact. energy: -0.709 local terms energy: -244.838015 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -54.116 flat angles C4'-P-C4' energy: -51.977 flat angles P-C4'-P energy: -29.985 tors. eta vs tors. theta energy: -52.970 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: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -562.591662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.591662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.591662 (E_RNA) where: Base-Base interactions energy: -351.153 where: short stacking energy: -178.055 Base-Backbone interact. energy: 0.940 local terms energy: -212.378566 where: bonds (distance) C4'-P energy: -48.453 bonds (distance) P-C4' energy: -57.463 flat angles C4'-P-C4' energy: -50.889 flat angles P-C4'-P energy: -32.502 tors. eta vs tors. theta energy: -23.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -430.347050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.347050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.347050 (E_RNA) where: Base-Base interactions energy: -233.732 where: short stacking energy: -149.620 Base-Backbone interact. energy: -0.512 local terms energy: -196.102841 where: bonds (distance) C4'-P energy: -46.317 bonds (distance) P-C4' energy: -54.829 flat angles C4'-P-C4' energy: -42.477 flat angles P-C4'-P energy: -32.428 tors. eta vs tors. theta energy: -20.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -256.745272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.745272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.745272 (E_RNA) where: Base-Base interactions energy: -89.263 where: short stacking energy: -85.326 Base-Backbone interact. energy: -0.224 local terms energy: -167.258196 where: bonds (distance) C4'-P energy: -31.677 bonds (distance) P-C4' energy: -51.785 flat angles C4'-P-C4' energy: -47.091 flat angles P-C4'-P energy: -28.262 tors. eta vs tors. theta energy: -8.443 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: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1064.038562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.038562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.038562 (E_RNA) where: Base-Base interactions energy: -749.957 where: short stacking energy: -324.995 Base-Backbone interact. energy: 0.193 local terms energy: -314.274228 where: bonds (distance) C4'-P energy: -48.561 bonds (distance) P-C4' energy: -64.181 flat angles C4'-P-C4' energy: -64.348 flat angles P-C4'-P energy: -44.300 tors. eta vs tors. theta energy: -92.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -982.888570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.888570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.888570 (E_RNA) where: Base-Base interactions energy: -671.185 where: short stacking energy: -292.806 Base-Backbone interact. energy: -1.210 local terms energy: -310.493408 where: bonds (distance) C4'-P energy: -50.802 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -67.664 flat angles P-C4'-P energy: -41.512 tors. eta vs tors. theta energy: -89.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -957.899857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.899857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.899857 (E_RNA) where: Base-Base interactions energy: -667.591 where: short stacking energy: -276.418 Base-Backbone interact. energy: -1.080 local terms energy: -289.228497 where: bonds (distance) C4'-P energy: -61.152 bonds (distance) P-C4' energy: -57.214 flat angles C4'-P-C4' energy: -60.640 flat angles P-C4'-P energy: -38.546 tors. eta vs tors. theta energy: -71.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -929.511490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.511490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.511490 (E_RNA) where: Base-Base interactions energy: -612.110 where: short stacking energy: -283.550 Base-Backbone interact. energy: 1.920 local terms energy: -319.321546 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -64.488 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -82.886 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: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -873.587145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.587145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.587145 (E_RNA) where: Base-Base interactions energy: -600.674 where: short stacking energy: -252.209 Base-Backbone interact. energy: -0.563 local terms energy: -272.349718 where: bonds (distance) C4'-P energy: -50.896 bonds (distance) P-C4' energy: -53.895 flat angles C4'-P-C4' energy: -65.703 flat angles P-C4'-P energy: -22.232 tors. eta vs tors. theta energy: -79.625 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: 136 Temperature: 1.150000 Total energy: -773.161575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.161575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.161575 (E_RNA) where: Base-Base interactions energy: -537.320 where: short stacking energy: -232.746 Base-Backbone interact. energy: 0.707 local terms energy: -236.549051 where: bonds (distance) C4'-P energy: -47.830 bonds (distance) P-C4' energy: -48.574 flat angles C4'-P-C4' energy: -45.519 flat angles P-C4'-P energy: -38.215 tors. eta vs tors. theta energy: -56.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -654.970485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.970485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.970485 (E_RNA) where: Base-Base interactions energy: -422.762 where: short stacking energy: -192.683 Base-Backbone interact. energy: 0.506 local terms energy: -232.714253 where: bonds (distance) C4'-P energy: -48.520 bonds (distance) P-C4' energy: -50.676 flat angles C4'-P-C4' energy: -52.260 flat angles P-C4'-P energy: -37.861 tors. eta vs tors. theta energy: -43.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -574.050481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.050481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.050481 (E_RNA) where: Base-Base interactions energy: -365.298 where: short stacking energy: -161.852 Base-Backbone interact. energy: -0.817 local terms energy: -207.935976 where: bonds (distance) C4'-P energy: -54.117 bonds (distance) P-C4' energy: -54.654 flat angles C4'-P-C4' energy: -40.890 flat angles P-C4'-P energy: -34.286 tors. eta vs tors. theta energy: -23.988 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: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -414.244213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.244213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.244213 (E_RNA) where: Base-Base interactions energy: -226.890 where: short stacking energy: -135.877 Base-Backbone interact. energy: -0.780 local terms energy: -186.575057 where: bonds (distance) C4'-P energy: -49.488 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -51.224 flat angles P-C4'-P energy: -12.975 tors. eta vs tors. theta energy: -17.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -248.067666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.067666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.067666 (E_RNA) where: Base-Base interactions energy: -91.216 where: short stacking energy: -67.002 Base-Backbone interact. energy: -2.081 local terms energy: -154.771113 where: bonds (distance) C4'-P energy: -39.777 bonds (distance) P-C4' energy: -46.865 flat angles C4'-P-C4' energy: -47.214 flat angles P-C4'-P energy: -31.497 tors. eta vs tors. theta energy: 10.582 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: 137 Temperature: 0.900000 Total energy: -1063.008748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.008748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.008748 (E_RNA) where: Base-Base interactions energy: -744.620 where: short stacking energy: -325.449 Base-Backbone interact. energy: -0.984 local terms energy: -317.404572 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -69.605 flat angles P-C4'-P energy: -43.464 tors. eta vs tors. theta energy: -87.411 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: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -991.240604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.240604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.240604 (E_RNA) where: Base-Base interactions energy: -677.745 where: short stacking energy: -285.925 Base-Backbone interact. energy: 0.349 local terms energy: -313.844866 where: bonds (distance) C4'-P energy: -57.821 bonds (distance) P-C4' energy: -59.740 flat angles C4'-P-C4' energy: -67.893 flat angles P-C4'-P energy: -39.434 tors. eta vs tors. theta energy: -88.957 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: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -931.011859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.011859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.011859 (E_RNA) where: Base-Base interactions energy: -650.457 where: short stacking energy: -275.320 Base-Backbone interact. energy: 0.682 local terms energy: -281.236986 where: bonds (distance) C4'-P energy: -58.041 bonds (distance) P-C4' energy: -53.083 flat angles C4'-P-C4' energy: -66.907 flat angles P-C4'-P energy: -36.751 tors. eta vs tors. theta energy: -66.456 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: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -908.261179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.261179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.261179 (E_RNA) where: Base-Base interactions energy: -620.643 where: short stacking energy: -268.758 Base-Backbone interact. energy: -0.664 local terms energy: -286.954737 where: bonds (distance) C4'-P energy: -56.251 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -57.134 flat angles P-C4'-P energy: -42.276 tors. eta vs tors. theta energy: -74.575 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -898.543771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.543771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.543771 (E_RNA) where: Base-Base interactions energy: -619.906 where: short stacking energy: -266.431 Base-Backbone interact. energy: -0.732 local terms energy: -277.905834 where: bonds (distance) C4'-P energy: -40.395 bonds (distance) P-C4' energy: -61.843 flat angles C4'-P-C4' energy: -59.160 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: -76.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -791.566293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.566293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.566293 (E_RNA) where: Base-Base interactions energy: -542.692 where: short stacking energy: -245.876 Base-Backbone interact. energy: -0.783 local terms energy: -248.091726 where: bonds (distance) C4'-P energy: -48.221 bonds (distance) P-C4' energy: -49.715 flat angles C4'-P-C4' energy: -58.460 flat angles P-C4'-P energy: -31.308 tors. eta vs tors. theta energy: -60.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -679.335681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.335681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.335681 (E_RNA) where: Base-Base interactions energy: -441.945 where: short stacking energy: -196.085 Base-Backbone interact. energy: 1.300 local terms energy: -238.690613 where: bonds (distance) C4'-P energy: -57.097 bonds (distance) P-C4' energy: -60.126 flat angles C4'-P-C4' energy: -48.310 flat angles P-C4'-P energy: -36.797 tors. eta vs tors. theta energy: -36.360 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -577.772654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.772654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.772654 (E_RNA) where: Base-Base interactions energy: -394.037 where: short stacking energy: -174.895 Base-Backbone interact. energy: 3.510 local terms energy: -187.245095 where: bonds (distance) C4'-P energy: -38.773 bonds (distance) P-C4' energy: -48.847 flat angles C4'-P-C4' energy: -48.808 flat angles P-C4'-P energy: -23.478 tors. eta vs tors. theta energy: -27.339 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: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -382.058075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.058075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.058075 (E_RNA) where: Base-Base interactions energy: -207.289 where: short stacking energy: -114.773 Base-Backbone interact. energy: 0.109 local terms energy: -174.877723 where: bonds (distance) C4'-P energy: -51.605 bonds (distance) P-C4' energy: -46.623 flat angles C4'-P-C4' energy: -51.544 flat angles P-C4'-P energy: -19.985 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -264.304030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.304030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.304030 (E_RNA) where: Base-Base interactions energy: -114.439 where: short stacking energy: -67.218 Base-Backbone interact. energy: -0.153 local terms energy: -149.712134 where: bonds (distance) C4'-P energy: -32.914 bonds (distance) P-C4' energy: -55.784 flat angles C4'-P-C4' energy: -35.126 flat angles P-C4'-P energy: -35.086 tors. eta vs tors. theta energy: 9.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1066.357924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.357924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.357924 (E_RNA) where: Base-Base interactions energy: -744.876 where: short stacking energy: -335.772 Base-Backbone interact. energy: 1.139 local terms energy: -322.621091 where: bonds (distance) C4'-P energy: -53.948 bonds (distance) P-C4' energy: -64.676 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -91.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -968.007937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.007937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.007937 (E_RNA) where: Base-Base interactions energy: -669.323 where: short stacking energy: -282.209 Base-Backbone interact. energy: -1.019 local terms energy: -297.666203 where: bonds (distance) C4'-P energy: -54.626 bonds (distance) P-C4' energy: -51.054 flat angles C4'-P-C4' energy: -65.292 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -80.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -944.639054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.639054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.639054 (E_RNA) where: Base-Base interactions energy: -648.194 where: short stacking energy: -291.051 Base-Backbone interact. energy: -1.339 local terms energy: -295.106492 where: bonds (distance) C4'-P energy: -53.857 bonds (distance) P-C4' energy: -58.730 flat angles C4'-P-C4' energy: -65.358 flat angles P-C4'-P energy: -40.724 tors. eta vs tors. theta energy: -76.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -925.262720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.262720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.262720 (E_RNA) where: Base-Base interactions energy: -644.269 where: short stacking energy: -287.108 Base-Backbone interact. energy: 0.993 local terms energy: -281.986861 where: bonds (distance) C4'-P energy: -52.525 bonds (distance) P-C4' energy: -56.203 flat angles C4'-P-C4' energy: -64.046 flat angles P-C4'-P energy: -30.060 tors. eta vs tors. theta energy: -79.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -862.896469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.896469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.896469 (E_RNA) where: Base-Base interactions energy: -610.538 where: short stacking energy: -274.152 Base-Backbone interact. energy: -0.378 local terms energy: -251.980441 where: bonds (distance) C4'-P energy: -45.376 bonds (distance) P-C4' energy: -48.562 flat angles C4'-P-C4' energy: -51.487 flat angles P-C4'-P energy: -29.149 tors. eta vs tors. theta energy: -77.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -777.116428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.116428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.116428 (E_RNA) where: Base-Base interactions energy: -530.504 where: short stacking energy: -227.561 Base-Backbone interact. energy: -0.387 local terms energy: -246.225311 where: bonds (distance) C4'-P energy: -42.250 bonds (distance) P-C4' energy: -52.227 flat angles C4'-P-C4' energy: -55.929 flat angles P-C4'-P energy: -35.253 tors. eta vs tors. theta energy: -60.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -683.294138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.294138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.294138 (E_RNA) where: Base-Base interactions energy: -441.504 where: short stacking energy: -187.520 Base-Backbone interact. energy: -2.232 local terms energy: -239.558189 where: bonds (distance) C4'-P energy: -61.226 bonds (distance) P-C4' energy: -56.683 flat angles C4'-P-C4' energy: -35.362 flat angles P-C4'-P energy: -42.619 tors. eta vs tors. theta energy: -43.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -560.146627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.146627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.146627 (E_RNA) where: Base-Base interactions energy: -349.113 where: short stacking energy: -156.949 Base-Backbone interact. energy: 1.621 local terms energy: -212.654945 where: bonds (distance) C4'-P energy: -45.461 bonds (distance) P-C4' energy: -55.471 flat angles C4'-P-C4' energy: -61.546 flat angles P-C4'-P energy: -28.053 tors. eta vs tors. theta energy: -22.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -397.693293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.693293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.693293 (E_RNA) where: Base-Base interactions energy: -206.092 where: short stacking energy: -113.106 Base-Backbone interact. energy: 4.248 local terms energy: -195.849382 where: bonds (distance) C4'-P energy: -50.550 bonds (distance) P-C4' energy: -43.786 flat angles C4'-P-C4' energy: -54.253 flat angles P-C4'-P energy: -32.251 tors. eta vs tors. theta energy: -15.009 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: 138 Temperature: 1.350000 Total energy: -371.337851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.337851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.337851 (E_RNA) where: Base-Base interactions energy: -196.769 where: short stacking energy: -94.004 Base-Backbone interact. energy: 0.094 local terms energy: -174.663386 where: bonds (distance) C4'-P energy: -42.941 bonds (distance) P-C4' energy: -48.550 flat angles C4'-P-C4' energy: -40.421 flat angles P-C4'-P energy: -28.788 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1064.472634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.472634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.472634 (E_RNA) where: Base-Base interactions energy: -755.511 where: short stacking energy: -319.151 Base-Backbone interact. energy: -3.871 local terms energy: -305.090828 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -55.649 flat angles C4'-P-C4' energy: -65.519 flat angles P-C4'-P energy: -43.860 tors. eta vs tors. theta energy: -88.087 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: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1007.607304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.607304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.607304 (E_RNA) where: Base-Base interactions energy: -684.087 where: short stacking energy: -310.431 Base-Backbone interact. energy: -0.178 local terms energy: -323.341570 where: bonds (distance) C4'-P energy: -61.608 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -68.144 flat angles P-C4'-P energy: -49.425 tors. eta vs tors. theta energy: -79.800 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: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -961.574614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.574614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.574614 (E_RNA) where: Base-Base interactions energy: -654.504 where: short stacking energy: -292.449 Base-Backbone interact. energy: -0.976 local terms energy: -306.094126 where: bonds (distance) C4'-P energy: -60.324 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -60.189 flat angles P-C4'-P energy: -41.526 tors. eta vs tors. theta energy: -80.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -915.336463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.336463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.336463 (E_RNA) where: Base-Base interactions energy: -623.480 where: short stacking energy: -284.466 Base-Backbone interact. energy: -1.363 local terms energy: -290.493829 where: bonds (distance) C4'-P energy: -53.303 bonds (distance) P-C4' energy: -51.630 flat angles C4'-P-C4' energy: -64.037 flat angles P-C4'-P energy: -37.679 tors. eta vs tors. theta energy: -83.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -858.900412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.900412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.900412 (E_RNA) where: Base-Base interactions energy: -598.505 where: short stacking energy: -277.555 Base-Backbone interact. energy: 0.558 local terms energy: -260.952908 where: bonds (distance) C4'-P energy: -47.785 bonds (distance) P-C4' energy: -51.760 flat angles C4'-P-C4' energy: -51.987 flat angles P-C4'-P energy: -36.900 tors. eta vs tors. theta energy: -72.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -772.399205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.399205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.399205 (E_RNA) where: Base-Base interactions energy: -514.872 where: short stacking energy: -231.880 Base-Backbone interact. energy: -0.271 local terms energy: -257.255526 where: bonds (distance) C4'-P energy: -43.681 bonds (distance) P-C4' energy: -59.894 flat angles C4'-P-C4' energy: -57.437 flat angles P-C4'-P energy: -33.324 tors. eta vs tors. theta energy: -62.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -694.428493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.428493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.428493 (E_RNA) where: Base-Base interactions energy: -454.933 where: short stacking energy: -203.508 Base-Backbone interact. energy: 2.580 local terms energy: -242.075604 where: bonds (distance) C4'-P energy: -45.420 bonds (distance) P-C4' energy: -47.502 flat angles C4'-P-C4' energy: -55.699 flat angles P-C4'-P energy: -35.796 tors. eta vs tors. theta energy: -57.659 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: 139 Temperature: 1.250000 Total energy: -560.937218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.937218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.937218 (E_RNA) where: Base-Base interactions energy: -359.782 where: short stacking energy: -175.923 Base-Backbone interact. energy: -0.933 local terms energy: -200.221457 where: bonds (distance) C4'-P energy: -39.284 bonds (distance) P-C4' energy: -50.550 flat angles C4'-P-C4' energy: -43.115 flat angles P-C4'-P energy: -37.130 tors. eta vs tors. theta energy: -30.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -429.182497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.182497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.182497 (E_RNA) where: Base-Base interactions energy: -240.410 where: short stacking energy: -126.811 Base-Backbone interact. energy: 3.434 local terms energy: -192.205754 where: bonds (distance) C4'-P energy: -50.488 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -42.550 flat angles P-C4'-P energy: -33.703 tors. eta vs tors. theta energy: -13.651 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: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -339.762376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.762376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.762376 (E_RNA) where: Base-Base interactions energy: -180.425 where: short stacking energy: -102.668 Base-Backbone interact. energy: -1.822 local terms energy: -157.515492 where: bonds (distance) C4'-P energy: -45.790 bonds (distance) P-C4' energy: -53.256 flat angles C4'-P-C4' energy: -47.259 flat angles P-C4'-P energy: -14.450 tors. eta vs tors. theta energy: 3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1082.446834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.446834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.446834 (E_RNA) where: Base-Base interactions energy: -766.409 where: short stacking energy: -314.140 Base-Backbone interact. energy: -1.313 local terms energy: -314.723995 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -68.146 flat angles P-C4'-P energy: -47.394 tors. eta vs tors. theta energy: -87.857 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: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -979.822873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.822873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.822873 (E_RNA) where: Base-Base interactions energy: -679.768 where: short stacking energy: -278.613 Base-Backbone interact. energy: -1.809 local terms energy: -298.246101 where: bonds (distance) C4'-P energy: -53.711 bonds (distance) P-C4' energy: -55.956 flat angles C4'-P-C4' energy: -65.531 flat angles P-C4'-P energy: -40.498 tors. eta vs tors. theta energy: -82.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -958.359806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.359806 (E_RNA) where: Base-Base interactions energy: -657.863 where: short stacking energy: -299.768 Base-Backbone interact. energy: 1.240 local terms energy: -301.736580 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -65.095 flat angles P-C4'-P energy: -41.026 tors. eta vs tors. theta energy: -79.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -935.790735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.790735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.790735 (E_RNA) where: Base-Base interactions energy: -629.486 where: short stacking energy: -288.886 Base-Backbone interact. energy: -1.976 local terms energy: -304.328409 where: bonds (distance) C4'-P energy: -51.143 bonds (distance) P-C4' energy: -55.750 flat angles C4'-P-C4' energy: -63.358 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -86.886 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: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -897.245296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.245296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.245296 (E_RNA) where: Base-Base interactions energy: -597.113 where: short stacking energy: -268.096 Base-Backbone interact. energy: -0.551 local terms energy: -299.581350 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -64.068 flat angles P-C4'-P energy: -36.882 tors. eta vs tors. theta energy: -81.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -769.949153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.949153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.949153 (E_RNA) where: Base-Base interactions energy: -508.613 where: short stacking energy: -224.083 Base-Backbone interact. energy: -2.834 local terms energy: -258.501562 where: bonds (distance) C4'-P energy: -48.420 bonds (distance) P-C4' energy: -52.462 flat angles C4'-P-C4' energy: -65.354 flat angles P-C4'-P energy: -34.708 tors. eta vs tors. theta energy: -57.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -668.698508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.698508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.698508 (E_RNA) where: Base-Base interactions energy: -450.109 where: short stacking energy: -211.883 Base-Backbone interact. energy: -0.860 local terms energy: -217.729209 where: bonds (distance) C4'-P energy: -33.406 bonds (distance) P-C4' energy: -45.821 flat angles C4'-P-C4' energy: -53.752 flat angles P-C4'-P energy: -34.862 tors. eta vs tors. theta energy: -49.889 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: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -584.270742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.270742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.270742 (E_RNA) where: Base-Base interactions energy: -356.166 where: short stacking energy: -165.684 Base-Backbone interact. energy: 0.037 local terms energy: -228.141595 where: bonds (distance) C4'-P energy: -57.537 bonds (distance) P-C4' energy: -49.627 flat angles C4'-P-C4' energy: -48.162 flat angles P-C4'-P energy: -39.861 tors. eta vs tors. theta energy: -32.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -428.319895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.319895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.319895 (E_RNA) where: Base-Base interactions energy: -252.813 where: short stacking energy: -137.655 Base-Backbone interact. energy: -0.637 local terms energy: -174.869253 where: bonds (distance) C4'-P energy: -49.309 bonds (distance) P-C4' energy: -39.992 flat angles C4'-P-C4' energy: -44.228 flat angles P-C4'-P energy: -31.342 tors. eta vs tors. theta energy: -9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -323.187730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.187730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.187730 (E_RNA) where: Base-Base interactions energy: -143.040 where: short stacking energy: -88.689 Base-Backbone interact. energy: -0.810 local terms energy: -179.338024 where: bonds (distance) C4'-P energy: -41.546 bonds (distance) P-C4' energy: -56.562 flat angles C4'-P-C4' energy: -49.479 flat angles P-C4'-P energy: -28.437 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1055.259761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.259761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.259761 (E_RNA) where: Base-Base interactions energy: -729.835 where: short stacking energy: -313.285 Base-Backbone interact. energy: -1.417 local terms energy: -324.007327 where: bonds (distance) C4'-P energy: -56.109 bonds (distance) P-C4' energy: -59.740 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -44.468 tors. eta vs tors. theta energy: -92.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -976.205030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.205030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.205030 (E_RNA) where: Base-Base interactions energy: -676.516 where: short stacking energy: -282.822 Base-Backbone interact. energy: -1.229 local terms energy: -298.459181 where: bonds (distance) C4'-P energy: -52.707 bonds (distance) P-C4' energy: -61.354 flat angles C4'-P-C4' energy: -67.007 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -79.249 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -937.917387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.917387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.917387 (E_RNA) where: Base-Base interactions energy: -651.841 where: short stacking energy: -265.503 Base-Backbone interact. energy: -0.216 local terms energy: -285.860458 where: bonds (distance) C4'-P energy: -61.729 bonds (distance) P-C4' energy: -46.198 flat angles C4'-P-C4' energy: -68.891 flat angles P-C4'-P energy: -34.280 tors. eta vs tors. theta energy: -74.763 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: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -901.244441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.244441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.244441 (E_RNA) where: Base-Base interactions energy: -608.974 where: short stacking energy: -276.652 Base-Backbone interact. energy: -0.782 local terms energy: -291.488602 where: bonds (distance) C4'-P energy: -46.886 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -67.020 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -74.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -901.286862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.286862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.286862 (E_RNA) where: Base-Base interactions energy: -605.364 where: short stacking energy: -264.914 Base-Backbone interact. energy: -1.121 local terms energy: -294.802015 where: bonds (distance) C4'-P energy: -59.585 bonds (distance) P-C4' energy: -52.355 flat angles C4'-P-C4' energy: -65.503 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -79.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -805.134490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.134490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.134490 (E_RNA) where: Base-Base interactions energy: -536.590 where: short stacking energy: -254.752 Base-Backbone interact. energy: -0.644 local terms energy: -267.900274 where: bonds (distance) C4'-P energy: -64.192 bonds (distance) P-C4' energy: -47.095 flat angles C4'-P-C4' energy: -58.508 flat angles P-C4'-P energy: -26.539 tors. eta vs tors. theta energy: -71.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -666.353829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.353829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.353829 (E_RNA) where: Base-Base interactions energy: -423.719 where: short stacking energy: -175.554 Base-Backbone interact. energy: -1.414 local terms energy: -241.220872 where: bonds (distance) C4'-P energy: -50.294 bonds (distance) P-C4' energy: -58.031 flat angles C4'-P-C4' energy: -55.459 flat angles P-C4'-P energy: -38.138 tors. eta vs tors. theta energy: -39.299 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: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -583.354718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.354718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.354718 (E_RNA) where: Base-Base interactions energy: -358.445 where: short stacking energy: -179.493 Base-Backbone interact. energy: 1.672 local terms energy: -226.581148 where: bonds (distance) C4'-P energy: -44.549 bonds (distance) P-C4' energy: -45.821 flat angles C4'-P-C4' energy: -56.524 flat angles P-C4'-P energy: -42.121 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: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -403.876771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.876771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.876771 (E_RNA) where: Base-Base interactions energy: -210.994 where: short stacking energy: -118.837 Base-Backbone interact. energy: -0.718 local terms energy: -192.164752 where: bonds (distance) C4'-P energy: -42.541 bonds (distance) P-C4' energy: -46.973 flat angles C4'-P-C4' energy: -47.052 flat angles P-C4'-P energy: -34.507 tors. eta vs tors. theta energy: -21.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -303.088226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.088226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.088226 (E_RNA) where: Base-Base interactions energy: -137.591 where: short stacking energy: -93.157 Base-Backbone interact. energy: -0.765 local terms energy: -164.731714 where: bonds (distance) C4'-P energy: -50.028 bonds (distance) P-C4' energy: -51.979 flat angles C4'-P-C4' energy: -36.748 flat angles P-C4'-P energy: -28.563 tors. eta vs tors. theta energy: 2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1061.607709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.607709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.607709 (E_RNA) where: Base-Base interactions energy: -744.308 where: short stacking energy: -336.649 Base-Backbone interact. energy: -1.216 local terms energy: -316.083813 where: bonds (distance) C4'-P energy: -46.707 bonds (distance) P-C4' energy: -64.081 flat angles C4'-P-C4' energy: -67.185 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: -96.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -983.269661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.269661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.269661 (E_RNA) where: Base-Base interactions energy: -694.294 where: short stacking energy: -300.567 Base-Backbone interact. energy: -1.110 local terms energy: -287.865644 where: bonds (distance) C4'-P energy: -48.132 bonds (distance) P-C4' energy: -61.770 flat angles C4'-P-C4' energy: -64.153 flat angles P-C4'-P energy: -36.932 tors. eta vs tors. theta energy: -76.878 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: 142 Temperature: 1.000000 Total energy: -941.110209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.110209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.110209 (E_RNA) where: Base-Base interactions energy: -638.775 where: short stacking energy: -268.244 Base-Backbone interact. energy: -2.232 local terms energy: -300.102784 where: bonds (distance) C4'-P energy: -56.925 bonds (distance) P-C4' energy: -50.110 flat angles C4'-P-C4' energy: -71.606 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -71.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -901.786715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.786715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.786715 (E_RNA) where: Base-Base interactions energy: -599.744 where: short stacking energy: -270.427 Base-Backbone interact. energy: 0.590 local terms energy: -302.632848 where: bonds (distance) C4'-P energy: -58.963 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -62.082 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -73.850 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: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -881.337068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.337068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.337068 (E_RNA) where: Base-Base interactions energy: -603.924 where: short stacking energy: -269.781 Base-Backbone interact. energy: -1.085 local terms energy: -276.328034 where: bonds (distance) C4'-P energy: -54.883 bonds (distance) P-C4' energy: -48.219 flat angles C4'-P-C4' energy: -64.517 flat angles P-C4'-P energy: -28.097 tors. eta vs tors. theta energy: -80.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -838.197071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.197071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.197071 (E_RNA) where: Base-Base interactions energy: -567.202 where: short stacking energy: -253.987 Base-Backbone interact. energy: -2.902 local terms energy: -268.092839 where: bonds (distance) C4'-P energy: -48.180 bonds (distance) P-C4' energy: -59.134 flat angles C4'-P-C4' energy: -51.459 flat angles P-C4'-P energy: -40.189 tors. eta vs tors. theta energy: -69.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -608.731982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.731982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.731982 (E_RNA) where: Base-Base interactions energy: -410.903 where: short stacking energy: -192.900 Base-Backbone interact. energy: -0.490 local terms energy: -197.338404 where: bonds (distance) C4'-P energy: -38.019 bonds (distance) P-C4' energy: -41.868 flat angles C4'-P-C4' energy: -53.280 flat angles P-C4'-P energy: -31.613 tors. eta vs tors. theta energy: -32.559 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: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -633.023992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.023992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.023992 (E_RNA) where: Base-Base interactions energy: -415.374 where: short stacking energy: -178.123 Base-Backbone interact. energy: 0.846 local terms energy: -218.495840 where: bonds (distance) C4'-P energy: -48.375 bonds (distance) P-C4' energy: -50.298 flat angles C4'-P-C4' energy: -46.242 flat angles P-C4'-P energy: -33.952 tors. eta vs tors. theta energy: -39.629 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: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -430.532502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.532502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.532502 (E_RNA) where: Base-Base interactions energy: -245.110 where: short stacking energy: -136.894 Base-Backbone interact. energy: -0.339 local terms energy: -185.083713 where: bonds (distance) C4'-P energy: -41.190 bonds (distance) P-C4' energy: -42.576 flat angles C4'-P-C4' energy: -50.883 flat angles P-C4'-P energy: -30.459 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -267.053208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.053208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.053208 (E_RNA) where: Base-Base interactions energy: -112.605 where: short stacking energy: -80.626 Base-Backbone interact. energy: -0.477 local terms energy: -153.970924 where: bonds (distance) C4'-P energy: -46.418 bonds (distance) P-C4' energy: -45.748 flat angles C4'-P-C4' energy: -38.397 flat angles P-C4'-P energy: -30.354 tors. eta vs tors. theta energy: 6.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1056.558236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.558236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.558236 (E_RNA) where: Base-Base interactions energy: -740.979 where: short stacking energy: -326.222 Base-Backbone interact. energy: 0.081 local terms energy: -315.660421 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -60.436 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -93.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -987.373305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.373305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.373305 (E_RNA) where: Base-Base interactions energy: -696.384 where: short stacking energy: -298.209 Base-Backbone interact. energy: -1.771 local terms energy: -289.218038 where: bonds (distance) C4'-P energy: -57.251 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -64.589 flat angles P-C4'-P energy: -32.110 tors. eta vs tors. theta energy: -75.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -957.201658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.201658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.201658 (E_RNA) where: Base-Base interactions energy: -669.521 where: short stacking energy: -298.820 Base-Backbone interact. energy: 0.813 local terms energy: -288.492884 where: bonds (distance) C4'-P energy: -46.347 bonds (distance) P-C4' energy: -50.440 flat angles C4'-P-C4' energy: -63.394 flat angles P-C4'-P energy: -41.116 tors. eta vs tors. theta energy: -87.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -902.622122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.622122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.622122 (E_RNA) where: Base-Base interactions energy: -617.596 where: short stacking energy: -277.535 Base-Backbone interact. energy: 2.160 local terms energy: -287.186108 where: bonds (distance) C4'-P energy: -52.398 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -63.507 flat angles P-C4'-P energy: -38.251 tors. eta vs tors. theta energy: -70.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -884.094418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.094418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.094418 (E_RNA) where: Base-Base interactions energy: -595.310 where: short stacking energy: -252.443 Base-Backbone interact. energy: -1.922 local terms energy: -286.862660 where: bonds (distance) C4'-P energy: -55.154 bonds (distance) P-C4' energy: -65.717 flat angles C4'-P-C4' energy: -55.256 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -73.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -844.440824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.440824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.440824 (E_RNA) where: Base-Base interactions energy: -577.957 where: short stacking energy: -247.242 Base-Backbone interact. energy: 0.456 local terms energy: -266.939141 where: bonds (distance) C4'-P energy: -47.573 bonds (distance) P-C4' energy: -52.994 flat angles C4'-P-C4' energy: -58.109 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -59.399 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: 143 Temperature: 1.200000 Total energy: -611.589586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.589586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.589586 (E_RNA) where: Base-Base interactions energy: -377.340 where: short stacking energy: -189.838 Base-Backbone interact. energy: 0.375 local terms energy: -234.625319 where: bonds (distance) C4'-P energy: -50.140 bonds (distance) P-C4' energy: -49.617 flat angles C4'-P-C4' energy: -56.373 flat angles P-C4'-P energy: -32.439 tors. eta vs tors. theta energy: -46.056 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: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -612.763950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.763950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.763950 (E_RNA) where: Base-Base interactions energy: -406.325 where: short stacking energy: -179.946 Base-Backbone interact. energy: -0.818 local terms energy: -205.620845 where: bonds (distance) C4'-P energy: -45.585 bonds (distance) P-C4' energy: -47.580 flat angles C4'-P-C4' energy: -44.834 flat angles P-C4'-P energy: -26.540 tors. eta vs tors. theta energy: -41.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -421.058123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.058123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.058123 (E_RNA) where: Base-Base interactions energy: -236.241 where: short stacking energy: -127.091 Base-Backbone interact. energy: -1.152 local terms energy: -183.664887 where: bonds (distance) C4'-P energy: -41.732 bonds (distance) P-C4' energy: -58.887 flat angles C4'-P-C4' energy: -39.455 flat angles P-C4'-P energy: -30.080 tors. eta vs tors. theta energy: -13.511 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: 143 Temperature: 1.350000 Total energy: -267.942511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.942511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.942511 (E_RNA) where: Base-Base interactions energy: -102.253 where: short stacking energy: -76.227 Base-Backbone interact. energy: 6.731 local terms energy: -172.421013 where: bonds (distance) C4'-P energy: -57.415 bonds (distance) P-C4' energy: -45.877 flat angles C4'-P-C4' energy: -52.664 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -4.021 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: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1078.295627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.295627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.295627 (E_RNA) where: Base-Base interactions energy: -752.891 where: short stacking energy: -326.831 Base-Backbone interact. energy: -0.384 local terms energy: -325.020797 where: bonds (distance) C4'-P energy: -61.428 bonds (distance) P-C4' energy: -62.239 flat angles C4'-P-C4' energy: -61.912 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: -93.094 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: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -988.522971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.522971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.522971 (E_RNA) where: Base-Base interactions energy: -688.766 where: short stacking energy: -280.670 Base-Backbone interact. energy: -0.582 local terms energy: -299.175198 where: bonds (distance) C4'-P energy: -50.288 bonds (distance) P-C4' energy: -65.081 flat angles C4'-P-C4' energy: -67.067 flat angles P-C4'-P energy: -41.760 tors. eta vs tors. theta energy: -74.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -937.807190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.807190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.807190 (E_RNA) where: Base-Base interactions energy: -637.000 where: short stacking energy: -277.300 Base-Backbone interact. energy: 1.829 local terms energy: -302.636375 where: bonds (distance) C4'-P energy: -54.559 bonds (distance) P-C4' energy: -57.713 flat angles C4'-P-C4' energy: -63.647 flat angles P-C4'-P energy: -42.235 tors. eta vs tors. theta energy: -84.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -915.915837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.915837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.915837 (E_RNA) where: Base-Base interactions energy: -626.964 where: short stacking energy: -275.570 Base-Backbone interact. energy: 0.046 local terms energy: -288.998400 where: bonds (distance) C4'-P energy: -53.225 bonds (distance) P-C4' energy: -57.123 flat angles C4'-P-C4' energy: -64.352 flat angles P-C4'-P energy: -41.873 tors. eta vs tors. theta energy: -72.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -874.960771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.960771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.960771 (E_RNA) where: Base-Base interactions energy: -593.492 where: short stacking energy: -269.718 Base-Backbone interact. energy: 1.736 local terms energy: -283.204583 where: bonds (distance) C4'-P energy: -49.807 bonds (distance) P-C4' energy: -50.783 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -74.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -836.639065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.639065 (E_RNA) where: Base-Base interactions energy: -556.170 where: short stacking energy: -239.878 Base-Backbone interact. energy: -0.721 local terms energy: -279.748120 where: bonds (distance) C4'-P energy: -46.645 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -62.137 flat angles P-C4'-P energy: -44.710 tors. eta vs tors. theta energy: -69.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -682.437246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.437246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.437246 (E_RNA) where: Base-Base interactions energy: -429.416 where: short stacking energy: -195.175 Base-Backbone interact. energy: -1.494 local terms energy: -251.527386 where: bonds (distance) C4'-P energy: -51.371 bonds (distance) P-C4' energy: -54.188 flat angles C4'-P-C4' energy: -53.476 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: -55.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -581.701328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.701328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.701328 (E_RNA) where: Base-Base interactions energy: -386.197 where: short stacking energy: -169.311 Base-Backbone interact. energy: 5.271 local terms energy: -200.774689 where: bonds (distance) C4'-P energy: -52.343 bonds (distance) P-C4' energy: -42.922 flat angles C4'-P-C4' energy: -50.320 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: -23.965 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: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -298.001967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.001967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.001967 (E_RNA) where: Base-Base interactions energy: -136.261 where: short stacking energy: -89.737 Base-Backbone interact. energy: -0.988 local terms energy: -160.753148 where: bonds (distance) C4'-P energy: -57.299 bonds (distance) P-C4' energy: -50.027 flat angles C4'-P-C4' energy: -31.191 flat angles P-C4'-P energy: -28.731 tors. eta vs tors. theta energy: 6.495 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: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -414.203557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.203557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.203557 (E_RNA) where: Base-Base interactions energy: -202.333 where: short stacking energy: -113.845 Base-Backbone interact. energy: 1.177 local terms energy: -213.047798 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -62.392 flat angles C4'-P-C4' energy: -48.999 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1064.901783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.901783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.901783 (E_RNA) where: Base-Base interactions energy: -746.251 where: short stacking energy: -316.929 Base-Backbone interact. energy: -1.700 local terms energy: -316.950738 where: bonds (distance) C4'-P energy: -57.745 bonds (distance) P-C4' energy: -56.636 flat angles C4'-P-C4' energy: -68.841 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: -94.142 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: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -971.210143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.210143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.210143 (E_RNA) where: Base-Base interactions energy: -668.370 where: short stacking energy: -286.990 Base-Backbone interact. energy: -0.524 local terms energy: -302.315594 where: bonds (distance) C4'-P energy: -59.191 bonds (distance) P-C4' energy: -55.069 flat angles C4'-P-C4' energy: -64.739 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -76.501 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: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -957.009791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.009791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.009791 (E_RNA) where: Base-Base interactions energy: -655.132 where: short stacking energy: -284.372 Base-Backbone interact. energy: -0.559 local terms energy: -301.318579 where: bonds (distance) C4'-P energy: -46.009 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -84.376 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: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -936.863193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.863193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.863193 (E_RNA) where: Base-Base interactions energy: -644.197 where: short stacking energy: -268.779 Base-Backbone interact. energy: -1.245 local terms energy: -291.421266 where: bonds (distance) C4'-P energy: -55.127 bonds (distance) P-C4' energy: -55.949 flat angles C4'-P-C4' energy: -62.560 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: -77.913 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: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -882.910337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.910337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.910337 (E_RNA) where: Base-Base interactions energy: -604.998 where: short stacking energy: -250.584 Base-Backbone interact. energy: -0.519 local terms energy: -277.393802 where: bonds (distance) C4'-P energy: -55.079 bonds (distance) P-C4' energy: -50.805 flat angles C4'-P-C4' energy: -59.651 flat angles P-C4'-P energy: -34.654 tors. eta vs tors. theta energy: -77.204 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: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -833.423138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.423138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.423138 (E_RNA) where: Base-Base interactions energy: -570.147 where: short stacking energy: -255.862 Base-Backbone interact. energy: -0.731 local terms energy: -262.545595 where: bonds (distance) C4'-P energy: -48.282 bonds (distance) P-C4' energy: -52.729 flat angles C4'-P-C4' energy: -60.032 flat angles P-C4'-P energy: -32.794 tors. eta vs tors. theta energy: -68.708 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: 7, replica: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -691.782350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.782350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.782350 (E_RNA) where: Base-Base interactions energy: -449.936 where: short stacking energy: -187.926 Base-Backbone interact. energy: 3.344 local terms energy: -245.190127 where: bonds (distance) C4'-P energy: -56.571 bonds (distance) P-C4' energy: -55.786 flat angles C4'-P-C4' energy: -47.878 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: -47.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -561.922027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.922027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.922027 (E_RNA) where: Base-Base interactions energy: -356.477 where: short stacking energy: -171.913 Base-Backbone interact. energy: 1.353 local terms energy: -206.798343 where: bonds (distance) C4'-P energy: -53.544 bonds (distance) P-C4' energy: -52.210 flat angles C4'-P-C4' energy: -59.822 flat angles P-C4'-P energy: -20.098 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: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -366.814176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.814176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.814176 (E_RNA) where: Base-Base interactions energy: -192.898 where: short stacking energy: -115.040 Base-Backbone interact. energy: -2.047 local terms energy: -171.868987 where: bonds (distance) C4'-P energy: -39.598 bonds (distance) P-C4' energy: -52.404 flat angles C4'-P-C4' energy: -45.746 flat angles P-C4'-P energy: -30.823 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -418.359383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.359383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.359383 (E_RNA) where: Base-Base interactions energy: -250.338 where: short stacking energy: -131.586 Base-Backbone interact. energy: 0.997 local terms energy: -169.017817 where: bonds (distance) C4'-P energy: -38.869 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -34.120 flat angles P-C4'-P energy: -14.549 tors. eta vs tors. theta energy: -26.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1049.409653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.409653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.409653 (E_RNA) where: Base-Base interactions energy: -741.109 where: short stacking energy: -326.079 Base-Backbone interact. energy: 0.208 local terms energy: -308.508728 where: bonds (distance) C4'-P energy: -59.815 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -61.701 flat angles P-C4'-P energy: -33.222 tors. eta vs tors. theta energy: -93.353 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: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -988.240944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.240944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.240944 (E_RNA) where: Base-Base interactions energy: -681.788 where: short stacking energy: -303.177 Base-Backbone interact. energy: 0.283 local terms energy: -306.736550 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -60.793 flat angles C4'-P-C4' energy: -67.982 flat angles P-C4'-P energy: -39.742 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: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -960.426747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.426747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.426747 (E_RNA) where: Base-Base interactions energy: -646.397 where: short stacking energy: -293.524 Base-Backbone interact. energy: -1.250 local terms energy: -312.779747 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -65.999 flat angles P-C4'-P energy: -40.114 tors. eta vs tors. theta energy: -84.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -933.683645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.683645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.683645 (E_RNA) where: Base-Base interactions energy: -655.154 where: short stacking energy: -266.189 Base-Backbone interact. energy: -2.427 local terms energy: -276.102131 where: bonds (distance) C4'-P energy: -57.826 bonds (distance) P-C4' energy: -46.434 flat angles C4'-P-C4' energy: -60.574 flat angles P-C4'-P energy: -38.400 tors. eta vs tors. theta energy: -72.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -916.674110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.674110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.674110 (E_RNA) where: Base-Base interactions energy: -606.448 where: short stacking energy: -263.071 Base-Backbone interact. energy: -0.493 local terms energy: -309.733172 where: bonds (distance) C4'-P energy: -58.792 bonds (distance) P-C4' energy: -60.486 flat angles C4'-P-C4' energy: -63.904 flat angles P-C4'-P energy: -39.015 tors. eta vs tors. theta energy: -87.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -848.783056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.783056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.783056 (E_RNA) where: Base-Base interactions energy: -579.435 where: short stacking energy: -245.356 Base-Backbone interact. energy: 0.066 local terms energy: -269.414019 where: bonds (distance) C4'-P energy: -36.210 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -62.263 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -70.946 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: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -718.151468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.151468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.151468 (E_RNA) where: Base-Base interactions energy: -471.116 where: short stacking energy: -222.163 Base-Backbone interact. energy: -3.266 local terms energy: -243.768820 where: bonds (distance) C4'-P energy: -48.584 bonds (distance) P-C4' energy: -50.763 flat angles C4'-P-C4' energy: -53.232 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: -51.578 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: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -567.192456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.192456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.192456 (E_RNA) where: Base-Base interactions energy: -374.195 where: short stacking energy: -179.725 Base-Backbone interact. energy: 0.065 local terms energy: -193.062063 where: bonds (distance) C4'-P energy: -33.747 bonds (distance) P-C4' energy: -50.192 flat angles C4'-P-C4' energy: -48.556 flat angles P-C4'-P energy: -28.679 tors. eta vs tors. theta energy: -31.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -428.380067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.380067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.380067 (E_RNA) where: Base-Base interactions energy: -231.460 where: short stacking energy: -127.047 Base-Backbone interact. energy: -1.004 local terms energy: -195.916390 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -41.506 flat angles C4'-P-C4' energy: -50.579 flat angles P-C4'-P energy: -29.491 tors. eta vs tors. theta energy: -23.073 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: 146 Temperature: 1.350000 Total energy: -394.752046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.752046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.752046 (E_RNA) where: Base-Base interactions energy: -208.832 where: short stacking energy: -127.111 Base-Backbone interact. energy: -0.280 local terms energy: -185.639963 where: bonds (distance) C4'-P energy: -44.607 bonds (distance) P-C4' energy: -46.811 flat angles C4'-P-C4' energy: -43.198 flat angles P-C4'-P energy: -34.270 tors. eta vs tors. theta energy: -16.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1071.688507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.688507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.688507 (E_RNA) where: Base-Base interactions energy: -746.755 where: short stacking energy: -321.709 Base-Backbone interact. energy: 3.002 local terms energy: -327.935367 where: bonds (distance) C4'-P energy: -53.053 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -75.424 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -94.913 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: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -994.116656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.116656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.116656 (E_RNA) where: Base-Base interactions energy: -697.750 where: short stacking energy: -310.889 Base-Backbone interact. energy: -0.140 local terms energy: -296.226782 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -53.412 flat angles C4'-P-C4' energy: -59.546 flat angles P-C4'-P energy: -34.937 tors. eta vs tors. theta energy: -84.634 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: 147 Temperature: 1.000000 Total energy: -943.410633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.410633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.410633 (E_RNA) where: Base-Base interactions energy: -650.923 where: short stacking energy: -282.516 Base-Backbone interact. energy: -1.505 local terms energy: -290.982615 where: bonds (distance) C4'-P energy: -53.189 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -36.691 tors. eta vs tors. theta energy: -76.343 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: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -927.733294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.733294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.733294 (E_RNA) where: Base-Base interactions energy: -631.069 where: short stacking energy: -261.949 Base-Backbone interact. energy: -1.389 local terms energy: -295.274836 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -57.417 flat angles C4'-P-C4' energy: -65.435 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -74.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -895.580431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.580431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.580431 (E_RNA) where: Base-Base interactions energy: -614.224 where: short stacking energy: -277.652 Base-Backbone interact. energy: -0.421 local terms energy: -280.936259 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -43.362 flat angles C4'-P-C4' energy: -60.661 flat angles P-C4'-P energy: -35.684 tors. eta vs tors. theta energy: -76.676 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: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -855.156912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.156912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.156912 (E_RNA) where: Base-Base interactions energy: -585.416 where: short stacking energy: -253.332 Base-Backbone interact. energy: -1.197 local terms energy: -268.543681 where: bonds (distance) C4'-P energy: -48.743 bonds (distance) P-C4' energy: -45.467 flat angles C4'-P-C4' energy: -53.280 flat angles P-C4'-P energy: -42.401 tors. eta vs tors. theta energy: -78.652 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: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -733.166214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.166214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.166214 (E_RNA) where: Base-Base interactions energy: -480.508 where: short stacking energy: -222.090 Base-Backbone interact. energy: -0.302 local terms energy: -252.356132 where: bonds (distance) C4'-P energy: -50.021 bonds (distance) P-C4' energy: -51.270 flat angles C4'-P-C4' energy: -58.648 flat angles P-C4'-P energy: -36.918 tors. eta vs tors. theta energy: -55.499 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: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -566.977840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.977840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.977840 (E_RNA) where: Base-Base interactions energy: -355.006 where: short stacking energy: -160.326 Base-Backbone interact. energy: -0.775 local terms energy: -211.196670 where: bonds (distance) C4'-P energy: -50.827 bonds (distance) P-C4' energy: -51.488 flat angles C4'-P-C4' energy: -51.317 flat angles P-C4'-P energy: -27.846 tors. eta vs tors. theta energy: -29.718 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: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -422.115965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.115965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.115965 (E_RNA) where: Base-Base interactions energy: -255.563 where: short stacking energy: -130.029 Base-Backbone interact. energy: -1.108 local terms energy: -165.444650 where: bonds (distance) C4'-P energy: -51.290 bonds (distance) P-C4' energy: -45.003 flat angles C4'-P-C4' energy: -43.224 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -18.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -415.483983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.483983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.483983 (E_RNA) where: Base-Base interactions energy: -244.572 where: short stacking energy: -119.982 Base-Backbone interact. energy: 0.470 local terms energy: -171.381709 where: bonds (distance) C4'-P energy: -50.391 bonds (distance) P-C4' energy: -43.360 flat angles C4'-P-C4' energy: -41.679 flat angles P-C4'-P energy: -15.053 tors. eta vs tors. theta energy: -20.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1055.020175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.020175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.020175 (E_RNA) where: Base-Base interactions energy: -732.100 where: short stacking energy: -304.021 Base-Backbone interact. energy: -0.494 local terms energy: -322.425866 where: bonds (distance) C4'-P energy: -52.663 bonds (distance) P-C4' energy: -57.618 flat angles C4'-P-C4' energy: -72.232 flat angles P-C4'-P energy: -46.783 tors. eta vs tors. theta energy: -93.130 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: 2, replica: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -968.367067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.367067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.367067 (E_RNA) where: Base-Base interactions energy: -662.784 where: short stacking energy: -283.448 Base-Backbone interact. energy: -0.812 local terms energy: -304.771031 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -62.253 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -75.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -944.075573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.075573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.075573 (E_RNA) where: Base-Base interactions energy: -658.744 where: short stacking energy: -282.911 Base-Backbone interact. energy: -1.853 local terms energy: -283.478417 where: bonds (distance) C4'-P energy: -46.789 bonds (distance) P-C4' energy: -62.361 flat angles C4'-P-C4' energy: -58.245 flat angles P-C4'-P energy: -34.677 tors. eta vs tors. theta energy: -81.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -910.425150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.425150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.425150 (E_RNA) where: Base-Base interactions energy: -615.947 where: short stacking energy: -263.764 Base-Backbone interact. energy: 1.670 local terms energy: -296.148463 where: bonds (distance) C4'-P energy: -56.839 bonds (distance) P-C4' energy: -47.418 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -44.698 tors. eta vs tors. theta energy: -77.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -901.463468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.463468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.463468 (E_RNA) where: Base-Base interactions energy: -600.099 where: short stacking energy: -252.523 Base-Backbone interact. energy: -1.434 local terms energy: -299.930946 where: bonds (distance) C4'-P energy: -53.878 bonds (distance) P-C4' energy: -54.328 flat angles C4'-P-C4' energy: -62.294 flat angles P-C4'-P energy: -48.904 tors. eta vs tors. theta energy: -80.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -817.376452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.376452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.376452 (E_RNA) where: Base-Base interactions energy: -562.329 where: short stacking energy: -233.007 Base-Backbone interact. energy: -1.193 local terms energy: -253.854736 where: bonds (distance) C4'-P energy: -44.513 bonds (distance) P-C4' energy: -45.433 flat angles C4'-P-C4' energy: -61.269 flat angles P-C4'-P energy: -39.214 tors. eta vs tors. theta energy: -63.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -750.761659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.761659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.761659 (E_RNA) where: Base-Base interactions energy: -484.996 where: short stacking energy: -232.131 Base-Backbone interact. energy: 0.577 local terms energy: -266.342555 where: bonds (distance) C4'-P energy: -53.440 bonds (distance) P-C4' energy: -48.713 flat angles C4'-P-C4' energy: -56.447 flat angles P-C4'-P energy: -45.371 tors. eta vs tors. theta energy: -62.372 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: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -588.276051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.276051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.276051 (E_RNA) where: Base-Base interactions energy: -378.156 where: short stacking energy: -174.396 Base-Backbone interact. energy: 0.963 local terms energy: -211.082511 where: bonds (distance) C4'-P energy: -54.036 bonds (distance) P-C4' energy: -44.021 flat angles C4'-P-C4' energy: -61.350 flat angles P-C4'-P energy: -16.503 tors. eta vs tors. theta energy: -35.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -418.778529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.778529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.778529 (E_RNA) where: Base-Base interactions energy: -215.832 where: short stacking energy: -109.150 Base-Backbone interact. energy: -1.148 local terms energy: -201.798887 where: bonds (distance) C4'-P energy: -49.636 bonds (distance) P-C4' energy: -52.878 flat angles C4'-P-C4' energy: -54.936 flat angles P-C4'-P energy: -23.775 tors. eta vs tors. theta energy: -20.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -371.310924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.310924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.310924 (E_RNA) where: Base-Base interactions energy: -203.126 where: short stacking energy: -122.336 Base-Backbone interact. energy: 2.055 local terms energy: -170.239780 where: bonds (distance) C4'-P energy: -40.407 bonds (distance) P-C4' energy: -43.888 flat angles C4'-P-C4' energy: -37.147 flat angles P-C4'-P energy: -31.154 tors. eta vs tors. theta energy: -17.644 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: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1072.737739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.737739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.737739 (E_RNA) where: Base-Base interactions energy: -759.021 where: short stacking energy: -327.312 Base-Backbone interact. energy: 0.114 local terms energy: -313.830113 where: bonds (distance) C4'-P energy: -53.093 bonds (distance) P-C4' energy: -56.931 flat angles C4'-P-C4' energy: -67.785 flat angles P-C4'-P energy: -44.376 tors. eta vs tors. theta energy: -91.645 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: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -965.696183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.696183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.696183 (E_RNA) where: Base-Base interactions energy: -650.087 where: short stacking energy: -290.509 Base-Backbone interact. energy: -1.438 local terms energy: -314.171196 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -53.581 flat angles C4'-P-C4' energy: -65.987 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -85.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -938.886388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.886388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.886388 (E_RNA) where: Base-Base interactions energy: -655.936 where: short stacking energy: -279.296 Base-Backbone interact. energy: -1.957 local terms energy: -280.992733 where: bonds (distance) C4'-P energy: -52.007 bonds (distance) P-C4' energy: -52.054 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: -74.348 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: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -920.816462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.816462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.816462 (E_RNA) where: Base-Base interactions energy: -630.007 where: short stacking energy: -267.523 Base-Backbone interact. energy: 0.459 local terms energy: -291.268504 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -56.268 flat angles C4'-P-C4' energy: -51.080 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: -79.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -879.187440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.187440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.187440 (E_RNA) where: Base-Base interactions energy: -610.286 where: short stacking energy: -279.097 Base-Backbone interact. energy: -1.264 local terms energy: -267.637654 where: bonds (distance) C4'-P energy: -41.028 bonds (distance) P-C4' energy: -49.420 flat angles C4'-P-C4' energy: -59.848 flat angles P-C4'-P energy: -33.409 tors. eta vs tors. theta energy: -83.932 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: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -828.460346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.460346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.460346 (E_RNA) where: Base-Base interactions energy: -576.417 where: short stacking energy: -261.557 Base-Backbone interact. energy: 1.941 local terms energy: -253.984360 where: bonds (distance) C4'-P energy: -43.414 bonds (distance) P-C4' energy: -46.959 flat angles C4'-P-C4' energy: -60.443 flat angles P-C4'-P energy: -32.759 tors. eta vs tors. theta energy: -70.410 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: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -688.761054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.761054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.761054 (E_RNA) where: Base-Base interactions energy: -441.495 where: short stacking energy: -206.279 Base-Backbone interact. energy: 0.184 local terms energy: -247.449417 where: bonds (distance) C4'-P energy: -55.446 bonds (distance) P-C4' energy: -55.977 flat angles C4'-P-C4' energy: -54.688 flat angles P-C4'-P energy: -31.003 tors. eta vs tors. theta energy: -50.336 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -596.427097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.427097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.427097 (E_RNA) where: Base-Base interactions energy: -411.930 where: short stacking energy: -169.217 Base-Backbone interact. energy: 0.283 local terms energy: -184.780202 where: bonds (distance) C4'-P energy: -46.742 bonds (distance) P-C4' energy: -45.065 flat angles C4'-P-C4' energy: -46.397 flat angles P-C4'-P energy: -22.758 tors. eta vs tors. theta energy: -23.818 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: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -336.638052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.638052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.638052 (E_RNA) where: Base-Base interactions energy: -152.016 where: short stacking energy: -103.847 Base-Backbone interact. energy: 3.695 local terms energy: -188.317216 where: bonds (distance) C4'-P energy: -43.052 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -47.795 flat angles P-C4'-P energy: -32.583 tors. eta vs tors. theta energy: -6.229 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: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -366.163586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.163586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.163586 (E_RNA) where: Base-Base interactions energy: -200.452 where: short stacking energy: -104.667 Base-Backbone interact. energy: -1.560 local terms energy: -164.151678 where: bonds (distance) C4'-P energy: -40.517 bonds (distance) P-C4' energy: -47.999 flat angles C4'-P-C4' energy: -41.937 flat angles P-C4'-P energy: -27.854 tors. eta vs tors. theta energy: -5.845 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: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1054.610608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.610608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.610608 (E_RNA) where: Base-Base interactions energy: -733.183 where: short stacking energy: -310.062 Base-Backbone interact. energy: -0.862 local terms energy: -320.566245 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -66.894 flat angles P-C4'-P energy: -41.105 tors. eta vs tors. theta energy: -84.070 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: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -970.680264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.680264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.680264 (E_RNA) where: Base-Base interactions energy: -657.567 where: short stacking energy: -289.750 Base-Backbone interact. energy: -1.014 local terms energy: -312.099466 where: bonds (distance) C4'-P energy: -55.875 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -66.873 flat angles P-C4'-P energy: -45.852 tors. eta vs tors. theta energy: -82.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -958.135312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.135312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.135312 (E_RNA) where: Base-Base interactions energy: -686.524 where: short stacking energy: -298.844 Base-Backbone interact. energy: 3.524 local terms energy: -275.135551 where: bonds (distance) C4'-P energy: -52.286 bonds (distance) P-C4' energy: -60.840 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -29.581 tors. eta vs tors. theta energy: -71.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -910.519894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.519894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.519894 (E_RNA) where: Base-Base interactions energy: -608.407 where: short stacking energy: -270.926 Base-Backbone interact. energy: -3.209 local terms energy: -298.903686 where: bonds (distance) C4'-P energy: -57.594 bonds (distance) P-C4' energy: -50.487 flat angles C4'-P-C4' energy: -67.366 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -76.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -873.550879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.550879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.550879 (E_RNA) where: Base-Base interactions energy: -580.333 where: short stacking energy: -273.346 Base-Backbone interact. energy: 2.338 local terms energy: -295.556095 where: bonds (distance) C4'-P energy: -50.710 bonds (distance) P-C4' energy: -58.551 flat angles C4'-P-C4' energy: -60.179 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: -81.195 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: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -846.703737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.703737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.703737 (E_RNA) where: Base-Base interactions energy: -580.097 where: short stacking energy: -254.632 Base-Backbone interact. energy: -1.111 local terms energy: -265.495942 where: bonds (distance) C4'-P energy: -48.327 bonds (distance) P-C4' energy: -51.392 flat angles C4'-P-C4' energy: -60.168 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -66.808 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: 150 Temperature: 1.200000 Total energy: -680.541836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.541836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.541836 (E_RNA) where: Base-Base interactions energy: -459.761 where: short stacking energy: -226.495 Base-Backbone interact. energy: -0.633 local terms energy: -220.147121 where: bonds (distance) C4'-P energy: -33.611 bonds (distance) P-C4' energy: -46.900 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -25.613 tors. eta vs tors. theta energy: -60.347 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: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -626.899657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.899657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.899657 (E_RNA) where: Base-Base interactions energy: -398.517 where: short stacking energy: -170.555 Base-Backbone interact. energy: 4.854 local terms energy: -233.236434 where: bonds (distance) C4'-P energy: -50.966 bonds (distance) P-C4' energy: -51.020 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -38.575 tors. eta vs tors. theta energy: -39.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -397.799240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.799240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.799240 (E_RNA) where: Base-Base interactions energy: -215.648 where: short stacking energy: -126.797 Base-Backbone interact. energy: -0.120 local terms energy: -182.030795 where: bonds (distance) C4'-P energy: -42.555 bonds (distance) P-C4' energy: -51.767 flat angles C4'-P-C4' energy: -40.199 flat angles P-C4'-P energy: -34.019 tors. eta vs tors. theta energy: -13.491 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: 150 Temperature: 1.350000 Total energy: -272.730292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.730292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.730292 (E_RNA) where: Base-Base interactions energy: -114.416 where: short stacking energy: -87.385 Base-Backbone interact. energy: 2.057 local terms energy: -160.371853 where: bonds (distance) C4'-P energy: -45.618 bonds (distance) P-C4' energy: -54.096 flat angles C4'-P-C4' energy: -32.255 flat angles P-C4'-P energy: -28.786 tors. eta vs tors. theta energy: 0.383 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: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1059.970513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.970513 (E_RNA) where: Base-Base interactions energy: -727.940 where: short stacking energy: -323.264 Base-Backbone interact. energy: 0.476 local terms energy: -332.506274 where: bonds (distance) C4'-P energy: -60.282 bonds (distance) P-C4' energy: -64.307 flat angles C4'-P-C4' energy: -71.543 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -87.090 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: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -980.951595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.951595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.951595 (E_RNA) where: Base-Base interactions energy: -686.326 where: short stacking energy: -302.595 Base-Backbone interact. energy: -0.741 local terms energy: -293.884454 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -67.263 flat angles P-C4'-P energy: -30.291 tors. eta vs tors. theta energy: -81.086 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: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -945.257530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.257530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.257530 (E_RNA) where: Base-Base interactions energy: -642.673 where: short stacking energy: -281.902 Base-Backbone interact. energy: -0.467 local terms energy: -302.118226 where: bonds (distance) C4'-P energy: -48.022 bonds (distance) P-C4' energy: -58.781 flat angles C4'-P-C4' energy: -66.652 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -87.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -902.830318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.830318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.830318 (E_RNA) where: Base-Base interactions energy: -605.944 where: short stacking energy: -267.743 Base-Backbone interact. energy: -0.702 local terms energy: -296.184018 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -61.252 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -81.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -869.703295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.703295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.703295 (E_RNA) where: Base-Base interactions energy: -602.913 where: short stacking energy: -264.592 Base-Backbone interact. energy: -0.375 local terms energy: -266.415709 where: bonds (distance) C4'-P energy: -51.432 bonds (distance) P-C4' energy: -48.311 flat angles C4'-P-C4' energy: -44.566 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -73.809 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: 151 Temperature: 1.150000 Total energy: -814.311641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.311641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.311641 (E_RNA) where: Base-Base interactions energy: -547.696 where: short stacking energy: -256.161 Base-Backbone interact. energy: 1.476 local terms energy: -268.091250 where: bonds (distance) C4'-P energy: -56.631 bonds (distance) P-C4' energy: -52.263 flat angles C4'-P-C4' energy: -63.430 flat angles P-C4'-P energy: -30.490 tors. eta vs tors. theta energy: -65.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -734.967269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.967269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.967269 (E_RNA) where: Base-Base interactions energy: -486.704 where: short stacking energy: -225.134 Base-Backbone interact. energy: -0.242 local terms energy: -248.021518 where: bonds (distance) C4'-P energy: -53.812 bonds (distance) P-C4' energy: -48.807 flat angles C4'-P-C4' energy: -55.608 flat angles P-C4'-P energy: -31.129 tors. eta vs tors. theta energy: -58.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -630.630760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.630760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.630760 (E_RNA) where: Base-Base interactions energy: -401.251 where: short stacking energy: -178.897 Base-Backbone interact. energy: -0.340 local terms energy: -229.039163 where: bonds (distance) C4'-P energy: -46.047 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -52.208 flat angles P-C4'-P energy: -30.602 tors. eta vs tors. theta energy: -41.413 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -439.332408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.332408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.332408 (E_RNA) where: Base-Base interactions energy: -253.837 where: short stacking energy: -134.845 Base-Backbone interact. energy: -0.947 local terms energy: -184.547805 where: bonds (distance) C4'-P energy: -40.102 bonds (distance) P-C4' energy: -57.562 flat angles C4'-P-C4' energy: -43.419 flat angles P-C4'-P energy: -19.170 tors. eta vs tors. theta energy: -24.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -300.716486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.716486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.716486 (E_RNA) where: Base-Base interactions energy: -141.062 where: short stacking energy: -86.171 Base-Backbone interact. energy: -0.831 local terms energy: -158.823106 where: bonds (distance) C4'-P energy: -57.116 bonds (distance) P-C4' energy: -37.181 flat angles C4'-P-C4' energy: -42.596 flat angles P-C4'-P energy: -22.018 tors. eta vs tors. theta energy: 0.089 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: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1059.939175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.939175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.939175 (E_RNA) where: Base-Base interactions energy: -734.839 where: short stacking energy: -313.485 Base-Backbone interact. energy: 2.800 local terms energy: -327.900300 where: bonds (distance) C4'-P energy: -55.979 bonds (distance) P-C4' energy: -62.321 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -88.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -966.124321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.124321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.124321 (E_RNA) where: Base-Base interactions energy: -667.331 where: short stacking energy: -289.322 Base-Backbone interact. energy: -1.116 local terms energy: -297.677568 where: bonds (distance) C4'-P energy: -52.165 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -59.029 flat angles P-C4'-P energy: -42.093 tors. eta vs tors. theta energy: -81.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -936.768015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.768015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.768015 (E_RNA) where: Base-Base interactions energy: -652.430 where: short stacking energy: -283.177 Base-Backbone interact. energy: 0.435 local terms energy: -284.772656 where: bonds (distance) C4'-P energy: -54.111 bonds (distance) P-C4' energy: -50.340 flat angles C4'-P-C4' energy: -67.453 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -71.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -905.399186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.399186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.399186 (E_RNA) where: Base-Base interactions energy: -608.418 where: short stacking energy: -278.296 Base-Backbone interact. energy: 0.156 local terms energy: -297.137625 where: bonds (distance) C4'-P energy: -56.663 bonds (distance) P-C4' energy: -49.157 flat angles C4'-P-C4' energy: -70.924 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: -80.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -869.234128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.234128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.234128 (E_RNA) where: Base-Base interactions energy: -582.098 where: short stacking energy: -261.761 Base-Backbone interact. energy: -1.277 local terms energy: -285.859229 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -58.491 flat angles C4'-P-C4' energy: -54.670 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -71.221 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: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -799.240507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.240507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.240507 (E_RNA) where: Base-Base interactions energy: -532.637 where: short stacking energy: -214.498 Base-Backbone interact. energy: 0.777 local terms energy: -267.380204 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -32.473 tors. eta vs tors. theta energy: -58.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -712.750083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.750083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.750083 (E_RNA) where: Base-Base interactions energy: -473.881 where: short stacking energy: -216.125 Base-Backbone interact. energy: -0.391 local terms energy: -238.478550 where: bonds (distance) C4'-P energy: -53.202 bonds (distance) P-C4' energy: -52.685 flat angles C4'-P-C4' energy: -51.436 flat angles P-C4'-P energy: -32.187 tors. eta vs tors. theta energy: -48.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -651.163766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.163766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.163766 (E_RNA) where: Base-Base interactions energy: -432.975 where: short stacking energy: -184.799 Base-Backbone interact. energy: -0.444 local terms energy: -217.744462 where: bonds (distance) C4'-P energy: -56.402 bonds (distance) P-C4' energy: -38.280 flat angles C4'-P-C4' energy: -51.362 flat angles P-C4'-P energy: -33.448 tors. eta vs tors. theta energy: -38.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -401.088595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.088595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.088595 (E_RNA) where: Base-Base interactions energy: -214.455 where: short stacking energy: -118.453 Base-Backbone interact. energy: -0.119 local terms energy: -186.514570 where: bonds (distance) C4'-P energy: -58.134 bonds (distance) P-C4' energy: -48.903 flat angles C4'-P-C4' energy: -51.816 flat angles P-C4'-P energy: -26.004 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -278.621873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.621873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.621873 (E_RNA) where: Base-Base interactions energy: -121.103 where: short stacking energy: -84.064 Base-Backbone interact. energy: -1.106 local terms energy: -156.412569 where: bonds (distance) C4'-P energy: -52.644 bonds (distance) P-C4' energy: -50.466 flat angles C4'-P-C4' energy: -40.229 flat angles P-C4'-P energy: -15.779 tors. eta vs tors. theta energy: 2.706 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: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1070.737416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.737416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.737416 (E_RNA) where: Base-Base interactions energy: -738.463 where: short stacking energy: -313.333 Base-Backbone interact. energy: -0.732 local terms energy: -331.542472 where: bonds (distance) C4'-P energy: -57.322 bonds (distance) P-C4' energy: -61.737 flat angles C4'-P-C4' energy: -71.303 flat angles P-C4'-P energy: -54.578 tors. eta vs tors. theta energy: -86.602 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: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -978.825946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.825946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.825946 (E_RNA) where: Base-Base interactions energy: -679.375 where: short stacking energy: -284.803 Base-Backbone interact. energy: -1.486 local terms energy: -297.965460 where: bonds (distance) C4'-P energy: -45.300 bonds (distance) P-C4' energy: -61.012 flat angles C4'-P-C4' energy: -68.708 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -79.818 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: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -937.344727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.344727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.344727 (E_RNA) where: Base-Base interactions energy: -632.157 where: short stacking energy: -280.451 Base-Backbone interact. energy: -1.372 local terms energy: -303.815366 where: bonds (distance) C4'-P energy: -56.345 bonds (distance) P-C4' energy: -55.236 flat angles C4'-P-C4' energy: -69.035 flat angles P-C4'-P energy: -42.560 tors. eta vs tors. theta energy: -80.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -939.833545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.833545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.833545 (E_RNA) where: Base-Base interactions energy: -645.744 where: short stacking energy: -268.907 Base-Backbone interact. energy: -0.970 local terms energy: -293.120304 where: bonds (distance) C4'-P energy: -59.177 bonds (distance) P-C4' energy: -56.995 flat angles C4'-P-C4' energy: -62.713 flat angles P-C4'-P energy: -36.094 tors. eta vs tors. theta energy: -78.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -851.240913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.240913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.240913 (E_RNA) where: Base-Base interactions energy: -579.758 where: short stacking energy: -244.510 Base-Backbone interact. energy: -0.255 local terms energy: -271.228044 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -52.220 flat angles C4'-P-C4' energy: -59.763 flat angles P-C4'-P energy: -34.239 tors. eta vs tors. theta energy: -67.586 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: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -842.594453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.594453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.594453 (E_RNA) where: Base-Base interactions energy: -571.383 where: short stacking energy: -255.806 Base-Backbone interact. energy: -2.681 local terms energy: -268.530640 where: bonds (distance) C4'-P energy: -56.858 bonds (distance) P-C4' energy: -48.724 flat angles C4'-P-C4' energy: -57.493 flat angles P-C4'-P energy: -32.459 tors. eta vs tors. theta energy: -72.996 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: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -703.101373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.101373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.101373 (E_RNA) where: Base-Base interactions energy: -457.328 where: short stacking energy: -214.342 Base-Backbone interact. energy: -0.474 local terms energy: -245.299584 where: bonds (distance) C4'-P energy: -51.837 bonds (distance) P-C4' energy: -51.487 flat angles C4'-P-C4' energy: -56.263 flat angles P-C4'-P energy: -33.712 tors. eta vs tors. theta energy: -52.000 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: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -625.699975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.699975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.699975 (E_RNA) where: Base-Base interactions energy: -412.159 where: short stacking energy: -182.448 Base-Backbone interact. energy: -1.036 local terms energy: -212.504566 where: bonds (distance) C4'-P energy: -40.447 bonds (distance) P-C4' energy: -54.393 flat angles C4'-P-C4' energy: -48.236 flat angles P-C4'-P energy: -25.733 tors. eta vs tors. theta energy: -43.697 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: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -408.395096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.395096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.395096 (E_RNA) where: Base-Base interactions energy: -227.232 where: short stacking energy: -122.219 Base-Backbone interact. energy: -0.818 local terms energy: -180.344902 where: bonds (distance) C4'-P energy: -38.072 bonds (distance) P-C4' energy: -60.081 flat angles C4'-P-C4' energy: -48.144 flat angles P-C4'-P energy: -19.025 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: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -280.311467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.311467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.311467 (E_RNA) where: Base-Base interactions energy: -130.277 where: short stacking energy: -87.193 Base-Backbone interact. energy: -0.448 local terms energy: -149.586326 where: bonds (distance) C4'-P energy: -45.269 bonds (distance) P-C4' energy: -51.544 flat angles C4'-P-C4' energy: -40.524 flat angles P-C4'-P energy: -22.319 tors. eta vs tors. theta energy: 10.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1062.346034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.346034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.346034 (E_RNA) where: Base-Base interactions energy: -735.756 where: short stacking energy: -326.952 Base-Backbone interact. energy: -0.970 local terms energy: -325.619325 where: bonds (distance) C4'-P energy: -66.082 bonds (distance) P-C4' energy: -53.112 flat angles C4'-P-C4' energy: -69.442 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: -92.157 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: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -963.785080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.785080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.785080 (E_RNA) where: Base-Base interactions energy: -674.064 where: short stacking energy: -282.178 Base-Backbone interact. energy: -1.454 local terms energy: -288.267167 where: bonds (distance) C4'-P energy: -55.078 bonds (distance) P-C4' energy: -54.869 flat angles C4'-P-C4' energy: -60.355 flat angles P-C4'-P energy: -37.438 tors. eta vs tors. theta energy: -80.527 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: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -932.184772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.184772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.184772 (E_RNA) where: Base-Base interactions energy: -621.382 where: short stacking energy: -288.509 Base-Backbone interact. energy: -1.193 local terms energy: -309.609555 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -61.641 flat angles C4'-P-C4' energy: -62.987 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -83.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -921.411866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.411866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.411866 (E_RNA) where: Base-Base interactions energy: -610.035 where: short stacking energy: -277.361 Base-Backbone interact. energy: -1.954 local terms energy: -309.422746 where: bonds (distance) C4'-P energy: -58.668 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -68.677 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -81.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -859.982156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.982156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.982156 (E_RNA) where: Base-Base interactions energy: -579.929 where: short stacking energy: -260.043 Base-Backbone interact. energy: -0.728 local terms energy: -279.325223 where: bonds (distance) C4'-P energy: -56.516 bonds (distance) P-C4' energy: -61.723 flat angles C4'-P-C4' energy: -58.490 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: -67.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -857.727855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.727855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.727855 (E_RNA) where: Base-Base interactions energy: -597.696 where: short stacking energy: -252.161 Base-Backbone interact. energy: -0.018 local terms energy: -260.013955 where: bonds (distance) C4'-P energy: -33.418 bonds (distance) P-C4' energy: -53.615 flat angles C4'-P-C4' energy: -58.553 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -71.100 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: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -718.912793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.912793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.912793 (E_RNA) where: Base-Base interactions energy: -476.448 where: short stacking energy: -209.216 Base-Backbone interact. energy: -1.088 local terms energy: -241.377101 where: bonds (distance) C4'-P energy: -45.673 bonds (distance) P-C4' energy: -44.311 flat angles C4'-P-C4' energy: -60.087 flat angles P-C4'-P energy: -38.572 tors. eta vs tors. theta energy: -52.734 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: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -638.549182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.549182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.549182 (E_RNA) where: Base-Base interactions energy: -441.333 where: short stacking energy: -202.712 Base-Backbone interact. energy: -0.200 local terms energy: -197.016700 where: bonds (distance) C4'-P energy: -48.409 bonds (distance) P-C4' energy: -32.962 flat angles C4'-P-C4' energy: -54.970 flat angles P-C4'-P energy: -22.313 tors. eta vs tors. theta energy: -38.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -410.033445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.033445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.033445 (E_RNA) where: Base-Base interactions energy: -234.351 where: short stacking energy: -122.081 Base-Backbone interact. energy: 0.643 local terms energy: -176.324800 where: bonds (distance) C4'-P energy: -38.910 bonds (distance) P-C4' energy: -51.894 flat angles C4'-P-C4' energy: -44.341 flat angles P-C4'-P energy: -40.276 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -273.098183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.098183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.098183 (E_RNA) where: Base-Base interactions energy: -104.075 where: short stacking energy: -75.539 Base-Backbone interact. energy: -1.468 local terms energy: -167.555999 where: bonds (distance) C4'-P energy: -40.470 bonds (distance) P-C4' energy: -61.949 flat angles C4'-P-C4' energy: -43.904 flat angles P-C4'-P energy: -24.714 tors. eta vs tors. theta energy: 3.480 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: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1043.245420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.245420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.245420 (E_RNA) where: Base-Base interactions energy: -723.547 where: short stacking energy: -306.656 Base-Backbone interact. energy: 0.525 local terms energy: -320.222858 where: bonds (distance) C4'-P energy: -60.845 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -68.850 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: -89.131 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: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -977.143255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.143255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.143255 (E_RNA) where: Base-Base interactions energy: -648.291 where: short stacking energy: -289.834 Base-Backbone interact. energy: -1.401 local terms energy: -327.452024 where: bonds (distance) C4'-P energy: -59.709 bonds (distance) P-C4' energy: -68.836 flat angles C4'-P-C4' energy: -72.474 flat angles P-C4'-P energy: -39.869 tors. eta vs tors. theta energy: -86.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -945.238925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.238925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.238925 (E_RNA) where: Base-Base interactions energy: -648.030 where: short stacking energy: -288.977 Base-Backbone interact. energy: -0.291 local terms energy: -296.918215 where: bonds (distance) C4'-P energy: -60.143 bonds (distance) P-C4' energy: -55.201 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -73.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -929.466069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.466069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.466069 (E_RNA) where: Base-Base interactions energy: -631.157 where: short stacking energy: -279.136 Base-Backbone interact. energy: 6.088 local terms energy: -304.396770 where: bonds (distance) C4'-P energy: -54.251 bonds (distance) P-C4' energy: -62.476 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -40.974 tors. eta vs tors. theta energy: -79.237 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: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -877.140058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.140058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.140058 (E_RNA) where: Base-Base interactions energy: -603.915 where: short stacking energy: -265.207 Base-Backbone interact. energy: -0.914 local terms energy: -272.311362 where: bonds (distance) C4'-P energy: -55.683 bonds (distance) P-C4' energy: -52.482 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -37.507 tors. eta vs tors. theta energy: -66.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -824.443930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.443930 (E_RNA) where: Base-Base interactions energy: -555.915 where: short stacking energy: -240.003 Base-Backbone interact. energy: 1.075 local terms energy: -269.604039 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -47.894 flat angles C4'-P-C4' energy: -57.474 flat angles P-C4'-P energy: -36.836 tors. eta vs tors. theta energy: -71.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -729.366707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.366707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.366707 (E_RNA) where: Base-Base interactions energy: -503.579 where: short stacking energy: -217.540 Base-Backbone interact. energy: -1.012 local terms energy: -224.775626 where: bonds (distance) C4'-P energy: -52.269 bonds (distance) P-C4' energy: -41.345 flat angles C4'-P-C4' energy: -53.209 flat angles P-C4'-P energy: -28.697 tors. eta vs tors. theta energy: -49.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -637.570748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.570748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.570748 (E_RNA) where: Base-Base interactions energy: -409.003 where: short stacking energy: -186.339 Base-Backbone interact. energy: -1.496 local terms energy: -227.071796 where: bonds (distance) C4'-P energy: -47.105 bonds (distance) P-C4' energy: -55.088 flat angles C4'-P-C4' energy: -50.022 flat angles P-C4'-P energy: -36.563 tors. eta vs tors. theta energy: -38.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -397.959746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.959746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.959746 (E_RNA) where: Base-Base interactions energy: -223.658 where: short stacking energy: -134.839 Base-Backbone interact. energy: -2.077 local terms energy: -172.225435 where: bonds (distance) C4'-P energy: -51.110 bonds (distance) P-C4' energy: -42.030 flat angles C4'-P-C4' energy: -48.554 flat angles P-C4'-P energy: -18.891 tors. eta vs tors. theta energy: -11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -307.008656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.008656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.008656 (E_RNA) where: Base-Base interactions energy: -140.982 where: short stacking energy: -104.377 Base-Backbone interact. energy: -1.023 local terms energy: -165.003351 where: bonds (distance) C4'-P energy: -43.806 bonds (distance) P-C4' energy: -51.127 flat angles C4'-P-C4' energy: -43.862 flat angles P-C4'-P energy: -23.375 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1070.109252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.109252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.109252 (E_RNA) where: Base-Base interactions energy: -730.990 where: short stacking energy: -309.038 Base-Backbone interact. energy: 0.343 local terms energy: -339.462452 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -64.302 flat angles C4'-P-C4' energy: -68.519 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -94.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1000.103452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.103452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.103452 (E_RNA) where: Base-Base interactions energy: -688.303 where: short stacking energy: -280.934 Base-Backbone interact. energy: 1.083 local terms energy: -312.883096 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -64.105 flat angles C4'-P-C4' energy: -67.524 flat angles P-C4'-P energy: -42.790 tors. eta vs tors. theta energy: -79.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -963.390790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.390790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.390790 (E_RNA) where: Base-Base interactions energy: -654.582 where: short stacking energy: -295.644 Base-Backbone interact. energy: -2.620 local terms energy: -306.188403 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -83.000 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: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -892.034736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.034736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.034736 (E_RNA) where: Base-Base interactions energy: -625.601 where: short stacking energy: -273.046 Base-Backbone interact. energy: 0.242 local terms energy: -266.675698 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -43.030 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -69.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -838.397953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.397953 (E_RNA) where: Base-Base interactions energy: -573.837 where: short stacking energy: -233.031 Base-Backbone interact. energy: 3.741 local terms energy: -268.302552 where: bonds (distance) C4'-P energy: -55.800 bonds (distance) P-C4' energy: -57.843 flat angles C4'-P-C4' energy: -57.836 flat angles P-C4'-P energy: -32.523 tors. eta vs tors. theta energy: -64.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -836.039996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.039996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.039996 (E_RNA) where: Base-Base interactions energy: -573.049 where: short stacking energy: -226.993 Base-Backbone interact. energy: 1.086 local terms energy: -264.076839 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -51.323 flat angles C4'-P-C4' energy: -49.641 flat angles P-C4'-P energy: -41.445 tors. eta vs tors. theta energy: -64.881 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: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -718.418576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.418576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.418576 (E_RNA) where: Base-Base interactions energy: -473.304 where: short stacking energy: -230.196 Base-Backbone interact. energy: 1.628 local terms energy: -246.742473 where: bonds (distance) C4'-P energy: -46.158 bonds (distance) P-C4' energy: -57.491 flat angles C4'-P-C4' energy: -53.160 flat angles P-C4'-P energy: -31.671 tors. eta vs tors. theta energy: -58.263 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: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -619.805062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.805062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.805062 (E_RNA) where: Base-Base interactions energy: -433.565 where: short stacking energy: -190.795 Base-Backbone interact. energy: 0.427 local terms energy: -186.667312 where: bonds (distance) C4'-P energy: -27.008 bonds (distance) P-C4' energy: -55.124 flat angles C4'-P-C4' energy: -50.055 flat angles P-C4'-P energy: -23.161 tors. eta vs tors. theta energy: -31.319 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: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -423.163947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.163947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.163947 (E_RNA) where: Base-Base interactions energy: -239.935 where: short stacking energy: -122.781 Base-Backbone interact. energy: -2.512 local terms energy: -180.716619 where: bonds (distance) C4'-P energy: -43.878 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -52.441 flat angles P-C4'-P energy: -21.433 tors. eta vs tors. theta energy: -9.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -320.082681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.082681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.082681 (E_RNA) where: Base-Base interactions energy: -146.186 where: short stacking energy: -70.880 Base-Backbone interact. energy: 0.096 local terms energy: -173.991946 where: bonds (distance) C4'-P energy: -57.155 bonds (distance) P-C4' energy: -48.597 flat angles C4'-P-C4' energy: -48.660 flat angles P-C4'-P energy: -23.613 tors. eta vs tors. theta energy: 4.033 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: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1053.952216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.952216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.952216 (E_RNA) where: Base-Base interactions energy: -734.797 where: short stacking energy: -307.909 Base-Backbone interact. energy: -1.940 local terms energy: -317.215675 where: bonds (distance) C4'-P energy: -54.555 bonds (distance) P-C4' energy: -65.411 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: -90.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -976.044056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.044056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.044056 (E_RNA) where: Base-Base interactions energy: -669.151 where: short stacking energy: -298.273 Base-Backbone interact. energy: -0.569 local terms energy: -306.323466 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -51.104 flat angles C4'-P-C4' energy: -66.189 flat angles P-C4'-P energy: -40.470 tors. eta vs tors. theta energy: -85.178 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: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -945.886118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.886118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.886118 (E_RNA) where: Base-Base interactions energy: -639.710 where: short stacking energy: -285.497 Base-Backbone interact. energy: -1.607 local terms energy: -304.569999 where: bonds (distance) C4'-P energy: -55.766 bonds (distance) P-C4' energy: -59.612 flat angles C4'-P-C4' energy: -60.432 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -81.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -865.274411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.274411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.274411 (E_RNA) where: Base-Base interactions energy: -583.079 where: short stacking energy: -263.698 Base-Backbone interact. energy: -0.750 local terms energy: -281.445432 where: bonds (distance) C4'-P energy: -57.022 bonds (distance) P-C4' energy: -40.587 flat angles C4'-P-C4' energy: -67.114 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -75.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -841.287089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.287089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.287089 (E_RNA) where: Base-Base interactions energy: -570.674 where: short stacking energy: -244.128 Base-Backbone interact. energy: 1.481 local terms energy: -272.093269 where: bonds (distance) C4'-P energy: -62.497 bonds (distance) P-C4' energy: -52.822 flat angles C4'-P-C4' energy: -52.530 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -67.982 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: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -855.859967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.859967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.859967 (E_RNA) where: Base-Base interactions energy: -599.267 where: short stacking energy: -270.039 Base-Backbone interact. energy: 5.049 local terms energy: -261.642088 where: bonds (distance) C4'-P energy: -47.648 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -57.961 flat angles P-C4'-P energy: -24.534 tors. eta vs tors. theta energy: -76.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -720.374754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.374754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.374754 (E_RNA) where: Base-Base interactions energy: -488.308 where: short stacking energy: -216.521 Base-Backbone interact. energy: -0.289 local terms energy: -231.778059 where: bonds (distance) C4'-P energy: -42.320 bonds (distance) P-C4' energy: -52.309 flat angles C4'-P-C4' energy: -48.686 flat angles P-C4'-P energy: -33.009 tors. eta vs tors. theta energy: -55.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -640.289490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.289490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.289490 (E_RNA) where: Base-Base interactions energy: -417.262 where: short stacking energy: -180.838 Base-Backbone interact. energy: 0.009 local terms energy: -223.036729 where: bonds (distance) C4'-P energy: -54.761 bonds (distance) P-C4' energy: -53.434 flat angles C4'-P-C4' energy: -46.701 flat angles P-C4'-P energy: -38.594 tors. eta vs tors. theta energy: -29.547 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -414.862405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.862405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.862405 (E_RNA) where: Base-Base interactions energy: -229.082 where: short stacking energy: -123.677 Base-Backbone interact. energy: -0.596 local terms energy: -185.183798 where: bonds (distance) C4'-P energy: -38.657 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -50.143 flat angles P-C4'-P energy: -25.053 tors. eta vs tors. theta energy: -17.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -314.274316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.274316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.274316 (E_RNA) where: Base-Base interactions energy: -151.521 where: short stacking energy: -97.558 Base-Backbone interact. energy: -0.738 local terms energy: -162.015713 where: bonds (distance) C4'-P energy: -43.114 bonds (distance) P-C4' energy: -45.114 flat angles C4'-P-C4' energy: -46.584 flat angles P-C4'-P energy: -29.206 tors. eta vs tors. theta energy: 2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1065.075604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.075604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.075604 (E_RNA) where: Base-Base interactions energy: -756.211 where: short stacking energy: -332.821 Base-Backbone interact. energy: -1.142 local terms energy: -307.722543 where: bonds (distance) C4'-P energy: -61.309 bonds (distance) P-C4' energy: -52.456 flat angles C4'-P-C4' energy: -63.549 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -91.817 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: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -987.058272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.058272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.058272 (E_RNA) where: Base-Base interactions energy: -673.002 where: short stacking energy: -296.671 Base-Backbone interact. energy: -1.841 local terms energy: -312.215877 where: bonds (distance) C4'-P energy: -59.811 bonds (distance) P-C4' energy: -59.433 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -43.485 tors. eta vs tors. theta energy: -84.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -920.705371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.705371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.705371 (E_RNA) where: Base-Base interactions energy: -612.828 where: short stacking energy: -279.430 Base-Backbone interact. energy: -1.260 local terms energy: -306.617973 where: bonds (distance) C4'-P energy: -59.845 bonds (distance) P-C4' energy: -63.048 flat angles C4'-P-C4' energy: -61.641 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -81.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -939.665656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.665656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.665656 (E_RNA) where: Base-Base interactions energy: -644.345 where: short stacking energy: -274.462 Base-Backbone interact. energy: -2.580 local terms energy: -292.740759 where: bonds (distance) C4'-P energy: -55.981 bonds (distance) P-C4' energy: -54.077 flat angles C4'-P-C4' energy: -59.192 flat angles P-C4'-P energy: -47.844 tors. eta vs tors. theta energy: -75.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -845.431071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.431071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.431071 (E_RNA) where: Base-Base interactions energy: -580.702 where: short stacking energy: -253.246 Base-Backbone interact. energy: 0.549 local terms energy: -265.278245 where: bonds (distance) C4'-P energy: -46.533 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -59.275 flat angles P-C4'-P energy: -33.308 tors. eta vs tors. theta energy: -69.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -838.322702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.322702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.322702 (E_RNA) where: Base-Base interactions energy: -570.394 where: short stacking energy: -242.777 Base-Backbone interact. energy: -0.368 local terms energy: -267.560519 where: bonds (distance) C4'-P energy: -48.310 bonds (distance) P-C4' energy: -54.046 flat angles C4'-P-C4' energy: -61.323 flat angles P-C4'-P energy: -30.955 tors. eta vs tors. theta energy: -72.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -671.084754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.084754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.084754 (E_RNA) where: Base-Base interactions energy: -435.579 where: short stacking energy: -178.332 Base-Backbone interact. energy: -0.540 local terms energy: -234.965734 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -48.183 flat angles C4'-P-C4' energy: -56.480 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: -31.818 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: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -744.655804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.655804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.655804 (E_RNA) where: Base-Base interactions energy: -504.591 where: short stacking energy: -231.011 Base-Backbone interact. energy: 4.872 local terms energy: -244.937467 where: bonds (distance) C4'-P energy: -48.894 bonds (distance) P-C4' energy: -48.755 flat angles C4'-P-C4' energy: -45.824 flat angles P-C4'-P energy: -34.283 tors. eta vs tors. theta energy: -67.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -404.744401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.744401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.744401 (E_RNA) where: Base-Base interactions energy: -223.330 where: short stacking energy: -138.870 Base-Backbone interact. energy: 0.340 local terms energy: -181.754960 where: bonds (distance) C4'-P energy: -36.788 bonds (distance) P-C4' energy: -50.381 flat angles C4'-P-C4' energy: -45.097 flat angles P-C4'-P energy: -24.888 tors. eta vs tors. theta energy: -24.601 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: 158 Temperature: 1.350000 Total energy: -309.976430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.976430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.976430 (E_RNA) where: Base-Base interactions energy: -147.308 where: short stacking energy: -98.685 Base-Backbone interact. energy: 2.792 local terms energy: -165.460215 where: bonds (distance) C4'-P energy: -40.463 bonds (distance) P-C4' energy: -54.727 flat angles C4'-P-C4' energy: -48.363 flat angles P-C4'-P energy: -16.573 tors. eta vs tors. theta energy: -5.333 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: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1061.600912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.600912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.600912 (E_RNA) where: Base-Base interactions energy: -745.775 where: short stacking energy: -325.179 Base-Backbone interact. energy: -0.909 local terms energy: -314.917116 where: bonds (distance) C4'-P energy: -54.290 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -71.103 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -87.446 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: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -984.485657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.485657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.485657 (E_RNA) where: Base-Base interactions energy: -665.402 where: short stacking energy: -286.954 Base-Backbone interact. energy: -0.251 local terms energy: -318.832395 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -59.786 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -44.285 tors. eta vs tors. theta energy: -84.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -895.723443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.723443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.723443 (E_RNA) where: Base-Base interactions energy: -614.714 where: short stacking energy: -284.482 Base-Backbone interact. energy: -0.868 local terms energy: -280.141842 where: bonds (distance) C4'-P energy: -52.059 bonds (distance) P-C4' energy: -53.384 flat angles C4'-P-C4' energy: -66.255 flat angles P-C4'-P energy: -31.685 tors. eta vs tors. theta energy: -76.758 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: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -929.692453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.692453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.692453 (E_RNA) where: Base-Base interactions energy: -636.379 where: short stacking energy: -278.574 Base-Backbone interact. energy: -1.391 local terms energy: -291.922186 where: bonds (distance) C4'-P energy: -62.836 bonds (distance) P-C4' energy: -52.542 flat angles C4'-P-C4' energy: -63.399 flat angles P-C4'-P energy: -33.887 tors. eta vs tors. theta energy: -79.259 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: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -856.253542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.253542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.253542 (E_RNA) where: Base-Base interactions energy: -580.156 where: short stacking energy: -250.171 Base-Backbone interact. energy: -1.222 local terms energy: -274.875163 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -60.059 flat angles C4'-P-C4' energy: -60.202 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -65.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -842.973614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.973614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.973614 (E_RNA) where: Base-Base interactions energy: -584.973 where: short stacking energy: -265.246 Base-Backbone interact. energy: 4.255 local terms energy: -262.255199 where: bonds (distance) C4'-P energy: -45.892 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -25.088 tors. eta vs tors. theta energy: -73.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -666.924996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.924996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.924996 (E_RNA) where: Base-Base interactions energy: -440.353 where: short stacking energy: -168.895 Base-Backbone interact. energy: -1.371 local terms energy: -225.200978 where: bonds (distance) C4'-P energy: -50.125 bonds (distance) P-C4' energy: -50.331 flat angles C4'-P-C4' energy: -51.178 flat angles P-C4'-P energy: -34.723 tors. eta vs tors. theta energy: -38.844 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -735.792422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.792422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.792422 (E_RNA) where: Base-Base interactions energy: -493.345 where: short stacking energy: -231.539 Base-Backbone interact. energy: -1.922 local terms energy: -240.525552 where: bonds (distance) C4'-P energy: -44.515 bonds (distance) P-C4' energy: -48.368 flat angles C4'-P-C4' energy: -56.275 flat angles P-C4'-P energy: -32.718 tors. eta vs tors. theta energy: -58.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -437.988779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.988779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.988779 (E_RNA) where: Base-Base interactions energy: -245.880 where: short stacking energy: -129.520 Base-Backbone interact. energy: -1.318 local terms energy: -190.791095 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -39.390 flat angles C4'-P-C4' energy: -47.035 flat angles P-C4'-P energy: -32.315 tors. eta vs tors. theta energy: -19.476 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: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -257.870459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.870459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.870459 (E_RNA) where: Base-Base interactions energy: -95.336 where: short stacking energy: -68.695 Base-Backbone interact. energy: 2.586 local terms energy: -165.120094 where: bonds (distance) C4'-P energy: -46.819 bonds (distance) P-C4' energy: -49.061 flat angles C4'-P-C4' energy: -49.161 flat angles P-C4'-P energy: -35.091 tors. eta vs tors. theta energy: 15.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1039.170061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.170061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.170061 (E_RNA) where: Base-Base interactions energy: -745.188 where: short stacking energy: -315.649 Base-Backbone interact. energy: -2.011 local terms energy: -291.970618 where: bonds (distance) C4'-P energy: -48.963 bonds (distance) P-C4' energy: -48.749 flat angles C4'-P-C4' energy: -61.811 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -90.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -963.488986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.488986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.488986 (E_RNA) where: Base-Base interactions energy: -660.799 where: short stacking energy: -288.793 Base-Backbone interact. energy: -1.941 local terms energy: -300.749621 where: bonds (distance) C4'-P energy: -52.882 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -63.143 flat angles P-C4'-P energy: -41.819 tors. eta vs tors. theta energy: -81.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -962.358339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.358339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.358339 (E_RNA) where: Base-Base interactions energy: -667.436 where: short stacking energy: -272.861 Base-Backbone interact. energy: 2.263 local terms energy: -297.186019 where: bonds (distance) C4'-P energy: -59.675 bonds (distance) P-C4' energy: -53.858 flat angles C4'-P-C4' energy: -61.747 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: -79.809 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: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -872.599482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.599482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.599482 (E_RNA) where: Base-Base interactions energy: -597.547 where: short stacking energy: -255.765 Base-Backbone interact. energy: -2.046 local terms energy: -273.006541 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -52.111 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -68.556 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: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -877.590148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.590148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.590148 (E_RNA) where: Base-Base interactions energy: -590.779 where: short stacking energy: -266.279 Base-Backbone interact. energy: -0.832 local terms energy: -285.978803 where: bonds (distance) C4'-P energy: -47.200 bonds (distance) P-C4' energy: -56.218 flat angles C4'-P-C4' energy: -68.449 flat angles P-C4'-P energy: -38.022 tors. eta vs tors. theta energy: -76.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -849.801242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.801242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.801242 (E_RNA) where: Base-Base interactions energy: -585.180 where: short stacking energy: -242.000 Base-Backbone interact. energy: -5.568 local terms energy: -259.053054 where: bonds (distance) C4'-P energy: -36.925 bonds (distance) P-C4' energy: -52.350 flat angles C4'-P-C4' energy: -61.775 flat angles P-C4'-P energy: -42.525 tors. eta vs tors. theta energy: -65.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -730.668719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.668719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.668719 (E_RNA) where: Base-Base interactions energy: -478.691 where: short stacking energy: -218.381 Base-Backbone interact. energy: -1.211 local terms energy: -250.766956 where: bonds (distance) C4'-P energy: -49.508 bonds (distance) P-C4' energy: -57.280 flat angles C4'-P-C4' energy: -48.950 flat angles P-C4'-P energy: -38.297 tors. eta vs tors. theta energy: -56.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -624.522352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.522352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.522352 (E_RNA) where: Base-Base interactions energy: -393.401 where: short stacking energy: -164.087 Base-Backbone interact. energy: -2.763 local terms energy: -228.357708 where: bonds (distance) C4'-P energy: -49.114 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -56.473 flat angles P-C4'-P energy: -35.690 tors. eta vs tors. theta energy: -28.447 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: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -394.056337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.056337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.056337 (E_RNA) where: Base-Base interactions energy: -218.822 where: short stacking energy: -103.163 Base-Backbone interact. energy: -0.997 local terms energy: -174.237760 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -39.110 flat angles C4'-P-C4' energy: -37.829 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: -8.319 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: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -251.324080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.324080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.324080 (E_RNA) where: Base-Base interactions energy: -96.643 where: short stacking energy: -85.634 Base-Backbone interact. energy: 2.463 local terms energy: -157.144436 where: bonds (distance) C4'-P energy: -46.574 bonds (distance) P-C4' energy: -48.785 flat angles C4'-P-C4' energy: -36.278 flat angles P-C4'-P energy: -27.951 tors. eta vs tors. theta energy: 2.443 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: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1059.619252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.619252 (E_RNA) where: Base-Base interactions energy: -745.957 where: short stacking energy: -325.514 Base-Backbone interact. energy: 0.373 local terms energy: -314.034974 where: bonds (distance) C4'-P energy: -53.729 bonds (distance) P-C4' energy: -59.542 flat angles C4'-P-C4' energy: -71.102 flat angles P-C4'-P energy: -37.513 tors. eta vs tors. theta energy: -92.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -958.634198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.634198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.634198 (E_RNA) where: Base-Base interactions energy: -660.578 where: short stacking energy: -282.291 Base-Backbone interact. energy: 1.999 local terms energy: -300.055312 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -55.035 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: -80.409 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: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -923.297545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.297545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.297545 (E_RNA) where: Base-Base interactions energy: -625.835 where: short stacking energy: -265.640 Base-Backbone interact. energy: -0.697 local terms energy: -296.765864 where: bonds (distance) C4'-P energy: -61.345 bonds (distance) P-C4' energy: -65.847 flat angles C4'-P-C4' energy: -60.991 flat angles P-C4'-P energy: -37.003 tors. eta vs tors. theta energy: -71.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -888.429112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.429112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.429112 (E_RNA) where: Base-Base interactions energy: -594.754 where: short stacking energy: -268.222 Base-Backbone interact. energy: 0.431 local terms energy: -294.106405 where: bonds (distance) C4'-P energy: -51.180 bonds (distance) P-C4' energy: -54.966 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: -83.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -844.515257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.515257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.515257 (E_RNA) where: Base-Base interactions energy: -567.586 where: short stacking energy: -247.793 Base-Backbone interact. energy: -1.426 local terms energy: -275.503383 where: bonds (distance) C4'-P energy: -51.324 bonds (distance) P-C4' energy: -46.529 flat angles C4'-P-C4' energy: -63.948 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -77.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -816.559067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.559067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.559067 (E_RNA) where: Base-Base interactions energy: -581.223 where: short stacking energy: -243.521 Base-Backbone interact. energy: 0.356 local terms energy: -235.692145 where: bonds (distance) C4'-P energy: -45.608 bonds (distance) P-C4' energy: -60.614 flat angles C4'-P-C4' energy: -40.358 flat angles P-C4'-P energy: -30.858 tors. eta vs tors. theta energy: -58.254 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: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -732.399963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.399963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.399963 (E_RNA) where: Base-Base interactions energy: -481.639 where: short stacking energy: -218.959 Base-Backbone interact. energy: -0.485 local terms energy: -250.275955 where: bonds (distance) C4'-P energy: -51.208 bonds (distance) P-C4' energy: -54.886 flat angles C4'-P-C4' energy: -59.647 flat angles P-C4'-P energy: -28.017 tors. eta vs tors. theta energy: -56.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -637.930878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.930878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.930878 (E_RNA) where: Base-Base interactions energy: -430.169 where: short stacking energy: -199.275 Base-Backbone interact. energy: 3.674 local terms energy: -211.436502 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -55.808 flat angles C4'-P-C4' energy: -37.098 flat angles P-C4'-P energy: -28.354 tors. eta vs tors. theta energy: -37.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -489.225684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.225684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.225684 (E_RNA) where: Base-Base interactions energy: -296.484 where: short stacking energy: -142.406 Base-Backbone interact. energy: -0.299 local terms energy: -192.442224 where: bonds (distance) C4'-P energy: -43.093 bonds (distance) P-C4' energy: -53.080 flat angles C4'-P-C4' energy: -49.401 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: -10.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -272.640261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.640261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.640261 (E_RNA) where: Base-Base interactions energy: -101.471 where: short stacking energy: -90.374 Base-Backbone interact. energy: 0.833 local terms energy: -172.001670 where: bonds (distance) C4'-P energy: -55.353 bonds (distance) P-C4' energy: -54.667 flat angles C4'-P-C4' energy: -37.496 flat angles P-C4'-P energy: -32.917 tors. eta vs tors. theta energy: 8.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1039.518813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.518813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.518813 (E_RNA) where: Base-Base interactions energy: -725.490 where: short stacking energy: -312.387 Base-Backbone interact. energy: -0.914 local terms energy: -313.114248 where: bonds (distance) C4'-P energy: -58.102 bonds (distance) P-C4' energy: -59.442 flat angles C4'-P-C4' energy: -63.002 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -84.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -965.694011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.694011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.694011 (E_RNA) where: Base-Base interactions energy: -674.393 where: short stacking energy: -284.405 Base-Backbone interact. energy: -1.496 local terms energy: -289.805194 where: bonds (distance) C4'-P energy: -58.188 bonds (distance) P-C4' energy: -53.921 flat angles C4'-P-C4' energy: -60.492 flat angles P-C4'-P energy: -35.516 tors. eta vs tors. theta energy: -81.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -894.556719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.556719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.556719 (E_RNA) where: Base-Base interactions energy: -593.883 where: short stacking energy: -275.291 Base-Backbone interact. energy: -0.943 local terms energy: -299.730253 where: bonds (distance) C4'-P energy: -49.206 bonds (distance) P-C4' energy: -65.307 flat angles C4'-P-C4' energy: -65.048 flat angles P-C4'-P energy: -47.275 tors. eta vs tors. theta energy: -72.894 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: 162 Temperature: 1.050000 Total energy: -868.940259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.940259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.940259 (E_RNA) where: Base-Base interactions energy: -601.484 where: short stacking energy: -256.211 Base-Backbone interact. energy: 0.159 local terms energy: -267.615253 where: bonds (distance) C4'-P energy: -50.342 bonds (distance) P-C4' energy: -58.828 flat angles C4'-P-C4' energy: -53.350 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: -71.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -853.850648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.850648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.850648 (E_RNA) where: Base-Base interactions energy: -600.160 where: short stacking energy: -260.561 Base-Backbone interact. energy: -0.735 local terms energy: -252.956144 where: bonds (distance) C4'-P energy: -43.134 bonds (distance) P-C4' energy: -46.609 flat angles C4'-P-C4' energy: -57.722 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: -65.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -787.243676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.243676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.243676 (E_RNA) where: Base-Base interactions energy: -553.550 where: short stacking energy: -217.646 Base-Backbone interact. energy: 0.958 local terms energy: -234.651835 where: bonds (distance) C4'-P energy: -56.962 bonds (distance) P-C4' energy: -51.484 flat angles C4'-P-C4' energy: -50.568 flat angles P-C4'-P energy: -31.569 tors. eta vs tors. theta energy: -44.069 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: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -664.113831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.113831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.113831 (E_RNA) where: Base-Base interactions energy: -435.191 where: short stacking energy: -193.152 Base-Backbone interact. energy: 1.112 local terms energy: -230.034600 where: bonds (distance) C4'-P energy: -49.607 bonds (distance) P-C4' energy: -42.511 flat angles C4'-P-C4' energy: -55.802 flat angles P-C4'-P energy: -38.786 tors. eta vs tors. theta energy: -43.328 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: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -660.352873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.352873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.352873 (E_RNA) where: Base-Base interactions energy: -434.002 where: short stacking energy: -203.229 Base-Backbone interact. energy: -2.899 local terms energy: -223.451834 where: bonds (distance) C4'-P energy: -46.379 bonds (distance) P-C4' energy: -43.892 flat angles C4'-P-C4' energy: -52.033 flat angles P-C4'-P energy: -35.844 tors. eta vs tors. theta energy: -45.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -493.122091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.122091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.122091 (E_RNA) where: Base-Base interactions energy: -291.320 where: short stacking energy: -131.024 Base-Backbone interact. energy: -0.121 local terms energy: -201.681590 where: bonds (distance) C4'-P energy: -55.946 bonds (distance) P-C4' energy: -52.738 flat angles C4'-P-C4' energy: -45.866 flat angles P-C4'-P energy: -25.595 tors. eta vs tors. theta energy: -21.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -264.756003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.756003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.756003 (E_RNA) where: Base-Base interactions energy: -104.497 where: short stacking energy: -86.812 Base-Backbone interact. energy: 0.172 local terms energy: -160.430824 where: bonds (distance) C4'-P energy: -38.140 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -34.613 flat angles P-C4'-P energy: -20.703 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1056.121803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.121803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.121803 (E_RNA) where: Base-Base interactions energy: -734.791 where: short stacking energy: -315.495 Base-Backbone interact. energy: -1.466 local terms energy: -319.864995 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -61.401 flat angles C4'-P-C4' energy: -68.895 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -90.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -985.641258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.641258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.641258 (E_RNA) where: Base-Base interactions energy: -675.463 where: short stacking energy: -293.173 Base-Backbone interact. energy: -0.447 local terms energy: -309.731199 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -58.066 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -91.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -904.868414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.868414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.868414 (E_RNA) where: Base-Base interactions energy: -598.286 where: short stacking energy: -267.508 Base-Backbone interact. energy: 0.502 local terms energy: -307.084724 where: bonds (distance) C4'-P energy: -57.070 bonds (distance) P-C4' energy: -66.409 flat angles C4'-P-C4' energy: -62.977 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -77.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -894.474182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.474182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.474182 (E_RNA) where: Base-Base interactions energy: -602.060 where: short stacking energy: -261.670 Base-Backbone interact. energy: -1.728 local terms energy: -290.686008 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -52.615 flat angles C4'-P-C4' energy: -59.725 flat angles P-C4'-P energy: -44.830 tors. eta vs tors. theta energy: -74.789 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: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -877.615236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.615236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.615236 (E_RNA) where: Base-Base interactions energy: -597.244 where: short stacking energy: -273.323 Base-Backbone interact. energy: -0.432 local terms energy: -279.939219 where: bonds (distance) C4'-P energy: -53.825 bonds (distance) P-C4' energy: -50.205 flat angles C4'-P-C4' energy: -62.499 flat angles P-C4'-P energy: -38.978 tors. eta vs tors. theta energy: -74.433 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: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -800.804934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.804934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.804934 (E_RNA) where: Base-Base interactions energy: -533.926 where: short stacking energy: -227.328 Base-Backbone interact. energy: -0.831 local terms energy: -266.048585 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -48.403 flat angles C4'-P-C4' energy: -54.100 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -67.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -664.911714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.911714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.911714 (E_RNA) where: Base-Base interactions energy: -421.430 where: short stacking energy: -192.778 Base-Backbone interact. energy: 1.123 local terms energy: -244.604871 where: bonds (distance) C4'-P energy: -53.477 bonds (distance) P-C4' energy: -53.900 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -32.495 tors. eta vs tors. theta energy: -43.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -672.430436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.430436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.430436 (E_RNA) where: Base-Base interactions energy: -448.281 where: short stacking energy: -189.571 Base-Backbone interact. energy: -0.768 local terms energy: -223.380898 where: bonds (distance) C4'-P energy: -43.457 bonds (distance) P-C4' energy: -42.050 flat angles C4'-P-C4' energy: -52.599 flat angles P-C4'-P energy: -30.285 tors. eta vs tors. theta energy: -54.990 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: 163 Temperature: 1.300000 Total energy: -487.272720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.272720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.272720 (E_RNA) where: Base-Base interactions energy: -277.953 where: short stacking energy: -113.669 Base-Backbone interact. energy: 0.651 local terms energy: -209.970198 where: bonds (distance) C4'-P energy: -49.662 bonds (distance) P-C4' energy: -54.435 flat angles C4'-P-C4' energy: -47.684 flat angles P-C4'-P energy: -34.258 tors. eta vs tors. theta energy: -23.931 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: 163 Temperature: 1.350000 Total energy: -278.822114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.822114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.822114 (E_RNA) where: Base-Base interactions energy: -113.877 where: short stacking energy: -95.873 Base-Backbone interact. energy: -0.932 local terms energy: -164.013118 where: bonds (distance) C4'-P energy: -54.450 bonds (distance) P-C4' energy: -44.016 flat angles C4'-P-C4' energy: -45.793 flat angles P-C4'-P energy: -23.290 tors. eta vs tors. theta energy: 3.536 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: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1040.587669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.587669 (E_RNA) where: Base-Base interactions energy: -721.274 where: short stacking energy: -319.431 Base-Backbone interact. energy: -2.510 local terms energy: -316.803497 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -57.682 flat angles C4'-P-C4' energy: -68.507 flat angles P-C4'-P energy: -40.002 tors. eta vs tors. theta energy: -93.650 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: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -965.625459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.625459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.625459 (E_RNA) where: Base-Base interactions energy: -648.502 where: short stacking energy: -287.829 Base-Backbone interact. energy: -1.493 local terms energy: -315.630534 where: bonds (distance) C4'-P energy: -62.398 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -62.879 flat angles P-C4'-P energy: -47.248 tors. eta vs tors. theta energy: -77.735 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: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -964.384827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.384827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.384827 (E_RNA) where: Base-Base interactions energy: -661.564 where: short stacking energy: -284.555 Base-Backbone interact. energy: -0.156 local terms energy: -302.664922 where: bonds (distance) C4'-P energy: -61.172 bonds (distance) P-C4' energy: -61.421 flat angles C4'-P-C4' energy: -57.851 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -84.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -878.526919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.526919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.526919 (E_RNA) where: Base-Base interactions energy: -601.819 where: short stacking energy: -263.028 Base-Backbone interact. energy: -0.814 local terms energy: -275.894488 where: bonds (distance) C4'-P energy: -50.734 bonds (distance) P-C4' energy: -52.199 flat angles C4'-P-C4' energy: -57.502 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -74.089 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: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -914.228614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.228614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.228614 (E_RNA) where: Base-Base interactions energy: -615.715 where: short stacking energy: -271.679 Base-Backbone interact. energy: -1.189 local terms energy: -297.324474 where: bonds (distance) C4'-P energy: -57.722 bonds (distance) P-C4' energy: -52.741 flat angles C4'-P-C4' energy: -62.313 flat angles P-C4'-P energy: -41.052 tors. eta vs tors. theta energy: -83.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -782.212885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.212885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.212885 (E_RNA) where: Base-Base interactions energy: -533.732 where: short stacking energy: -210.800 Base-Backbone interact. energy: -2.193 local terms energy: -246.288402 where: bonds (distance) C4'-P energy: -56.966 bonds (distance) P-C4' energy: -50.023 flat angles C4'-P-C4' energy: -56.523 flat angles P-C4'-P energy: -34.682 tors. eta vs tors. theta energy: -48.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -728.849072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.849072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.849072 (E_RNA) where: Base-Base interactions energy: -486.939 where: short stacking energy: -228.308 Base-Backbone interact. energy: -2.297 local terms energy: -239.612502 where: bonds (distance) C4'-P energy: -46.096 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -45.527 flat angles P-C4'-P energy: -33.710 tors. eta vs tors. theta energy: -57.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -655.821536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.821536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.821536 (E_RNA) where: Base-Base interactions energy: -433.988 where: short stacking energy: -189.966 Base-Backbone interact. energy: 1.804 local terms energy: -223.637233 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -53.807 flat angles C4'-P-C4' energy: -48.326 flat angles P-C4'-P energy: -29.126 tors. eta vs tors. theta energy: -45.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -473.222765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.222765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.222765 (E_RNA) where: Base-Base interactions energy: -293.019 where: short stacking energy: -138.023 Base-Backbone interact. energy: 0.216 local terms energy: -180.420012 where: bonds (distance) C4'-P energy: -49.246 bonds (distance) P-C4' energy: -35.287 flat angles C4'-P-C4' energy: -50.200 flat angles P-C4'-P energy: -21.357 tors. eta vs tors. theta energy: -24.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -267.968691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.968691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.968691 (E_RNA) where: Base-Base interactions energy: -109.429 where: short stacking energy: -85.421 Base-Backbone interact. energy: 2.083 local terms energy: -160.622578 where: bonds (distance) C4'-P energy: -55.151 bonds (distance) P-C4' energy: -42.182 flat angles C4'-P-C4' energy: -45.769 flat angles P-C4'-P energy: -15.418 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1045.209812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.209812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.209812 (E_RNA) where: Base-Base interactions energy: -726.965 where: short stacking energy: -315.915 Base-Backbone interact. energy: -0.918 local terms energy: -317.326721 where: bonds (distance) C4'-P energy: -58.476 bonds (distance) P-C4' energy: -64.395 flat angles C4'-P-C4' energy: -60.770 flat angles P-C4'-P energy: -49.521 tors. eta vs tors. theta energy: -84.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -991.188951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.188951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.188951 (E_RNA) where: Base-Base interactions energy: -693.660 where: short stacking energy: -301.036 Base-Backbone interact. energy: -0.286 local terms energy: -297.242948 where: bonds (distance) C4'-P energy: -56.265 bonds (distance) P-C4' energy: -51.571 flat angles C4'-P-C4' energy: -69.038 flat angles P-C4'-P energy: -32.901 tors. eta vs tors. theta energy: -87.468 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: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -957.102934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.102934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.102934 (E_RNA) where: Base-Base interactions energy: -662.903 where: short stacking energy: -283.859 Base-Backbone interact. energy: -1.180 local terms energy: -293.019906 where: bonds (distance) C4'-P energy: -50.709 bonds (distance) P-C4' energy: -58.116 flat angles C4'-P-C4' energy: -65.235 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -81.006 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: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -922.874588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.874588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.874588 (E_RNA) where: Base-Base interactions energy: -646.298 where: short stacking energy: -264.736 Base-Backbone interact. energy: 0.436 local terms energy: -277.011989 where: bonds (distance) C4'-P energy: -51.228 bonds (distance) P-C4' energy: -52.063 flat angles C4'-P-C4' energy: -55.229 flat angles P-C4'-P energy: -42.600 tors. eta vs tors. theta energy: -75.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -840.309756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.309756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.309756 (E_RNA) where: Base-Base interactions energy: -572.506 where: short stacking energy: -268.109 Base-Backbone interact. energy: -2.167 local terms energy: -265.636962 where: bonds (distance) C4'-P energy: -46.020 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -60.001 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: -64.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -840.103043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.103043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.103043 (E_RNA) where: Base-Base interactions energy: -575.098 where: short stacking energy: -240.306 Base-Backbone interact. energy: 0.100 local terms energy: -265.105039 where: bonds (distance) C4'-P energy: -42.715 bonds (distance) P-C4' energy: -54.464 flat angles C4'-P-C4' energy: -65.023 flat angles P-C4'-P energy: -41.545 tors. eta vs tors. theta energy: -61.358 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: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -731.218317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.218317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.218317 (E_RNA) where: Base-Base interactions energy: -496.674 where: short stacking energy: -238.986 Base-Backbone interact. energy: -1.347 local terms energy: -233.196693 where: bonds (distance) C4'-P energy: -42.601 bonds (distance) P-C4' energy: -48.002 flat angles C4'-P-C4' energy: -49.343 flat angles P-C4'-P energy: -34.449 tors. eta vs tors. theta energy: -58.801 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: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -660.919162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.919162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.919162 (E_RNA) where: Base-Base interactions energy: -425.404 where: short stacking energy: -201.902 Base-Backbone interact. energy: -1.289 local terms energy: -234.226583 where: bonds (distance) C4'-P energy: -53.680 bonds (distance) P-C4' energy: -51.327 flat angles C4'-P-C4' energy: -54.353 flat angles P-C4'-P energy: -29.113 tors. eta vs tors. theta energy: -45.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -410.403461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.403461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.403461 (E_RNA) where: Base-Base interactions energy: -236.786 where: short stacking energy: -112.936 Base-Backbone interact. energy: 0.675 local terms energy: -174.292103 where: bonds (distance) C4'-P energy: -50.566 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -33.173 flat angles P-C4'-P energy: -31.443 tors. eta vs tors. theta energy: -7.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -256.758744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.758744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.758744 (E_RNA) where: Base-Base interactions energy: -109.374 where: short stacking energy: -82.748 Base-Backbone interact. energy: 2.481 local terms energy: -149.865964 where: bonds (distance) C4'-P energy: -38.964 bonds (distance) P-C4' energy: -57.309 flat angles C4'-P-C4' energy: -43.509 flat angles P-C4'-P energy: -19.794 tors. eta vs tors. theta energy: 9.711 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: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1036.425941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.425941 (E_RNA) where: Base-Base interactions energy: -716.562 where: short stacking energy: -315.054 Base-Backbone interact. energy: 0.432 local terms energy: -320.295590 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -63.222 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -41.989 tors. eta vs tors. theta energy: -91.060 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -966.393037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.393037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.393037 (E_RNA) where: Base-Base interactions energy: -685.514 where: short stacking energy: -290.818 Base-Backbone interact. energy: -0.460 local terms energy: -280.419231 where: bonds (distance) C4'-P energy: -54.416 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -32.644 tors. eta vs tors. theta energy: -83.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -929.636023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.636023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.636023 (E_RNA) where: Base-Base interactions energy: -626.573 where: short stacking energy: -280.316 Base-Backbone interact. energy: -1.023 local terms energy: -302.039498 where: bonds (distance) C4'-P energy: -62.955 bonds (distance) P-C4' energy: -58.119 flat angles C4'-P-C4' energy: -64.454 flat angles P-C4'-P energy: -41.545 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: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -928.381639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.381639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.381639 (E_RNA) where: Base-Base interactions energy: -640.716 where: short stacking energy: -275.307 Base-Backbone interact. energy: 3.285 local terms energy: -290.950465 where: bonds (distance) C4'-P energy: -50.565 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -59.055 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -82.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -846.267017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.267017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.267017 (E_RNA) where: Base-Base interactions energy: -593.756 where: short stacking energy: -259.582 Base-Backbone interact. energy: -0.609 local terms energy: -251.902141 where: bonds (distance) C4'-P energy: -53.990 bonds (distance) P-C4' energy: -47.708 flat angles C4'-P-C4' energy: -54.361 flat angles P-C4'-P energy: -28.045 tors. eta vs tors. theta energy: -67.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -815.505448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.505448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.505448 (E_RNA) where: Base-Base interactions energy: -546.736 where: short stacking energy: -249.812 Base-Backbone interact. energy: 0.570 local terms energy: -269.339406 where: bonds (distance) C4'-P energy: -49.830 bonds (distance) P-C4' energy: -55.890 flat angles C4'-P-C4' energy: -63.161 flat angles P-C4'-P energy: -32.597 tors. eta vs tors. theta energy: -67.862 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: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -723.876835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.876835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.876835 (E_RNA) where: Base-Base interactions energy: -463.743 where: short stacking energy: -216.340 Base-Backbone interact. energy: -1.559 local terms energy: -258.574518 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -56.704 flat angles P-C4'-P energy: -28.765 tors. eta vs tors. theta energy: -53.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -608.489808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.489808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.489808 (E_RNA) where: Base-Base interactions energy: -400.631 where: short stacking energy: -171.968 Base-Backbone interact. energy: 0.293 local terms energy: -208.151755 where: bonds (distance) C4'-P energy: -54.466 bonds (distance) P-C4' energy: -53.565 flat angles C4'-P-C4' energy: -37.372 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -387.372361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.372361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.372361 (E_RNA) where: Base-Base interactions energy: -202.384 where: short stacking energy: -107.366 Base-Backbone interact. energy: -0.950 local terms energy: -184.038650 where: bonds (distance) C4'-P energy: -46.549 bonds (distance) P-C4' energy: -55.896 flat angles C4'-P-C4' energy: -46.828 flat angles P-C4'-P energy: -36.173 tors. eta vs tors. theta energy: 1.407 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: 166 Temperature: 1.350000 Total energy: -256.324672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.324672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.324672 (E_RNA) where: Base-Base interactions energy: -93.176 where: short stacking energy: -81.219 Base-Backbone interact. energy: -0.294 local terms energy: -162.854313 where: bonds (distance) C4'-P energy: -50.511 bonds (distance) P-C4' energy: -51.816 flat angles C4'-P-C4' energy: -39.213 flat angles P-C4'-P energy: -16.523 tors. eta vs tors. theta energy: -4.792 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: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1025.437009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.437009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.437009 (E_RNA) where: Base-Base interactions energy: -702.974 where: short stacking energy: -301.483 Base-Backbone interact. energy: 0.573 local terms energy: -323.035123 where: bonds (distance) C4'-P energy: -59.723 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -70.865 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -88.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -974.834141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.834141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.834141 (E_RNA) where: Base-Base interactions energy: -666.888 where: short stacking energy: -307.965 Base-Backbone interact. energy: -0.856 local terms energy: -307.089703 where: bonds (distance) C4'-P energy: -57.307 bonds (distance) P-C4' energy: -54.307 flat angles C4'-P-C4' energy: -62.344 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -87.610 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: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -934.927957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.927957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.927957 (E_RNA) where: Base-Base interactions energy: -653.287 where: short stacking energy: -294.270 Base-Backbone interact. energy: -0.073 local terms energy: -281.568345 where: bonds (distance) C4'-P energy: -51.773 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -62.802 flat angles P-C4'-P energy: -28.152 tors. eta vs tors. theta energy: -74.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -933.008440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.008440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.008440 (E_RNA) where: Base-Base interactions energy: -631.714 where: short stacking energy: -271.308 Base-Backbone interact. energy: -0.519 local terms energy: -300.774975 where: bonds (distance) C4'-P energy: -51.344 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -65.947 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -79.122 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: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -889.159980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.159980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.159980 (E_RNA) where: Base-Base interactions energy: -615.349 where: short stacking energy: -265.451 Base-Backbone interact. energy: 2.911 local terms energy: -276.721870 where: bonds (distance) C4'-P energy: -52.952 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -64.178 flat angles P-C4'-P energy: -36.281 tors. eta vs tors. theta energy: -64.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -817.023677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.023677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.023677 (E_RNA) where: Base-Base interactions energy: -543.241 where: short stacking energy: -235.647 Base-Backbone interact. energy: -1.464 local terms energy: -272.318942 where: bonds (distance) C4'-P energy: -48.813 bonds (distance) P-C4' energy: -54.670 flat angles C4'-P-C4' energy: -64.380 flat angles P-C4'-P energy: -31.961 tors. eta vs tors. theta energy: -72.495 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: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -721.813257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.813257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.813257 (E_RNA) where: Base-Base interactions energy: -490.770 where: short stacking energy: -207.676 Base-Backbone interact. energy: 0.347 local terms energy: -231.390312 where: bonds (distance) C4'-P energy: -48.251 bonds (distance) P-C4' energy: -56.539 flat angles C4'-P-C4' energy: -56.765 flat angles P-C4'-P energy: -22.595 tors. eta vs tors. theta energy: -47.241 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: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -604.953624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.953624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.953624 (E_RNA) where: Base-Base interactions energy: -412.886 where: short stacking energy: -172.199 Base-Backbone interact. energy: 0.574 local terms energy: -192.641735 where: bonds (distance) C4'-P energy: -47.062 bonds (distance) P-C4' energy: -44.206 flat angles C4'-P-C4' energy: -49.229 flat angles P-C4'-P energy: -17.088 tors. eta vs tors. theta energy: -35.056 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: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -393.944440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.944440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.944440 (E_RNA) where: Base-Base interactions energy: -220.511 where: short stacking energy: -124.410 Base-Backbone interact. energy: -3.218 local terms energy: -170.215590 where: bonds (distance) C4'-P energy: -39.087 bonds (distance) P-C4' energy: -57.996 flat angles C4'-P-C4' energy: -38.531 flat angles P-C4'-P energy: -31.496 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -256.892352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.892352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.892352 (E_RNA) where: Base-Base interactions energy: -99.267 where: short stacking energy: -86.128 Base-Backbone interact. energy: 1.931 local terms energy: -159.557117 where: bonds (distance) C4'-P energy: -48.975 bonds (distance) P-C4' energy: -57.485 flat angles C4'-P-C4' energy: -37.812 flat angles P-C4'-P energy: -15.081 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1043.108791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.108791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.108791 (E_RNA) where: Base-Base interactions energy: -722.636 where: short stacking energy: -316.860 Base-Backbone interact. energy: -0.669 local terms energy: -319.804413 where: bonds (distance) C4'-P energy: -57.073 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -89.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -965.493810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.493810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.493810 (E_RNA) where: Base-Base interactions energy: -651.901 where: short stacking energy: -284.750 Base-Backbone interact. energy: -0.701 local terms energy: -312.891615 where: bonds (distance) C4'-P energy: -60.726 bonds (distance) P-C4' energy: -55.876 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -47.530 tors. eta vs tors. theta energy: -85.290 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: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -950.126671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.126671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.126671 (E_RNA) where: Base-Base interactions energy: -649.883 where: short stacking energy: -286.137 Base-Backbone interact. energy: -0.374 local terms energy: -299.869310 where: bonds (distance) C4'-P energy: -52.801 bonds (distance) P-C4' energy: -63.352 flat angles C4'-P-C4' energy: -67.125 flat angles P-C4'-P energy: -38.522 tors. eta vs tors. theta energy: -78.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -958.268169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.268169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.268169 (E_RNA) where: Base-Base interactions energy: -680.300 where: short stacking energy: -298.165 Base-Backbone interact. energy: -0.451 local terms energy: -277.517681 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -52.712 flat angles C4'-P-C4' energy: -51.748 flat angles P-C4'-P energy: -36.189 tors. eta vs tors. theta energy: -84.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -852.759768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.759768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.759768 (E_RNA) where: Base-Base interactions energy: -585.197 where: short stacking energy: -258.139 Base-Backbone interact. energy: -2.655 local terms energy: -264.907347 where: bonds (distance) C4'-P energy: -57.444 bonds (distance) P-C4' energy: -55.808 flat angles C4'-P-C4' energy: -56.130 flat angles P-C4'-P energy: -28.871 tors. eta vs tors. theta energy: -66.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -821.874732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.874732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.874732 (E_RNA) where: Base-Base interactions energy: -567.802 where: short stacking energy: -237.712 Base-Backbone interact. energy: 0.879 local terms energy: -254.952016 where: bonds (distance) C4'-P energy: -51.474 bonds (distance) P-C4' energy: -51.104 flat angles C4'-P-C4' energy: -56.946 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -58.946 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: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -696.289962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.289962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.289962 (E_RNA) where: Base-Base interactions energy: -475.803 where: short stacking energy: -209.418 Base-Backbone interact. energy: 3.089 local terms energy: -223.576561 where: bonds (distance) C4'-P energy: -51.378 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -40.862 flat angles P-C4'-P energy: -29.912 tors. eta vs tors. theta energy: -44.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -596.768737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.768737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.768737 (E_RNA) where: Base-Base interactions energy: -387.214 where: short stacking energy: -179.931 Base-Backbone interact. energy: 0.650 local terms energy: -210.204725 where: bonds (distance) C4'-P energy: -45.591 bonds (distance) P-C4' energy: -58.372 flat angles C4'-P-C4' energy: -42.836 flat angles P-C4'-P energy: -41.369 tors. eta vs tors. theta energy: -22.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -391.951529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.951529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.951529 (E_RNA) where: Base-Base interactions energy: -197.780 where: short stacking energy: -115.281 Base-Backbone interact. energy: 0.280 local terms energy: -194.452004 where: bonds (distance) C4'-P energy: -34.012 bonds (distance) P-C4' energy: -52.950 flat angles C4'-P-C4' energy: -54.346 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: -11.478 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: 168 Temperature: 1.350000 Total energy: -330.031821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.031821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.031821 (E_RNA) where: Base-Base interactions energy: -168.639 where: short stacking energy: -94.257 Base-Backbone interact. energy: -0.891 local terms energy: -160.502221 where: bonds (distance) C4'-P energy: -32.385 bonds (distance) P-C4' energy: -55.660 flat angles C4'-P-C4' energy: -46.568 flat angles P-C4'-P energy: -29.121 tors. eta vs tors. theta energy: 3.232 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: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1025.101980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.101980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.101980 (E_RNA) where: Base-Base interactions energy: -700.358 where: short stacking energy: -302.885 Base-Backbone interact. energy: -0.799 local terms energy: -323.944088 where: bonds (distance) C4'-P energy: -64.400 bonds (distance) P-C4' energy: -65.390 flat angles C4'-P-C4' energy: -60.962 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -86.361 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: 169 Temperature: 0.950000 Total energy: -993.047826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.047826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.047826 (E_RNA) where: Base-Base interactions energy: -686.655 where: short stacking energy: -292.580 Base-Backbone interact. energy: -2.130 local terms energy: -304.262678 where: bonds (distance) C4'-P energy: -45.906 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -61.353 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -92.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -931.538517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.538517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.538517 (E_RNA) where: Base-Base interactions energy: -668.515 where: short stacking energy: -297.601 Base-Backbone interact. energy: -0.134 local terms energy: -262.890039 where: bonds (distance) C4'-P energy: -38.726 bonds (distance) P-C4' energy: -51.710 flat angles C4'-P-C4' energy: -65.227 flat angles P-C4'-P energy: -24.916 tors. eta vs tors. theta energy: -82.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -931.753009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.753009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.753009 (E_RNA) where: Base-Base interactions energy: -640.258 where: short stacking energy: -274.327 Base-Backbone interact. energy: -1.490 local terms energy: -290.004780 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -52.319 flat angles C4'-P-C4' energy: -60.239 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -79.673 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: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -823.006345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.006345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.006345 (E_RNA) where: Base-Base interactions energy: -556.600 where: short stacking energy: -241.070 Base-Backbone interact. energy: -0.550 local terms energy: -265.856298 where: bonds (distance) C4'-P energy: -44.396 bonds (distance) P-C4' energy: -52.291 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -58.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -768.831864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.831864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.831864 (E_RNA) where: Base-Base interactions energy: -507.044 where: short stacking energy: -237.242 Base-Backbone interact. energy: -2.409 local terms energy: -259.379500 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -55.897 flat angles C4'-P-C4' energy: -56.007 flat angles P-C4'-P energy: -30.610 tors. eta vs tors. theta energy: -59.058 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: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -805.729142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.729142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.729142 (E_RNA) where: Base-Base interactions energy: -554.663 where: short stacking energy: -231.390 Base-Backbone interact. energy: -1.317 local terms energy: -249.748436 where: bonds (distance) C4'-P energy: -49.639 bonds (distance) P-C4' energy: -54.370 flat angles C4'-P-C4' energy: -53.784 flat angles P-C4'-P energy: -31.834 tors. eta vs tors. theta energy: -60.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -605.462367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.462367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.462367 (E_RNA) where: Base-Base interactions energy: -392.311 where: short stacking energy: -164.988 Base-Backbone interact. energy: 0.383 local terms energy: -213.533707 where: bonds (distance) C4'-P energy: -53.326 bonds (distance) P-C4' energy: -54.852 flat angles C4'-P-C4' energy: -45.977 flat angles P-C4'-P energy: -25.605 tors. eta vs tors. theta energy: -33.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -389.468926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.468926 (E_RNA) where: Base-Base interactions energy: -188.684 where: short stacking energy: -117.411 Base-Backbone interact. energy: 2.428 local terms energy: -203.212911 where: bonds (distance) C4'-P energy: -53.447 bonds (distance) P-C4' energy: -65.032 flat angles C4'-P-C4' energy: -46.883 flat angles P-C4'-P energy: -27.159 tors. eta vs tors. theta energy: -10.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -328.283471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.283471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.283471 (E_RNA) where: Base-Base interactions energy: -174.525 where: short stacking energy: -99.494 Base-Backbone interact. energy: -0.051 local terms energy: -153.708200 where: bonds (distance) C4'-P energy: -51.783 bonds (distance) P-C4' energy: -43.328 flat angles C4'-P-C4' energy: -45.685 flat angles P-C4'-P energy: -15.710 tors. eta vs tors. theta energy: 2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1023.629827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.629827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.629827 (E_RNA) where: Base-Base interactions energy: -715.893 where: short stacking energy: -310.251 Base-Backbone interact. energy: -0.594 local terms energy: -307.143023 where: bonds (distance) C4'-P energy: -60.506 bonds (distance) P-C4' energy: -58.569 flat angles C4'-P-C4' energy: -63.142 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -82.089 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: 170 Temperature: 0.950000 Total energy: -970.815630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.815630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.815630 (E_RNA) where: Base-Base interactions energy: -663.870 where: short stacking energy: -299.850 Base-Backbone interact. energy: -1.830 local terms energy: -305.116280 where: bonds (distance) C4'-P energy: -56.689 bonds (distance) P-C4' energy: -59.098 flat angles C4'-P-C4' energy: -58.475 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -84.633 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: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -960.148410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.148410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.148410 (E_RNA) where: Base-Base interactions energy: -660.667 where: short stacking energy: -293.121 Base-Backbone interact. energy: 0.415 local terms energy: -299.896629 where: bonds (distance) C4'-P energy: -61.187 bonds (distance) P-C4' energy: -56.141 flat angles C4'-P-C4' energy: -59.600 flat angles P-C4'-P energy: -35.063 tors. eta vs tors. theta energy: -87.905 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: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -924.983776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.983776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.983776 (E_RNA) where: Base-Base interactions energy: -636.687 where: short stacking energy: -277.034 Base-Backbone interact. energy: -1.863 local terms energy: -286.434622 where: bonds (distance) C4'-P energy: -47.562 bonds (distance) P-C4' energy: -56.845 flat angles C4'-P-C4' energy: -60.425 flat angles P-C4'-P energy: -37.804 tors. eta vs tors. theta energy: -83.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -806.754855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.754855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.754855 (E_RNA) where: Base-Base interactions energy: -537.183 where: short stacking energy: -244.654 Base-Backbone interact. energy: -1.237 local terms energy: -268.334590 where: bonds (distance) C4'-P energy: -55.813 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -54.966 flat angles P-C4'-P energy: -35.423 tors. eta vs tors. theta energy: -66.452 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: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -784.017025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.017025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.017025 (E_RNA) where: Base-Base interactions energy: -553.996 where: short stacking energy: -227.885 Base-Backbone interact. energy: -1.238 local terms energy: -228.782935 where: bonds (distance) C4'-P energy: -49.765 bonds (distance) P-C4' energy: -45.886 flat angles C4'-P-C4' energy: -57.329 flat angles P-C4'-P energy: -26.799 tors. eta vs tors. theta energy: -49.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -772.742236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.742236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.742236 (E_RNA) where: Base-Base interactions energy: -524.314 where: short stacking energy: -245.556 Base-Backbone interact. energy: 2.655 local terms energy: -251.083296 where: bonds (distance) C4'-P energy: -56.074 bonds (distance) P-C4' energy: -52.468 flat angles C4'-P-C4' energy: -50.196 flat angles P-C4'-P energy: -34.377 tors. eta vs tors. theta energy: -57.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -633.679404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.679404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.679404 (E_RNA) where: Base-Base interactions energy: -400.672 where: short stacking energy: -186.028 Base-Backbone interact. energy: -0.782 local terms energy: -232.224966 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -53.795 flat angles C4'-P-C4' energy: -59.247 flat angles P-C4'-P energy: -29.404 tors. eta vs tors. theta energy: -36.438 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: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -375.365240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.365240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.365240 (E_RNA) where: Base-Base interactions energy: -197.639 where: short stacking energy: -124.039 Base-Backbone interact. energy: 1.825 local terms energy: -179.550978 where: bonds (distance) C4'-P energy: -43.944 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -35.105 flat angles P-C4'-P energy: -31.992 tors. eta vs tors. theta energy: -8.980 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: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -302.436169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.436169 (E_RNA) where: Base-Base interactions energy: -110.686 where: short stacking energy: -84.521 Base-Backbone interact. energy: 1.167 local terms energy: -192.917110 where: bonds (distance) C4'-P energy: -51.760 bonds (distance) P-C4' energy: -60.606 flat angles C4'-P-C4' energy: -43.811 flat angles P-C4'-P energy: -36.189 tors. eta vs tors. theta energy: -0.550 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: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1033.306050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.306050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.306050 (E_RNA) where: Base-Base interactions energy: -721.952 where: short stacking energy: -314.710 Base-Backbone interact. energy: -1.387 local terms energy: -309.967634 where: bonds (distance) C4'-P energy: -63.747 bonds (distance) P-C4' energy: -54.662 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -87.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -996.523597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.523597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.523597 (E_RNA) where: Base-Base interactions energy: -690.683 where: short stacking energy: -292.201 Base-Backbone interact. energy: -1.450 local terms energy: -304.390677 where: bonds (distance) C4'-P energy: -56.974 bonds (distance) P-C4' energy: -61.844 flat angles C4'-P-C4' energy: -60.777 flat angles P-C4'-P energy: -38.746 tors. eta vs tors. theta energy: -86.050 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: 171 Temperature: 1.000000 Total energy: -934.599366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.599366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.599366 (E_RNA) where: Base-Base interactions energy: -638.418 where: short stacking energy: -295.691 Base-Backbone interact. energy: -1.295 local terms energy: -294.886846 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -52.516 flat angles C4'-P-C4' energy: -61.716 flat angles P-C4'-P energy: -42.812 tors. eta vs tors. theta energy: -84.585 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: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -930.109927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.109927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.109927 (E_RNA) where: Base-Base interactions energy: -629.186 where: short stacking energy: -273.312 Base-Backbone interact. energy: -2.797 local terms energy: -298.127517 where: bonds (distance) C4'-P energy: -53.120 bonds (distance) P-C4' energy: -55.077 flat angles C4'-P-C4' energy: -63.521 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -82.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -793.636394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.636394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.636394 (E_RNA) where: Base-Base interactions energy: -531.511 where: short stacking energy: -243.881 Base-Backbone interact. energy: -1.059 local terms energy: -261.066842 where: bonds (distance) C4'-P energy: -48.351 bonds (distance) P-C4' energy: -54.295 flat angles C4'-P-C4' energy: -61.640 flat angles P-C4'-P energy: -39.083 tors. eta vs tors. theta energy: -57.697 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: 6, replica: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -792.173565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.173565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.173565 (E_RNA) where: Base-Base interactions energy: -538.888 where: short stacking energy: -211.312 Base-Backbone interact. energy: 0.008 local terms energy: -253.293838 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -54.924 flat angles C4'-P-C4' energy: -52.912 flat angles P-C4'-P energy: -40.617 tors. eta vs tors. theta energy: -52.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -761.367576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.367576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.367576 (E_RNA) where: Base-Base interactions energy: -539.333 where: short stacking energy: -232.809 Base-Backbone interact. energy: -1.601 local terms energy: -220.434090 where: bonds (distance) C4'-P energy: -38.804 bonds (distance) P-C4' energy: -55.321 flat angles C4'-P-C4' energy: -43.842 flat angles P-C4'-P energy: -27.604 tors. eta vs tors. theta energy: -54.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -623.904792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.904792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.904792 (E_RNA) where: Base-Base interactions energy: -416.111 where: short stacking energy: -171.988 Base-Backbone interact. energy: 2.530 local terms energy: -210.323877 where: bonds (distance) C4'-P energy: -44.954 bonds (distance) P-C4' energy: -42.371 flat angles C4'-P-C4' energy: -56.457 flat angles P-C4'-P energy: -28.572 tors. eta vs tors. theta energy: -37.971 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: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -395.589125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.589125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.589125 (E_RNA) where: Base-Base interactions energy: -212.524 where: short stacking energy: -141.598 Base-Backbone interact. energy: -1.770 local terms energy: -181.294202 where: bonds (distance) C4'-P energy: -35.888 bonds (distance) P-C4' energy: -45.150 flat angles C4'-P-C4' energy: -49.435 flat angles P-C4'-P energy: -37.222 tors. eta vs tors. theta energy: -13.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -289.111150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.111150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.111150 (E_RNA) where: Base-Base interactions energy: -118.820 where: short stacking energy: -70.646 Base-Backbone interact. energy: -0.228 local terms energy: -170.063036 where: bonds (distance) C4'-P energy: -40.224 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -42.438 flat angles P-C4'-P energy: -31.643 tors. eta vs tors. theta energy: 4.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1031.387462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.387462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.387462 (E_RNA) where: Base-Base interactions energy: -709.044 where: short stacking energy: -298.459 Base-Backbone interact. energy: -1.346 local terms energy: -320.997589 where: bonds (distance) C4'-P energy: -61.732 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -65.067 flat angles P-C4'-P energy: -51.348 tors. eta vs tors. theta energy: -87.978 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: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -984.531642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.531642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.531642 (E_RNA) where: Base-Base interactions energy: -672.020 where: short stacking energy: -282.465 Base-Backbone interact. energy: -1.361 local terms energy: -311.150457 where: bonds (distance) C4'-P energy: -57.906 bonds (distance) P-C4' energy: -66.129 flat angles C4'-P-C4' energy: -66.580 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: -85.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -950.418599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.418599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.418599 (E_RNA) where: Base-Base interactions energy: -645.220 where: short stacking energy: -276.133 Base-Backbone interact. energy: -1.743 local terms energy: -303.455775 where: bonds (distance) C4'-P energy: -54.658 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -55.445 flat angles P-C4'-P energy: -43.544 tors. eta vs tors. theta energy: -84.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -904.521859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.521859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.521859 (E_RNA) where: Base-Base interactions energy: -634.019 where: short stacking energy: -271.711 Base-Backbone interact. energy: 1.825 local terms energy: -272.327298 where: bonds (distance) C4'-P energy: -49.529 bonds (distance) P-C4' energy: -50.414 flat angles C4'-P-C4' energy: -54.092 flat angles P-C4'-P energy: -45.210 tors. eta vs tors. theta energy: -73.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -781.468943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.468943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.468943 (E_RNA) where: Base-Base interactions energy: -501.141 where: short stacking energy: -244.826 Base-Backbone interact. energy: -0.778 local terms energy: -279.550154 where: bonds (distance) C4'-P energy: -56.794 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -60.100 flat angles P-C4'-P energy: -38.125 tors. eta vs tors. theta energy: -66.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -826.656199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.656199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.656199 (E_RNA) where: Base-Base interactions energy: -563.334 where: short stacking energy: -258.895 Base-Backbone interact. energy: -0.026 local terms energy: -263.296451 where: bonds (distance) C4'-P energy: -41.082 bonds (distance) P-C4' energy: -60.530 flat angles C4'-P-C4' energy: -54.860 flat angles P-C4'-P energy: -31.070 tors. eta vs tors. theta energy: -75.755 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: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -804.371052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.371052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.371052 (E_RNA) where: Base-Base interactions energy: -534.926 where: short stacking energy: -233.944 Base-Backbone interact. energy: -0.308 local terms energy: -269.137545 where: bonds (distance) C4'-P energy: -46.700 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -59.645 flat angles P-C4'-P energy: -39.227 tors. eta vs tors. theta energy: -62.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -625.835493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.835493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.835493 (E_RNA) where: Base-Base interactions energy: -405.833 where: short stacking energy: -179.183 Base-Backbone interact. energy: -0.715 local terms energy: -219.287693 where: bonds (distance) C4'-P energy: -49.497 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -53.528 flat angles P-C4'-P energy: -26.663 tors. eta vs tors. theta energy: -34.070 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: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -395.688972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.688972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.688972 (E_RNA) where: Base-Base interactions energy: -221.269 where: short stacking energy: -130.657 Base-Backbone interact. energy: -0.564 local terms energy: -173.855713 where: bonds (distance) C4'-P energy: -33.034 bonds (distance) P-C4' energy: -44.339 flat angles C4'-P-C4' energy: -48.390 flat angles P-C4'-P energy: -37.593 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -258.717359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.717359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.717359 (E_RNA) where: Base-Base interactions energy: -112.523 where: short stacking energy: -71.264 Base-Backbone interact. energy: -1.066 local terms energy: -145.128329 where: bonds (distance) C4'-P energy: -43.271 bonds (distance) P-C4' energy: -44.184 flat angles C4'-P-C4' energy: -44.526 flat angles P-C4'-P energy: -22.452 tors. eta vs tors. theta energy: 9.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1032.620179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.620179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.620179 (E_RNA) where: Base-Base interactions energy: -708.847 where: short stacking energy: -299.754 Base-Backbone interact. energy: -2.105 local terms energy: -321.667974 where: bonds (distance) C4'-P energy: -61.409 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -67.729 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -86.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -977.069338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.069338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.069338 (E_RNA) where: Base-Base interactions energy: -672.328 where: short stacking energy: -299.094 Base-Backbone interact. energy: 1.355 local terms energy: -306.096748 where: bonds (distance) C4'-P energy: -50.354 bonds (distance) P-C4' energy: -69.871 flat angles C4'-P-C4' energy: -63.344 flat angles P-C4'-P energy: -32.488 tors. eta vs tors. theta energy: -90.039 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: 173 Temperature: 1.000000 Total energy: -985.116365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.116365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.116365 (E_RNA) where: Base-Base interactions energy: -689.290 where: short stacking energy: -299.272 Base-Backbone interact. energy: 1.313 local terms energy: -297.138856 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -55.875 flat angles C4'-P-C4' energy: -57.998 flat angles P-C4'-P energy: -35.320 tors. eta vs tors. theta energy: -91.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -909.451703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.451703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.451703 (E_RNA) where: Base-Base interactions energy: -611.070 where: short stacking energy: -273.108 Base-Backbone interact. energy: -0.281 local terms energy: -298.100761 where: bonds (distance) C4'-P energy: -54.208 bonds (distance) P-C4' energy: -52.650 flat angles C4'-P-C4' energy: -66.314 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -78.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -790.573552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.573552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.573552 (E_RNA) where: Base-Base interactions energy: -518.225 where: short stacking energy: -244.834 Base-Backbone interact. energy: -0.054 local terms energy: -272.293997 where: bonds (distance) C4'-P energy: -39.313 bonds (distance) P-C4' energy: -54.562 flat angles C4'-P-C4' energy: -55.491 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -77.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -850.135227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.135227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.135227 (E_RNA) where: Base-Base interactions energy: -600.397 where: short stacking energy: -258.006 Base-Backbone interact. energy: -1.025 local terms energy: -248.713796 where: bonds (distance) C4'-P energy: -50.516 bonds (distance) P-C4' energy: -51.429 flat angles C4'-P-C4' energy: -51.992 flat angles P-C4'-P energy: -33.567 tors. eta vs tors. theta energy: -61.209 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: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -765.712012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.712012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.712012 (E_RNA) where: Base-Base interactions energy: -520.035 where: short stacking energy: -221.775 Base-Backbone interact. energy: -0.258 local terms energy: -245.418668 where: bonds (distance) C4'-P energy: -50.249 bonds (distance) P-C4' energy: -46.666 flat angles C4'-P-C4' energy: -58.461 flat angles P-C4'-P energy: -30.649 tors. eta vs tors. theta energy: -59.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -611.758856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.758856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.758856 (E_RNA) where: Base-Base interactions energy: -384.137 where: short stacking energy: -184.897 Base-Backbone interact. energy: -0.234 local terms energy: -227.386958 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -47.423 flat angles C4'-P-C4' energy: -49.945 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -34.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -384.968905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.968905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.968905 (E_RNA) where: Base-Base interactions energy: -207.324 where: short stacking energy: -109.932 Base-Backbone interact. energy: -1.128 local terms energy: -176.517052 where: bonds (distance) C4'-P energy: -58.950 bonds (distance) P-C4' energy: -47.655 flat angles C4'-P-C4' energy: -42.067 flat angles P-C4'-P energy: -28.949 tors. eta vs tors. theta energy: 1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -262.646896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.646896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.646896 (E_RNA) where: Base-Base interactions energy: -121.651 where: short stacking energy: -94.773 Base-Backbone interact. energy: 2.778 local terms energy: -143.774359 where: bonds (distance) C4'-P energy: -44.940 bonds (distance) P-C4' energy: -51.770 flat angles C4'-P-C4' energy: -33.137 flat angles P-C4'-P energy: -21.122 tors. eta vs tors. theta energy: 7.196 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: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1022.709693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.709693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.709693 (E_RNA) where: Base-Base interactions energy: -710.553 where: short stacking energy: -305.302 Base-Backbone interact. energy: -1.112 local terms energy: -311.044271 where: bonds (distance) C4'-P energy: -63.039 bonds (distance) P-C4' energy: -61.970 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -46.851 tors. eta vs tors. theta energy: -80.114 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: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -974.710969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.710969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.710969 (E_RNA) where: Base-Base interactions energy: -672.459 where: short stacking energy: -287.477 Base-Backbone interact. energy: -0.576 local terms energy: -301.676469 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -65.122 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: -84.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -992.445248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.445248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.445248 (E_RNA) where: Base-Base interactions energy: -693.009 where: short stacking energy: -300.302 Base-Backbone interact. energy: -0.044 local terms energy: -299.392428 where: bonds (distance) C4'-P energy: -55.762 bonds (distance) P-C4' energy: -51.356 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -94.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -920.849452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.849452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.849452 (E_RNA) where: Base-Base interactions energy: -624.197 where: short stacking energy: -271.328 Base-Backbone interact. energy: -1.061 local terms energy: -295.590848 where: bonds (distance) C4'-P energy: -61.789 bonds (distance) P-C4' energy: -54.381 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -38.083 tors. eta vs tors. theta energy: -78.403 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: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -896.312981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.312981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.312981 (E_RNA) where: Base-Base interactions energy: -622.824 where: short stacking energy: -268.438 Base-Backbone interact. energy: 0.780 local terms energy: -274.268675 where: bonds (distance) C4'-P energy: -43.162 bonds (distance) P-C4' energy: -54.163 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -39.384 tors. eta vs tors. theta energy: -70.782 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: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -781.795542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.795542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.795542 (E_RNA) where: Base-Base interactions energy: -511.151 where: short stacking energy: -237.756 Base-Backbone interact. energy: 0.141 local terms energy: -270.785715 where: bonds (distance) C4'-P energy: -50.962 bonds (distance) P-C4' energy: -53.316 flat angles C4'-P-C4' energy: -56.626 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: -63.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -759.054244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.054244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.054244 (E_RNA) where: Base-Base interactions energy: -519.393 where: short stacking energy: -229.766 Base-Backbone interact. energy: -0.741 local terms energy: -238.919904 where: bonds (distance) C4'-P energy: -47.088 bonds (distance) P-C4' energy: -49.583 flat angles C4'-P-C4' energy: -53.721 flat angles P-C4'-P energy: -25.058 tors. eta vs tors. theta energy: -63.470 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: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -608.332038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.332038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.332038 (E_RNA) where: Base-Base interactions energy: -376.097 where: short stacking energy: -166.844 Base-Backbone interact. energy: -0.322 local terms energy: -231.912649 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -48.463 flat angles C4'-P-C4' energy: -58.864 flat angles P-C4'-P energy: -36.051 tors. eta vs tors. theta energy: -34.726 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: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -373.708115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.708115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.708115 (E_RNA) where: Base-Base interactions energy: -184.974 where: short stacking energy: -111.750 Base-Backbone interact. energy: -1.525 local terms energy: -187.209591 where: bonds (distance) C4'-P energy: -49.511 bonds (distance) P-C4' energy: -50.805 flat angles C4'-P-C4' energy: -50.827 flat angles P-C4'-P energy: -28.282 tors. eta vs tors. theta energy: -7.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -294.801417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.801417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.801417 (E_RNA) where: Base-Base interactions energy: -150.408 where: short stacking energy: -93.248 Base-Backbone interact. energy: -1.436 local terms energy: -142.958182 where: bonds (distance) C4'-P energy: -44.152 bonds (distance) P-C4' energy: -38.887 flat angles C4'-P-C4' energy: -34.570 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: 12.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1031.696625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.696625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.696625 (E_RNA) where: Base-Base interactions energy: -717.215 where: short stacking energy: -314.224 Base-Backbone interact. energy: -1.126 local terms energy: -313.355744 where: bonds (distance) C4'-P energy: -60.157 bonds (distance) P-C4' energy: -53.962 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -50.335 tors. eta vs tors. theta energy: -79.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1014.044186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.044186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.044186 (E_RNA) where: Base-Base interactions energy: -707.702 where: short stacking energy: -317.013 Base-Backbone interact. energy: -1.654 local terms energy: -304.688678 where: bonds (distance) C4'-P energy: -51.326 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -66.710 flat angles P-C4'-P energy: -43.601 tors. eta vs tors. theta energy: -87.824 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: 175 Temperature: 1.000000 Total energy: -949.431058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.431058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.431058 (E_RNA) where: Base-Base interactions energy: -661.005 where: short stacking energy: -295.561 Base-Backbone interact. energy: 0.930 local terms energy: -289.356500 where: bonds (distance) C4'-P energy: -51.204 bonds (distance) P-C4' energy: -51.909 flat angles C4'-P-C4' energy: -62.560 flat angles P-C4'-P energy: -35.330 tors. eta vs tors. theta energy: -88.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -889.583425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.583425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.583425 (E_RNA) where: Base-Base interactions energy: -607.920 where: short stacking energy: -263.639 Base-Backbone interact. energy: -0.610 local terms energy: -281.053726 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -61.881 flat angles C4'-P-C4' energy: -66.035 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -67.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -891.570443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.570443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.570443 (E_RNA) where: Base-Base interactions energy: -594.736 where: short stacking energy: -255.962 Base-Backbone interact. energy: -1.291 local terms energy: -295.543531 where: bonds (distance) C4'-P energy: -56.846 bonds (distance) P-C4' energy: -58.506 flat angles C4'-P-C4' energy: -60.461 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -72.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -787.862715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.862715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.862715 (E_RNA) where: Base-Base interactions energy: -535.509 where: short stacking energy: -227.682 Base-Backbone interact. energy: -1.473 local terms energy: -250.880098 where: bonds (distance) C4'-P energy: -43.646 bonds (distance) P-C4' energy: -51.185 flat angles C4'-P-C4' energy: -53.372 flat angles P-C4'-P energy: -40.733 tors. eta vs tors. theta energy: -61.943 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: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -736.990129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.990129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.990129 (E_RNA) where: Base-Base interactions energy: -479.588 where: short stacking energy: -228.270 Base-Backbone interact. energy: -1.135 local terms energy: -256.267117 where: bonds (distance) C4'-P energy: -48.597 bonds (distance) P-C4' energy: -46.328 flat angles C4'-P-C4' energy: -55.018 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: -61.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -595.673431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.673431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.673431 (E_RNA) where: Base-Base interactions energy: -374.606 where: short stacking energy: -163.061 Base-Backbone interact. energy: -0.864 local terms energy: -220.203207 where: bonds (distance) C4'-P energy: -46.905 bonds (distance) P-C4' energy: -52.575 flat angles C4'-P-C4' energy: -60.293 flat angles P-C4'-P energy: -27.019 tors. eta vs tors. theta energy: -33.410 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: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -430.290218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.290218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.290218 (E_RNA) where: Base-Base interactions energy: -236.120 where: short stacking energy: -119.300 Base-Backbone interact. energy: 0.303 local terms energy: -194.473285 where: bonds (distance) C4'-P energy: -49.618 bonds (distance) P-C4' energy: -50.535 flat angles C4'-P-C4' energy: -46.298 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -9.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -308.810830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.810830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.810830 (E_RNA) where: Base-Base interactions energy: -143.316 where: short stacking energy: -90.602 Base-Backbone interact. energy: -0.600 local terms energy: -164.894357 where: bonds (distance) C4'-P energy: -43.592 bonds (distance) P-C4' energy: -52.692 flat angles C4'-P-C4' energy: -39.475 flat angles P-C4'-P energy: -20.123 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1012.648988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.648988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.648988 (E_RNA) where: Base-Base interactions energy: -691.621 where: short stacking energy: -306.274 Base-Backbone interact. energy: 0.322 local terms energy: -321.349710 where: bonds (distance) C4'-P energy: -51.995 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -95.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1020.375540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.375540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.375540 (E_RNA) where: Base-Base interactions energy: -707.568 where: short stacking energy: -301.641 Base-Backbone interact. energy: -1.386 local terms energy: -311.421633 where: bonds (distance) C4'-P energy: -60.345 bonds (distance) P-C4' energy: -55.712 flat angles C4'-P-C4' energy: -70.101 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -74.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -915.817613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.817613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.817613 (E_RNA) where: Base-Base interactions energy: -612.213 where: short stacking energy: -282.268 Base-Backbone interact. energy: 0.996 local terms energy: -304.600171 where: bonds (distance) C4'-P energy: -56.227 bonds (distance) P-C4' energy: -61.573 flat angles C4'-P-C4' energy: -68.077 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -78.747 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: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -914.389552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.389552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.389552 (E_RNA) where: Base-Base interactions energy: -634.180 where: short stacking energy: -283.003 Base-Backbone interact. energy: -1.034 local terms energy: -279.175537 where: bonds (distance) C4'-P energy: -51.123 bonds (distance) P-C4' energy: -54.539 flat angles C4'-P-C4' energy: -66.731 flat angles P-C4'-P energy: -27.686 tors. eta vs tors. theta energy: -79.096 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: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -854.934425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.934425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.934425 (E_RNA) where: Base-Base interactions energy: -589.562 where: short stacking energy: -269.718 Base-Backbone interact. energy: -0.575 local terms energy: -264.796974 where: bonds (distance) C4'-P energy: -51.077 bonds (distance) P-C4' energy: -42.032 flat angles C4'-P-C4' energy: -59.778 flat angles P-C4'-P energy: -38.312 tors. eta vs tors. theta energy: -73.597 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: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -835.181172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.181172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.181172 (E_RNA) where: Base-Base interactions energy: -561.514 where: short stacking energy: -249.263 Base-Backbone interact. energy: 1.401 local terms energy: -275.068118 where: bonds (distance) C4'-P energy: -38.529 bonds (distance) P-C4' energy: -66.370 flat angles C4'-P-C4' energy: -57.850 flat angles P-C4'-P energy: -39.748 tors. eta vs tors. theta energy: -72.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -744.495620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.495620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.495620 (E_RNA) where: Base-Base interactions energy: -478.387 where: short stacking energy: -233.138 Base-Backbone interact. energy: -0.953 local terms energy: -265.155429 where: bonds (distance) C4'-P energy: -46.006 bonds (distance) P-C4' energy: -51.990 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -37.489 tors. eta vs tors. theta energy: -64.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -640.224862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.224862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.224862 (E_RNA) where: Base-Base interactions energy: -401.925 where: short stacking energy: -187.827 Base-Backbone interact. energy: 0.190 local terms energy: -238.489829 where: bonds (distance) C4'-P energy: -50.551 bonds (distance) P-C4' energy: -59.877 flat angles C4'-P-C4' energy: -49.759 flat angles P-C4'-P energy: -40.260 tors. eta vs tors. theta energy: -38.042 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: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -442.449663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.449663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.449663 (E_RNA) where: Base-Base interactions energy: -250.708 where: short stacking energy: -116.190 Base-Backbone interact. energy: 0.628 local terms energy: -192.368918 where: bonds (distance) C4'-P energy: -46.882 bonds (distance) P-C4' energy: -58.933 flat angles C4'-P-C4' energy: -40.812 flat angles P-C4'-P energy: -40.015 tors. eta vs tors. theta energy: -5.726 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: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -333.344391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.344391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.344391 (E_RNA) where: Base-Base interactions energy: -166.445 where: short stacking energy: -106.917 Base-Backbone interact. energy: -0.257 local terms energy: -166.642945 where: bonds (distance) C4'-P energy: -30.842 bonds (distance) P-C4' energy: -50.372 flat angles C4'-P-C4' energy: -47.057 flat angles P-C4'-P energy: -32.102 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1005.603240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.603240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.603240 (E_RNA) where: Base-Base interactions energy: -701.366 where: short stacking energy: -306.199 Base-Backbone interact. energy: -0.467 local terms energy: -303.769728 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -47.457 flat angles C4'-P-C4' energy: -70.232 flat angles P-C4'-P energy: -35.373 tors. eta vs tors. theta energy: -93.752 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: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1028.945742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.945742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.945742 (E_RNA) where: Base-Base interactions energy: -726.619 where: short stacking energy: -299.928 Base-Backbone interact. energy: -1.830 local terms energy: -300.496643 where: bonds (distance) C4'-P energy: -45.998 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -88.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -915.793162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.793162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.793162 (E_RNA) where: Base-Base interactions energy: -607.723 where: short stacking energy: -282.042 Base-Backbone interact. energy: -1.338 local terms energy: -306.731774 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -55.754 flat angles C4'-P-C4' energy: -62.653 flat angles P-C4'-P energy: -39.740 tors. eta vs tors. theta energy: -86.005 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: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -891.105816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.105816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.105816 (E_RNA) where: Base-Base interactions energy: -614.880 where: short stacking energy: -272.113 Base-Backbone interact. energy: -0.550 local terms energy: -275.675442 where: bonds (distance) C4'-P energy: -42.614 bonds (distance) P-C4' energy: -57.605 flat angles C4'-P-C4' energy: -64.975 flat angles P-C4'-P energy: -29.658 tors. eta vs tors. theta energy: -80.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -848.255921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.255921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.255921 (E_RNA) where: Base-Base interactions energy: -575.738 where: short stacking energy: -253.506 Base-Backbone interact. energy: 0.784 local terms energy: -273.302595 where: bonds (distance) C4'-P energy: -51.773 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -61.900 flat angles P-C4'-P energy: -37.956 tors. eta vs tors. theta energy: -64.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -807.361950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.361950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.361950 (E_RNA) where: Base-Base interactions energy: -529.267 where: short stacking energy: -248.960 Base-Backbone interact. energy: -1.618 local terms energy: -276.476573 where: bonds (distance) C4'-P energy: -51.335 bonds (distance) P-C4' energy: -54.125 flat angles C4'-P-C4' energy: -61.390 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -69.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -738.328829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.328829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.328829 (E_RNA) where: Base-Base interactions energy: -499.507 where: short stacking energy: -221.527 Base-Backbone interact. energy: 0.044 local terms energy: -238.865392 where: bonds (distance) C4'-P energy: -43.474 bonds (distance) P-C4' energy: -55.573 flat angles C4'-P-C4' energy: -49.744 flat angles P-C4'-P energy: -35.736 tors. eta vs tors. theta energy: -54.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -621.659188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.659188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.659188 (E_RNA) where: Base-Base interactions energy: -418.927 where: short stacking energy: -183.948 Base-Backbone interact. energy: 0.190 local terms energy: -202.922076 where: bonds (distance) C4'-P energy: -42.738 bonds (distance) P-C4' energy: -54.357 flat angles C4'-P-C4' energy: -46.043 flat angles P-C4'-P energy: -23.825 tors. eta vs tors. theta energy: -35.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -396.563561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.563561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.563561 (E_RNA) where: Base-Base interactions energy: -227.312 where: short stacking energy: -117.742 Base-Backbone interact. energy: 1.763 local terms energy: -171.014928 where: bonds (distance) C4'-P energy: -35.344 bonds (distance) P-C4' energy: -49.340 flat angles C4'-P-C4' energy: -53.298 flat angles P-C4'-P energy: -32.743 tors. eta vs tors. theta energy: -0.289 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: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -325.922434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.922434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.922434 (E_RNA) where: Base-Base interactions energy: -142.706 where: short stacking energy: -101.443 Base-Backbone interact. energy: -0.787 local terms energy: -182.429382 where: bonds (distance) C4'-P energy: -57.061 bonds (distance) P-C4' energy: -41.239 flat angles C4'-P-C4' energy: -52.568 flat angles P-C4'-P energy: -22.912 tors. eta vs tors. theta energy: -8.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1043.557130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.557130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.557130 (E_RNA) where: Base-Base interactions energy: -733.389 where: short stacking energy: -313.896 Base-Backbone interact. energy: 0.850 local terms energy: -311.017557 where: bonds (distance) C4'-P energy: -57.732 bonds (distance) P-C4' energy: -60.195 flat angles C4'-P-C4' energy: -64.759 flat angles P-C4'-P energy: -44.756 tors. eta vs tors. theta energy: -83.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1003.193854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.193854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.193854 (E_RNA) where: Base-Base interactions energy: -701.387 where: short stacking energy: -299.136 Base-Backbone interact. energy: -0.997 local terms energy: -300.809887 where: bonds (distance) C4'-P energy: -56.039 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -67.277 flat angles P-C4'-P energy: -36.804 tors. eta vs tors. theta energy: -79.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -933.411220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.411220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.411220 (E_RNA) where: Base-Base interactions energy: -639.292 where: short stacking energy: -265.311 Base-Backbone interact. energy: 3.167 local terms energy: -297.286072 where: bonds (distance) C4'-P energy: -56.851 bonds (distance) P-C4' energy: -56.693 flat angles C4'-P-C4' energy: -60.221 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -74.194 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: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -921.402295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.402295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.402295 (E_RNA) where: Base-Base interactions energy: -639.352 where: short stacking energy: -277.285 Base-Backbone interact. energy: -1.296 local terms energy: -280.754283 where: bonds (distance) C4'-P energy: -49.290 bonds (distance) P-C4' energy: -52.897 flat angles C4'-P-C4' energy: -63.896 flat angles P-C4'-P energy: -35.328 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: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -833.920770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.920770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.920770 (E_RNA) where: Base-Base interactions energy: -554.660 where: short stacking energy: -254.129 Base-Backbone interact. energy: 0.367 local terms energy: -279.628369 where: bonds (distance) C4'-P energy: -50.671 bonds (distance) P-C4' energy: -64.074 flat angles C4'-P-C4' energy: -61.869 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: -70.141 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: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -788.913374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.913374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.913374 (E_RNA) where: Base-Base interactions energy: -524.505 where: short stacking energy: -235.626 Base-Backbone interact. energy: -0.524 local terms energy: -263.884439 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -61.073 flat angles C4'-P-C4' energy: -52.341 flat angles P-C4'-P energy: -28.079 tors. eta vs tors. theta energy: -66.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -750.695940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.695940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.695940 (E_RNA) where: Base-Base interactions energy: -509.587 where: short stacking energy: -219.589 Base-Backbone interact. energy: -1.268 local terms energy: -239.841843 where: bonds (distance) C4'-P energy: -44.786 bonds (distance) P-C4' energy: -53.253 flat angles C4'-P-C4' energy: -60.865 flat angles P-C4'-P energy: -21.566 tors. eta vs tors. theta energy: -59.373 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: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -612.539981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.539981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.539981 (E_RNA) where: Base-Base interactions energy: -378.593 where: short stacking energy: -154.002 Base-Backbone interact. energy: -0.843 local terms energy: -233.103535 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -56.407 flat angles C4'-P-C4' energy: -47.503 flat angles P-C4'-P energy: -35.855 tors. eta vs tors. theta energy: -33.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -396.682704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.682704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.682704 (E_RNA) where: Base-Base interactions energy: -232.442 where: short stacking energy: -123.272 Base-Backbone interact. energy: -0.976 local terms energy: -163.264615 where: bonds (distance) C4'-P energy: -58.099 bonds (distance) P-C4' energy: -55.100 flat angles C4'-P-C4' energy: -26.799 flat angles P-C4'-P energy: -19.519 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -356.750322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.750322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.750322 (E_RNA) where: Base-Base interactions energy: -190.711 where: short stacking energy: -96.699 Base-Backbone interact. energy: 2.259 local terms energy: -168.298308 where: bonds (distance) C4'-P energy: -52.400 bonds (distance) P-C4' energy: -39.214 flat angles C4'-P-C4' energy: -46.884 flat angles P-C4'-P energy: -35.744 tors. eta vs tors. theta energy: 5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1044.375046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.375046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.375046 (E_RNA) where: Base-Base interactions energy: -729.858 where: short stacking energy: -309.770 Base-Backbone interact. energy: -2.239 local terms energy: -312.278109 where: bonds (distance) C4'-P energy: -60.277 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -63.274 flat angles P-C4'-P energy: -41.305 tors. eta vs tors. theta energy: -88.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1000.576268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.576268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.576268 (E_RNA) where: Base-Base interactions energy: -674.772 where: short stacking energy: -286.034 Base-Backbone interact. energy: -0.343 local terms energy: -325.461497 where: bonds (distance) C4'-P energy: -59.719 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -76.986 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: -83.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -922.565860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.565860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.565860 (E_RNA) where: Base-Base interactions energy: -627.761 where: short stacking energy: -279.013 Base-Backbone interact. energy: -0.402 local terms energy: -294.402785 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -65.323 flat angles P-C4'-P energy: -39.450 tors. eta vs tors. theta energy: -72.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -904.364394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.364394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.364394 (E_RNA) where: Base-Base interactions energy: -616.088 where: short stacking energy: -278.152 Base-Backbone interact. energy: -2.512 local terms energy: -285.763950 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -58.794 flat angles C4'-P-C4' energy: -56.571 flat angles P-C4'-P energy: -36.309 tors. eta vs tors. theta energy: -81.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -843.600042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.600042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.600042 (E_RNA) where: Base-Base interactions energy: -579.521 where: short stacking energy: -270.320 Base-Backbone interact. energy: -1.218 local terms energy: -262.860508 where: bonds (distance) C4'-P energy: -38.814 bonds (distance) P-C4' energy: -41.307 flat angles C4'-P-C4' energy: -66.837 flat angles P-C4'-P energy: -39.431 tors. eta vs tors. theta energy: -76.472 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: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -790.416477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.416477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.416477 (E_RNA) where: Base-Base interactions energy: -513.316 where: short stacking energy: -244.458 Base-Backbone interact. energy: -0.450 local terms energy: -276.650041 where: bonds (distance) C4'-P energy: -59.819 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -61.956 flat angles P-C4'-P energy: -28.059 tors. eta vs tors. theta energy: -66.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -778.759335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.759335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.759335 (E_RNA) where: Base-Base interactions energy: -533.456 where: short stacking energy: -232.072 Base-Backbone interact. energy: -1.198 local terms energy: -244.105548 where: bonds (distance) C4'-P energy: -46.630 bonds (distance) P-C4' energy: -47.951 flat angles C4'-P-C4' energy: -59.389 flat angles P-C4'-P energy: -30.529 tors. eta vs tors. theta energy: -59.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -640.475097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.475097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.475097 (E_RNA) where: Base-Base interactions energy: -410.528 where: short stacking energy: -180.936 Base-Backbone interact. energy: 1.039 local terms energy: -230.986530 where: bonds (distance) C4'-P energy: -48.539 bonds (distance) P-C4' energy: -54.639 flat angles C4'-P-C4' energy: -62.416 flat angles P-C4'-P energy: -32.733 tors. eta vs tors. theta energy: -32.659 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: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -429.668959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.668959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.668959 (E_RNA) where: Base-Base interactions energy: -246.452 where: short stacking energy: -128.160 Base-Backbone interact. energy: 3.614 local terms energy: -186.830725 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -45.458 flat angles C4'-P-C4' energy: -46.878 flat angles P-C4'-P energy: -33.978 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -366.234947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.234947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.234947 (E_RNA) where: Base-Base interactions energy: -203.889 where: short stacking energy: -112.407 Base-Backbone interact. energy: 1.398 local terms energy: -163.743733 where: bonds (distance) C4'-P energy: -50.302 bonds (distance) P-C4' energy: -35.766 flat angles C4'-P-C4' energy: -48.150 flat angles P-C4'-P energy: -17.129 tors. eta vs tors. theta energy: -12.398 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: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1034.163016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.163016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.163016 (E_RNA) where: Base-Base interactions energy: -728.176 where: short stacking energy: -302.826 Base-Backbone interact. energy: -0.587 local terms energy: -305.400010 where: bonds (distance) C4'-P energy: -60.139 bonds (distance) P-C4' energy: -58.903 flat angles C4'-P-C4' energy: -58.580 flat angles P-C4'-P energy: -44.482 tors. eta vs tors. theta energy: -83.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1038.125394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.125394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.125394 (E_RNA) where: Base-Base interactions energy: -729.548 where: short stacking energy: -312.050 Base-Backbone interact. energy: -0.601 local terms energy: -307.976612 where: bonds (distance) C4'-P energy: -52.638 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -40.343 tors. eta vs tors. theta energy: -94.782 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: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -934.980243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.980243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.980243 (E_RNA) where: Base-Base interactions energy: -644.696 where: short stacking energy: -288.528 Base-Backbone interact. energy: -0.403 local terms energy: -289.880662 where: bonds (distance) C4'-P energy: -54.988 bonds (distance) P-C4' energy: -59.699 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -31.665 tors. eta vs tors. theta energy: -82.209 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: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -898.949034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.949034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.949034 (E_RNA) where: Base-Base interactions energy: -631.784 where: short stacking energy: -266.860 Base-Backbone interact. energy: -0.645 local terms energy: -266.520409 where: bonds (distance) C4'-P energy: -54.460 bonds (distance) P-C4' energy: -46.076 flat angles C4'-P-C4' energy: -56.574 flat angles P-C4'-P energy: -33.956 tors. eta vs tors. theta energy: -75.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -834.552693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.552693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.552693 (E_RNA) where: Base-Base interactions energy: -552.378 where: short stacking energy: -232.925 Base-Backbone interact. energy: -1.835 local terms energy: -280.339688 where: bonds (distance) C4'-P energy: -44.291 bonds (distance) P-C4' energy: -61.884 flat angles C4'-P-C4' energy: -66.481 flat angles P-C4'-P energy: -41.983 tors. eta vs tors. theta energy: -65.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -750.938418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.938418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.938418 (E_RNA) where: Base-Base interactions energy: -490.715 where: short stacking energy: -222.906 Base-Backbone interact. energy: -1.997 local terms energy: -258.226732 where: bonds (distance) C4'-P energy: -47.152 bonds (distance) P-C4' energy: -48.362 flat angles C4'-P-C4' energy: -57.947 flat angles P-C4'-P energy: -39.830 tors. eta vs tors. theta energy: -64.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -743.347663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.347663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.347663 (E_RNA) where: Base-Base interactions energy: -514.582 where: short stacking energy: -221.761 Base-Backbone interact. energy: -0.278 local terms energy: -228.487653 where: bonds (distance) C4'-P energy: -36.764 bonds (distance) P-C4' energy: -50.342 flat angles C4'-P-C4' energy: -47.544 flat angles P-C4'-P energy: -41.946 tors. eta vs tors. theta energy: -51.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -577.060401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.060401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.060401 (E_RNA) where: Base-Base interactions energy: -401.320 where: short stacking energy: -177.289 Base-Backbone interact. energy: -1.501 local terms energy: -174.238932 where: bonds (distance) C4'-P energy: -36.617 bonds (distance) P-C4' energy: -39.927 flat angles C4'-P-C4' energy: -46.017 flat angles P-C4'-P energy: -20.070 tors. eta vs tors. theta energy: -31.608 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: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -379.933514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.933514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.933514 (E_RNA) where: Base-Base interactions energy: -198.568 where: short stacking energy: -127.041 Base-Backbone interact. energy: 1.664 local terms energy: -183.029232 where: bonds (distance) C4'-P energy: -38.465 bonds (distance) P-C4' energy: -60.215 flat angles C4'-P-C4' energy: -50.521 flat angles P-C4'-P energy: -20.178 tors. eta vs tors. theta energy: -13.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -338.104638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.104638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.104638 (E_RNA) where: Base-Base interactions energy: -153.271 where: short stacking energy: -88.642 Base-Backbone interact. energy: 6.445 local terms energy: -191.278346 where: bonds (distance) C4'-P energy: -49.239 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -42.113 flat angles P-C4'-P energy: -28.414 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1034.956814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.956814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.956814 (E_RNA) where: Base-Base interactions energy: -729.317 where: short stacking energy: -311.901 Base-Backbone interact. energy: -1.648 local terms energy: -303.991628 where: bonds (distance) C4'-P energy: -54.565 bonds (distance) P-C4' energy: -62.416 flat angles C4'-P-C4' energy: -62.863 flat angles P-C4'-P energy: -43.684 tors. eta vs tors. theta energy: -80.464 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: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1014.441509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.441509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.441509 (E_RNA) where: Base-Base interactions energy: -703.382 where: short stacking energy: -311.995 Base-Backbone interact. energy: 0.078 local terms energy: -311.138394 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -64.604 flat angles C4'-P-C4' energy: -67.278 flat angles P-C4'-P energy: -37.556 tors. eta vs tors. theta energy: -88.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -939.247312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.247312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.247312 (E_RNA) where: Base-Base interactions energy: -643.887 where: short stacking energy: -295.932 Base-Backbone interact. energy: 0.581 local terms energy: -295.940707 where: bonds (distance) C4'-P energy: -55.829 bonds (distance) P-C4' energy: -49.260 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -43.345 tors. eta vs tors. theta energy: -81.858 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: 181 Temperature: 1.050000 Total energy: -915.706797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.706797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.706797 (E_RNA) where: Base-Base interactions energy: -633.296 where: short stacking energy: -277.576 Base-Backbone interact. energy: -0.147 local terms energy: -282.263189 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -43.804 flat angles C4'-P-C4' energy: -60.415 flat angles P-C4'-P energy: -37.301 tors. eta vs tors. theta energy: -84.184 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: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -860.195621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.195621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.195621 (E_RNA) where: Base-Base interactions energy: -589.051 where: short stacking energy: -253.790 Base-Backbone interact. energy: -1.292 local terms energy: -269.852158 where: bonds (distance) C4'-P energy: -39.949 bonds (distance) P-C4' energy: -57.843 flat angles C4'-P-C4' energy: -65.924 flat angles P-C4'-P energy: -37.818 tors. eta vs tors. theta energy: -68.319 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: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -788.678840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.678840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.678840 (E_RNA) where: Base-Base interactions energy: -524.611 where: short stacking energy: -241.719 Base-Backbone interact. energy: -0.552 local terms energy: -263.515903 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -44.426 flat angles C4'-P-C4' energy: -55.233 flat angles P-C4'-P energy: -41.876 tors. eta vs tors. theta energy: -64.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -729.851951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.851951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.851951 (E_RNA) where: Base-Base interactions energy: -470.659 where: short stacking energy: -225.249 Base-Backbone interact. energy: -1.057 local terms energy: -258.136713 where: bonds (distance) C4'-P energy: -39.480 bonds (distance) P-C4' energy: -46.876 flat angles C4'-P-C4' energy: -57.016 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -72.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -615.628084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.628084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.628084 (E_RNA) where: Base-Base interactions energy: -400.466 where: short stacking energy: -174.455 Base-Backbone interact. energy: 2.210 local terms energy: -217.372532 where: bonds (distance) C4'-P energy: -53.850 bonds (distance) P-C4' energy: -47.973 flat angles C4'-P-C4' energy: -55.553 flat angles P-C4'-P energy: -32.390 tors. eta vs tors. theta energy: -27.607 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -393.638405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.638405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.638405 (E_RNA) where: Base-Base interactions energy: -198.647 where: short stacking energy: -121.923 Base-Backbone interact. energy: -0.112 local terms energy: -194.879255 where: bonds (distance) C4'-P energy: -45.369 bonds (distance) P-C4' energy: -66.552 flat angles C4'-P-C4' energy: -39.487 flat angles P-C4'-P energy: -25.863 tors. eta vs tors. theta energy: -17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -339.760480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.760480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.760480 (E_RNA) where: Base-Base interactions energy: -157.468 where: short stacking energy: -88.065 Base-Backbone interact. energy: -0.302 local terms energy: -181.990111 where: bonds (distance) C4'-P energy: -51.751 bonds (distance) P-C4' energy: -57.760 flat angles C4'-P-C4' energy: -36.725 flat angles P-C4'-P energy: -32.134 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1049.433870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.433870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.433870 (E_RNA) where: Base-Base interactions energy: -740.380 where: short stacking energy: -305.404 Base-Backbone interact. energy: 1.150 local terms energy: -310.203277 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -51.701 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -44.825 tors. eta vs tors. theta energy: -83.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1002.308029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.308029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.308029 (E_RNA) where: Base-Base interactions energy: -684.517 where: short stacking energy: -293.453 Base-Backbone interact. energy: 0.922 local terms energy: -318.713463 where: bonds (distance) C4'-P energy: -67.987 bonds (distance) P-C4' energy: -53.822 flat angles C4'-P-C4' energy: -67.387 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -88.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -931.304405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.304405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.304405 (E_RNA) where: Base-Base interactions energy: -625.941 where: short stacking energy: -283.551 Base-Backbone interact. energy: -2.545 local terms energy: -302.818495 where: bonds (distance) C4'-P energy: -59.997 bonds (distance) P-C4' energy: -58.601 flat angles C4'-P-C4' energy: -64.485 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -77.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -917.215850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.215850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.215850 (E_RNA) where: Base-Base interactions energy: -614.465 where: short stacking energy: -273.731 Base-Backbone interact. energy: -1.120 local terms energy: -301.630655 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -54.990 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -82.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -892.371768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.371768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.371768 (E_RNA) where: Base-Base interactions energy: -633.177 where: short stacking energy: -266.328 Base-Backbone interact. energy: 1.497 local terms energy: -260.691807 where: bonds (distance) C4'-P energy: -55.763 bonds (distance) P-C4' energy: -36.480 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -38.392 tors. eta vs tors. theta energy: -72.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -768.608693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.608693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.608693 (E_RNA) where: Base-Base interactions energy: -516.124 where: short stacking energy: -234.435 Base-Backbone interact. energy: -1.721 local terms energy: -250.763914 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -48.289 flat angles P-C4'-P energy: -22.738 tors. eta vs tors. theta energy: -67.080 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: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -735.124087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.124087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.124087 (E_RNA) where: Base-Base interactions energy: -494.297 where: short stacking energy: -201.758 Base-Backbone interact. energy: -1.525 local terms energy: -239.301919 where: bonds (distance) C4'-P energy: -44.670 bonds (distance) P-C4' energy: -48.902 flat angles C4'-P-C4' energy: -52.354 flat angles P-C4'-P energy: -45.261 tors. eta vs tors. theta energy: -48.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -650.986864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.986864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.986864 (E_RNA) where: Base-Base interactions energy: -417.337 where: short stacking energy: -187.148 Base-Backbone interact. energy: 0.356 local terms energy: -234.005955 where: bonds (distance) C4'-P energy: -53.515 bonds (distance) P-C4' energy: -58.610 flat angles C4'-P-C4' energy: -58.911 flat angles P-C4'-P energy: -23.967 tors. eta vs tors. theta energy: -39.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -413.555682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.555682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.555682 (E_RNA) where: Base-Base interactions energy: -236.235 where: short stacking energy: -117.079 Base-Backbone interact. energy: -1.571 local terms energy: -175.749847 where: bonds (distance) C4'-P energy: -34.755 bonds (distance) P-C4' energy: -59.524 flat angles C4'-P-C4' energy: -50.571 flat angles P-C4'-P energy: -24.686 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -403.288282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.288282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.288282 (E_RNA) where: Base-Base interactions energy: -227.868 where: short stacking energy: -103.051 Base-Backbone interact. energy: -0.085 local terms energy: -175.334991 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -36.966 flat angles P-C4'-P energy: -22.405 tors. eta vs tors. theta energy: -2.281 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: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1050.850702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.850702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.850702 (E_RNA) where: Base-Base interactions energy: -731.299 where: short stacking energy: -307.577 Base-Backbone interact. energy: -0.667 local terms energy: -318.884114 where: bonds (distance) C4'-P energy: -60.620 bonds (distance) P-C4' energy: -61.652 flat angles C4'-P-C4' energy: -63.169 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -82.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -955.941412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.941412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.941412 (E_RNA) where: Base-Base interactions energy: -653.253 where: short stacking energy: -281.267 Base-Backbone interact. energy: 2.513 local terms energy: -305.202038 where: bonds (distance) C4'-P energy: -59.191 bonds (distance) P-C4' energy: -57.260 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -49.759 tors. eta vs tors. theta energy: -72.696 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: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -992.391175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.391175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.391175 (E_RNA) where: Base-Base interactions energy: -675.690 where: short stacking energy: -295.534 Base-Backbone interact. energy: -0.407 local terms energy: -316.294533 where: bonds (distance) C4'-P energy: -60.262 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -54.811 flat angles P-C4'-P energy: -47.063 tors. eta vs tors. theta energy: -91.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -896.220766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.220766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.220766 (E_RNA) where: Base-Base interactions energy: -627.882 where: short stacking energy: -247.402 Base-Backbone interact. energy: -1.552 local terms energy: -266.786911 where: bonds (distance) C4'-P energy: -57.859 bonds (distance) P-C4' energy: -52.118 flat angles C4'-P-C4' energy: -59.548 flat angles P-C4'-P energy: -32.675 tors. eta vs tors. theta energy: -64.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -863.795997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.795997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.795997 (E_RNA) where: Base-Base interactions energy: -600.416 where: short stacking energy: -268.333 Base-Backbone interact. energy: 1.970 local terms energy: -265.350448 where: bonds (distance) C4'-P energy: -48.861 bonds (distance) P-C4' energy: -52.164 flat angles C4'-P-C4' energy: -57.505 flat angles P-C4'-P energy: -35.263 tors. eta vs tors. theta energy: -71.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -788.644733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.644733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.644733 (E_RNA) where: Base-Base interactions energy: -542.119 where: short stacking energy: -240.613 Base-Backbone interact. energy: -0.658 local terms energy: -245.868071 where: bonds (distance) C4'-P energy: -51.056 bonds (distance) P-C4' energy: -43.472 flat angles C4'-P-C4' energy: -64.007 flat angles P-C4'-P energy: -25.141 tors. eta vs tors. theta energy: -62.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -736.442322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.442322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.442322 (E_RNA) where: Base-Base interactions energy: -480.991 where: short stacking energy: -232.406 Base-Backbone interact. energy: -0.951 local terms energy: -254.500709 where: bonds (distance) C4'-P energy: -38.306 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -59.332 flat angles P-C4'-P energy: -37.775 tors. eta vs tors. theta energy: -60.839 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: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -674.969108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.969108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.969108 (E_RNA) where: Base-Base interactions energy: -454.559 where: short stacking energy: -197.484 Base-Backbone interact. energy: -0.438 local terms energy: -219.972242 where: bonds (distance) C4'-P energy: -44.475 bonds (distance) P-C4' energy: -55.300 flat angles C4'-P-C4' energy: -53.774 flat angles P-C4'-P energy: -32.420 tors. eta vs tors. theta energy: -34.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -432.420695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.420695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.420695 (E_RNA) where: Base-Base interactions energy: -241.951 where: short stacking energy: -134.054 Base-Backbone interact. energy: 0.010 local terms energy: -190.480420 where: bonds (distance) C4'-P energy: -41.259 bonds (distance) P-C4' energy: -51.364 flat angles C4'-P-C4' energy: -47.359 flat angles P-C4'-P energy: -31.378 tors. eta vs tors. theta energy: -19.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -376.543030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.543030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.543030 (E_RNA) where: Base-Base interactions energy: -201.389 where: short stacking energy: -123.835 Base-Backbone interact. energy: -0.137 local terms energy: -175.016740 where: bonds (distance) C4'-P energy: -48.837 bonds (distance) P-C4' energy: -45.739 flat angles C4'-P-C4' energy: -32.665 flat angles P-C4'-P energy: -34.636 tors. eta vs tors. theta energy: -13.139 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: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1040.155570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.155570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.155570 (E_RNA) where: Base-Base interactions energy: -722.405 where: short stacking energy: -314.281 Base-Backbone interact. energy: 0.717 local terms energy: -318.467408 where: bonds (distance) C4'-P energy: -58.915 bonds (distance) P-C4' energy: -66.832 flat angles C4'-P-C4' energy: -63.361 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -87.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -974.142708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.142708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.142708 (E_RNA) where: Base-Base interactions energy: -677.693 where: short stacking energy: -314.118 Base-Backbone interact. energy: -0.557 local terms energy: -295.892859 where: bonds (distance) C4'-P energy: -48.781 bonds (distance) P-C4' energy: -53.443 flat angles C4'-P-C4' energy: -66.688 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -85.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -988.207442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.207442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.207442 (E_RNA) where: Base-Base interactions energy: -676.781 where: short stacking energy: -298.403 Base-Backbone interact. energy: -0.003 local terms energy: -311.423654 where: bonds (distance) C4'-P energy: -60.029 bonds (distance) P-C4' energy: -55.169 flat angles C4'-P-C4' energy: -59.422 flat angles P-C4'-P energy: -46.025 tors. eta vs tors. theta energy: -90.778 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: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -876.287225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.287225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.287225 (E_RNA) where: Base-Base interactions energy: -592.778 where: short stacking energy: -255.895 Base-Backbone interact. energy: -0.262 local terms energy: -283.247205 where: bonds (distance) C4'-P energy: -51.258 bonds (distance) P-C4' energy: -51.002 flat angles C4'-P-C4' energy: -68.774 flat angles P-C4'-P energy: -32.294 tors. eta vs tors. theta energy: -79.920 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: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -849.886856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.886856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.886856 (E_RNA) where: Base-Base interactions energy: -574.200 where: short stacking energy: -244.579 Base-Backbone interact. energy: -0.124 local terms energy: -275.562003 where: bonds (distance) C4'-P energy: -56.336 bonds (distance) P-C4' energy: -49.994 flat angles C4'-P-C4' energy: -62.498 flat angles P-C4'-P energy: -40.280 tors. eta vs tors. theta energy: -66.454 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: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -760.814095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.814095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.814095 (E_RNA) where: Base-Base interactions energy: -523.400 where: short stacking energy: -242.621 Base-Backbone interact. energy: -0.465 local terms energy: -236.948494 where: bonds (distance) C4'-P energy: -40.080 bonds (distance) P-C4' energy: -52.979 flat angles C4'-P-C4' energy: -53.771 flat angles P-C4'-P energy: -31.199 tors. eta vs tors. theta energy: -58.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -675.553362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.553362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.553362 (E_RNA) where: Base-Base interactions energy: -446.120 where: short stacking energy: -212.318 Base-Backbone interact. energy: -0.734 local terms energy: -228.699209 where: bonds (distance) C4'-P energy: -53.718 bonds (distance) P-C4' energy: -44.382 flat angles C4'-P-C4' energy: -60.779 flat angles P-C4'-P energy: -29.222 tors. eta vs tors. theta energy: -40.598 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: 184 Temperature: 1.250000 Total energy: -728.838702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.838702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.838702 (E_RNA) where: Base-Base interactions energy: -474.793 where: short stacking energy: -211.360 Base-Backbone interact. energy: 1.798 local terms energy: -255.843725 where: bonds (distance) C4'-P energy: -58.091 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -51.531 flat angles P-C4'-P energy: -30.453 tors. eta vs tors. theta energy: -56.148 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: 184 Temperature: 1.300000 Total energy: -445.411072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.411072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.411072 (E_RNA) where: Base-Base interactions energy: -250.184 where: short stacking energy: -119.855 Base-Backbone interact. energy: -1.424 local terms energy: -193.802609 where: bonds (distance) C4'-P energy: -44.693 bonds (distance) P-C4' energy: -58.959 flat angles C4'-P-C4' energy: -46.770 flat angles P-C4'-P energy: -34.431 tors. eta vs tors. theta energy: -8.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -340.785548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.785548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.785548 (E_RNA) where: Base-Base interactions energy: -193.273 where: short stacking energy: -106.704 Base-Backbone interact. energy: 1.858 local terms energy: -149.371238 where: bonds (distance) C4'-P energy: -39.495 bonds (distance) P-C4' energy: -54.914 flat angles C4'-P-C4' energy: -40.135 flat angles P-C4'-P energy: -20.076 tors. eta vs tors. theta energy: 5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1035.357676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.357676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.357676 (E_RNA) where: Base-Base interactions energy: -717.310 where: short stacking energy: -303.708 Base-Backbone interact. energy: -0.620 local terms energy: -317.427165 where: bonds (distance) C4'-P energy: -59.621 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -66.913 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: -86.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -981.869629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.869629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.869629 (E_RNA) where: Base-Base interactions energy: -669.434 where: short stacking energy: -297.703 Base-Backbone interact. energy: -1.273 local terms energy: -311.162665 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -53.283 flat angles C4'-P-C4' energy: -68.202 flat angles P-C4'-P energy: -38.284 tors. eta vs tors. theta energy: -87.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -986.738423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.738423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.738423 (E_RNA) where: Base-Base interactions energy: -692.638 where: short stacking energy: -294.915 Base-Backbone interact. energy: 1.939 local terms energy: -296.039333 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: -82.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -903.756263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.756263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.756263 (E_RNA) where: Base-Base interactions energy: -612.419 where: short stacking energy: -288.813 Base-Backbone interact. energy: 2.217 local terms energy: -293.554257 where: bonds (distance) C4'-P energy: -52.188 bonds (distance) P-C4' energy: -55.038 flat angles C4'-P-C4' energy: -56.005 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -86.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -850.103842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.103842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.103842 (E_RNA) where: Base-Base interactions energy: -576.905 where: short stacking energy: -241.247 Base-Backbone interact. energy: -0.136 local terms energy: -273.062895 where: bonds (distance) C4'-P energy: -53.543 bonds (distance) P-C4' energy: -57.834 flat angles C4'-P-C4' energy: -52.327 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -66.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -775.700176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.700176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.700176 (E_RNA) where: Base-Base interactions energy: -516.098 where: short stacking energy: -226.011 Base-Backbone interact. energy: 0.347 local terms energy: -259.949425 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -52.027 flat angles C4'-P-C4' energy: -53.095 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -53.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -657.508376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.508376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.508376 (E_RNA) where: Base-Base interactions energy: -442.104 where: short stacking energy: -191.437 Base-Backbone interact. energy: -0.443 local terms energy: -214.961498 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -39.236 flat angles P-C4'-P energy: -18.462 tors. eta vs tors. theta energy: -39.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -735.406911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.406911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.406911 (E_RNA) where: Base-Base interactions energy: -511.470 where: short stacking energy: -213.129 Base-Backbone interact. energy: 2.379 local terms energy: -226.315948 where: bonds (distance) C4'-P energy: -47.749 bonds (distance) P-C4' energy: -45.633 flat angles C4'-P-C4' energy: -47.455 flat angles P-C4'-P energy: -28.653 tors. eta vs tors. theta energy: -56.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -430.229471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.229471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.229471 (E_RNA) where: Base-Base interactions energy: -253.331 where: short stacking energy: -123.862 Base-Backbone interact. energy: -0.807 local terms energy: -176.091783 where: bonds (distance) C4'-P energy: -44.924 bonds (distance) P-C4' energy: -57.570 flat angles C4'-P-C4' energy: -49.565 flat angles P-C4'-P energy: -25.523 tors. eta vs tors. theta energy: 1.490 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: 185 Temperature: 1.350000 Total energy: -331.235792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.235792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.235792 (E_RNA) where: Base-Base interactions energy: -167.073 where: short stacking energy: -88.303 Base-Backbone interact. energy: -1.104 local terms energy: -163.058674 where: bonds (distance) C4'-P energy: -40.656 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -42.933 flat angles P-C4'-P energy: -19.643 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1042.314322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.314322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.314322 (E_RNA) where: Base-Base interactions energy: -732.767 where: short stacking energy: -316.155 Base-Backbone interact. energy: -0.773 local terms energy: -308.774899 where: bonds (distance) C4'-P energy: -54.045 bonds (distance) P-C4' energy: -58.270 flat angles C4'-P-C4' energy: -61.023 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -87.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -969.274982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.274982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.274982 (E_RNA) where: Base-Base interactions energy: -652.457 where: short stacking energy: -301.540 Base-Backbone interact. energy: -1.223 local terms energy: -315.594707 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -59.439 flat angles C4'-P-C4' energy: -60.055 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -85.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -990.029109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.029109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.029109 (E_RNA) where: Base-Base interactions energy: -688.422 where: short stacking energy: -284.458 Base-Backbone interact. energy: -1.985 local terms energy: -299.622367 where: bonds (distance) C4'-P energy: -62.810 bonds (distance) P-C4' energy: -50.681 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -35.621 tors. eta vs tors. theta energy: -84.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -871.744224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.744224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.744224 (E_RNA) where: Base-Base interactions energy: -598.882 where: short stacking energy: -258.539 Base-Backbone interact. energy: -1.045 local terms energy: -271.817274 where: bonds (distance) C4'-P energy: -40.325 bonds (distance) P-C4' energy: -57.535 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -62.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -867.295770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.295770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.295770 (E_RNA) where: Base-Base interactions energy: -582.140 where: short stacking energy: -263.532 Base-Backbone interact. energy: -0.837 local terms energy: -284.318450 where: bonds (distance) C4'-P energy: -49.735 bonds (distance) P-C4' energy: -61.151 flat angles C4'-P-C4' energy: -64.468 flat angles P-C4'-P energy: -29.072 tors. eta vs tors. theta energy: -79.892 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: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -804.602034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.602034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.602034 (E_RNA) where: Base-Base interactions energy: -538.140 where: short stacking energy: -237.540 Base-Backbone interact. energy: -1.384 local terms energy: -265.078185 where: bonds (distance) C4'-P energy: -54.215 bonds (distance) P-C4' energy: -52.830 flat angles C4'-P-C4' energy: -59.565 flat angles P-C4'-P energy: -42.477 tors. eta vs tors. theta energy: -55.992 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: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -744.247545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.247545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.247545 (E_RNA) where: Base-Base interactions energy: -480.295 where: short stacking energy: -195.357 Base-Backbone interact. energy: -0.802 local terms energy: -263.151320 where: bonds (distance) C4'-P energy: -56.813 bonds (distance) P-C4' energy: -62.206 flat angles C4'-P-C4' energy: -57.642 flat angles P-C4'-P energy: -39.879 tors. eta vs tors. theta energy: -46.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -665.106538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.106538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.106538 (E_RNA) where: Base-Base interactions energy: -446.061 where: short stacking energy: -196.574 Base-Backbone interact. energy: -1.603 local terms energy: -217.443116 where: bonds (distance) C4'-P energy: -41.914 bonds (distance) P-C4' energy: -54.511 flat angles C4'-P-C4' energy: -52.694 flat angles P-C4'-P energy: -29.098 tors. eta vs tors. theta energy: -39.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -369.641893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.641893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.641893 (E_RNA) where: Base-Base interactions energy: -185.506 where: short stacking energy: -114.785 Base-Backbone interact. energy: -1.019 local terms energy: -183.117382 where: bonds (distance) C4'-P energy: -46.170 bonds (distance) P-C4' energy: -50.607 flat angles C4'-P-C4' energy: -37.312 flat angles P-C4'-P energy: -35.707 tors. eta vs tors. theta energy: -13.322 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: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -413.293733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.293733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.293733 (E_RNA) where: Base-Base interactions energy: -251.453 where: short stacking energy: -127.588 Base-Backbone interact. energy: 0.266 local terms energy: -162.106794 where: bonds (distance) C4'-P energy: -34.504 bonds (distance) P-C4' energy: -37.990 flat angles C4'-P-C4' energy: -44.242 flat angles P-C4'-P energy: -35.145 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1040.705404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.705404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.705404 (E_RNA) where: Base-Base interactions energy: -732.645 where: short stacking energy: -310.036 Base-Backbone interact. energy: -1.174 local terms energy: -306.885684 where: bonds (distance) C4'-P energy: -54.838 bonds (distance) P-C4' energy: -55.557 flat angles C4'-P-C4' energy: -70.859 flat angles P-C4'-P energy: -39.841 tors. eta vs tors. theta energy: -85.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1008.937549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.937549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.937549 (E_RNA) where: Base-Base interactions energy: -703.911 where: short stacking energy: -293.067 Base-Backbone interact. energy: -0.121 local terms energy: -304.905969 where: bonds (distance) C4'-P energy: -57.352 bonds (distance) P-C4' energy: -57.881 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -41.140 tors. eta vs tors. theta energy: -81.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -925.344492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.344492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.344492 (E_RNA) where: Base-Base interactions energy: -629.750 where: short stacking energy: -277.414 Base-Backbone interact. energy: -1.573 local terms energy: -294.021309 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -67.572 flat angles P-C4'-P energy: -31.785 tors. eta vs tors. theta energy: -74.823 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: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -873.519693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.519693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.519693 (E_RNA) where: Base-Base interactions energy: -602.248 where: short stacking energy: -245.271 Base-Backbone interact. energy: 0.883 local terms energy: -272.154431 where: bonds (distance) C4'-P energy: -48.427 bonds (distance) P-C4' energy: -64.196 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -30.917 tors. eta vs tors. theta energy: -66.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -888.484184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.484184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.484184 (E_RNA) where: Base-Base interactions energy: -614.197 where: short stacking energy: -256.119 Base-Backbone interact. energy: 0.944 local terms energy: -275.230627 where: bonds (distance) C4'-P energy: -48.315 bonds (distance) P-C4' energy: -54.823 flat angles C4'-P-C4' energy: -59.412 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -73.363 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: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -764.188902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.188902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.188902 (E_RNA) where: Base-Base interactions energy: -504.150 where: short stacking energy: -218.344 Base-Backbone interact. energy: -0.550 local terms energy: -259.488867 where: bonds (distance) C4'-P energy: -50.419 bonds (distance) P-C4' energy: -56.259 flat angles C4'-P-C4' energy: -60.873 flat angles P-C4'-P energy: -32.509 tors. eta vs tors. theta energy: -59.429 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: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -751.696289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.696289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.696289 (E_RNA) where: Base-Base interactions energy: -500.837 where: short stacking energy: -210.391 Base-Backbone interact. energy: 2.443 local terms energy: -253.302652 where: bonds (distance) C4'-P energy: -47.726 bonds (distance) P-C4' energy: -59.453 flat angles C4'-P-C4' energy: -55.270 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -49.889 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: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -642.164458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.164458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.164458 (E_RNA) where: Base-Base interactions energy: -425.695 where: short stacking energy: -183.841 Base-Backbone interact. energy: -0.854 local terms energy: -215.615896 where: bonds (distance) C4'-P energy: -46.270 bonds (distance) P-C4' energy: -45.261 flat angles C4'-P-C4' energy: -48.932 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -37.238 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: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -365.616904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.616904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.616904 (E_RNA) where: Base-Base interactions energy: -174.630 where: short stacking energy: -112.956 Base-Backbone interact. energy: 4.311 local terms energy: -195.297226 where: bonds (distance) C4'-P energy: -54.547 bonds (distance) P-C4' energy: -41.560 flat angles C4'-P-C4' energy: -54.418 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: -11.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -400.798013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.798013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.798013 (E_RNA) where: Base-Base interactions energy: -228.018 where: short stacking energy: -102.180 Base-Backbone interact. energy: -0.569 local terms energy: -172.211484 where: bonds (distance) C4'-P energy: -37.365 bonds (distance) P-C4' energy: -54.870 flat angles C4'-P-C4' energy: -43.170 flat angles P-C4'-P energy: -31.255 tors. eta vs tors. theta energy: -5.553 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: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1051.103469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.103469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.103469 (E_RNA) where: Base-Base interactions energy: -737.759 where: short stacking energy: -313.592 Base-Backbone interact. energy: 0.425 local terms energy: -313.768960 where: bonds (distance) C4'-P energy: -57.261 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -62.131 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -86.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1022.373569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.373569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.373569 (E_RNA) where: Base-Base interactions energy: -703.661 where: short stacking energy: -298.475 Base-Backbone interact. energy: -1.178 local terms energy: -317.534407 where: bonds (distance) C4'-P energy: -56.199 bonds (distance) P-C4' energy: -60.524 flat angles C4'-P-C4' energy: -69.853 flat angles P-C4'-P energy: -39.639 tors. eta vs tors. theta energy: -91.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -929.824939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.824939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.824939 (E_RNA) where: Base-Base interactions energy: -635.606 where: short stacking energy: -280.692 Base-Backbone interact. energy: 1.052 local terms energy: -295.271538 where: bonds (distance) C4'-P energy: -53.191 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -58.739 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -80.571 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: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -918.794554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.794554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.794554 (E_RNA) where: Base-Base interactions energy: -637.992 where: short stacking energy: -261.200 Base-Backbone interact. energy: -2.436 local terms energy: -278.366286 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -58.828 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -37.688 tors. eta vs tors. theta energy: -60.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -851.800762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.800762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.800762 (E_RNA) where: Base-Base interactions energy: -587.126 where: short stacking energy: -248.534 Base-Backbone interact. energy: -2.652 local terms energy: -262.022566 where: bonds (distance) C4'-P energy: -42.873 bonds (distance) P-C4' energy: -51.074 flat angles C4'-P-C4' energy: -57.812 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -71.767 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: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -797.294555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.294555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.294555 (E_RNA) where: Base-Base interactions energy: -525.411 where: short stacking energy: -241.928 Base-Backbone interact. energy: -2.225 local terms energy: -269.658623 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -44.227 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -40.920 tors. eta vs tors. theta energy: -60.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -770.226273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.226273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.226273 (E_RNA) where: Base-Base interactions energy: -514.302 where: short stacking energy: -217.250 Base-Backbone interact. energy: 1.545 local terms energy: -257.469677 where: bonds (distance) C4'-P energy: -59.308 bonds (distance) P-C4' energy: -62.256 flat angles C4'-P-C4' energy: -51.456 flat angles P-C4'-P energy: -22.045 tors. eta vs tors. theta energy: -62.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -607.451786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.451786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.451786 (E_RNA) where: Base-Base interactions energy: -406.598 where: short stacking energy: -172.247 Base-Backbone interact. energy: -0.151 local terms energy: -200.702162 where: bonds (distance) C4'-P energy: -43.551 bonds (distance) P-C4' energy: -54.220 flat angles C4'-P-C4' energy: -40.990 flat angles P-C4'-P energy: -27.832 tors. eta vs tors. theta energy: -34.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -391.379058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.379058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.379058 (E_RNA) where: Base-Base interactions energy: -208.215 where: short stacking energy: -103.378 Base-Backbone interact. energy: 0.331 local terms energy: -183.494777 where: bonds (distance) C4'-P energy: -51.272 bonds (distance) P-C4' energy: -48.268 flat angles C4'-P-C4' energy: -48.734 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -7.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -317.069710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.069710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.069710 (E_RNA) where: Base-Base interactions energy: -159.468 where: short stacking energy: -98.118 Base-Backbone interact. energy: -0.488 local terms energy: -157.113952 where: bonds (distance) C4'-P energy: -50.579 bonds (distance) P-C4' energy: -43.416 flat angles C4'-P-C4' energy: -30.755 flat angles P-C4'-P energy: -28.801 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1039.951611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.951611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.951611 (E_RNA) where: Base-Base interactions energy: -731.879 where: short stacking energy: -314.063 Base-Backbone interact. energy: 0.213 local terms energy: -308.286402 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -57.019 flat angles C4'-P-C4' energy: -63.484 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: -86.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1015.840009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.840009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.840009 (E_RNA) where: Base-Base interactions energy: -711.069 where: short stacking energy: -308.876 Base-Backbone interact. energy: -0.844 local terms energy: -303.927254 where: bonds (distance) C4'-P energy: -60.177 bonds (distance) P-C4' energy: -53.074 flat angles C4'-P-C4' energy: -58.083 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: -89.926 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: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -988.042215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.042215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.042215 (E_RNA) where: Base-Base interactions energy: -682.594 where: short stacking energy: -291.158 Base-Backbone interact. energy: -2.350 local terms energy: -303.098660 where: bonds (distance) C4'-P energy: -56.133 bonds (distance) P-C4' energy: -58.292 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -47.377 tors. eta vs tors. theta energy: -79.949 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: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -907.653497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.653497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.653497 (E_RNA) where: Base-Base interactions energy: -627.792 where: short stacking energy: -266.280 Base-Backbone interact. energy: -2.172 local terms energy: -277.690045 where: bonds (distance) C4'-P energy: -47.062 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -65.630 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -69.883 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: 5, replica: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -848.748251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.748251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.748251 (E_RNA) where: Base-Base interactions energy: -590.785 where: short stacking energy: -252.539 Base-Backbone interact. energy: -0.303 local terms energy: -257.659765 where: bonds (distance) C4'-P energy: -44.383 bonds (distance) P-C4' energy: -52.058 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -32.057 tors. eta vs tors. theta energy: -65.344 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: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -816.356300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.356300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.356300 (E_RNA) where: Base-Base interactions energy: -556.560 where: short stacking energy: -208.761 Base-Backbone interact. energy: -1.259 local terms energy: -258.537256 where: bonds (distance) C4'-P energy: -55.346 bonds (distance) P-C4' energy: -54.140 flat angles C4'-P-C4' energy: -55.288 flat angles P-C4'-P energy: -30.899 tors. eta vs tors. theta energy: -62.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -736.057372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.057372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.057372 (E_RNA) where: Base-Base interactions energy: -490.885 where: short stacking energy: -210.508 Base-Backbone interact. energy: 1.700 local terms energy: -246.871607 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -53.066 flat angles C4'-P-C4' energy: -54.068 flat angles P-C4'-P energy: -28.626 tors. eta vs tors. theta energy: -55.080 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: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -646.855506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.855506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.855506 (E_RNA) where: Base-Base interactions energy: -410.234 where: short stacking energy: -171.422 Base-Backbone interact. energy: -1.324 local terms energy: -235.297748 where: bonds (distance) C4'-P energy: -57.458 bonds (distance) P-C4' energy: -53.108 flat angles C4'-P-C4' energy: -55.996 flat angles P-C4'-P energy: -36.805 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: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -398.055158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.055158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.055158 (E_RNA) where: Base-Base interactions energy: -232.624 where: short stacking energy: -136.364 Base-Backbone interact. energy: -1.063 local terms energy: -164.368571 where: bonds (distance) C4'-P energy: -38.754 bonds (distance) P-C4' energy: -45.351 flat angles C4'-P-C4' energy: -51.505 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -20.306 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: 189 Temperature: 1.350000 Total energy: -352.884533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.884533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.884533 (E_RNA) where: Base-Base interactions energy: -176.903 where: short stacking energy: -98.934 Base-Backbone interact. energy: 1.714 local terms energy: -177.694979 where: bonds (distance) C4'-P energy: -48.957 bonds (distance) P-C4' energy: -45.686 flat angles C4'-P-C4' energy: -44.711 flat angles P-C4'-P energy: -27.981 tors. eta vs tors. theta energy: -10.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1037.523086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.523086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.523086 (E_RNA) where: Base-Base interactions energy: -716.917 where: short stacking energy: -318.752 Base-Backbone interact. energy: -0.694 local terms energy: -319.911826 where: bonds (distance) C4'-P energy: -59.409 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -66.813 flat angles P-C4'-P energy: -42.964 tors. eta vs tors. theta energy: -90.074 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: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -996.955110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.955110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.955110 (E_RNA) where: Base-Base interactions energy: -679.215 where: short stacking energy: -279.890 Base-Backbone interact. energy: -2.332 local terms energy: -315.407627 where: bonds (distance) C4'-P energy: -60.639 bonds (distance) P-C4' energy: -59.403 flat angles C4'-P-C4' energy: -66.666 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -86.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -961.270949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.270949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.270949 (E_RNA) where: Base-Base interactions energy: -669.417 where: short stacking energy: -294.212 Base-Backbone interact. energy: 0.811 local terms energy: -292.664898 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -59.679 flat angles C4'-P-C4' energy: -58.625 flat angles P-C4'-P energy: -41.841 tors. eta vs tors. theta energy: -77.190 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: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -908.391972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.391972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.391972 (E_RNA) where: Base-Base interactions energy: -632.392 where: short stacking energy: -251.773 Base-Backbone interact. energy: -1.222 local terms energy: -274.777856 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -56.871 flat angles C4'-P-C4' energy: -55.281 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: -67.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -823.039844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.039844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.039844 (E_RNA) where: Base-Base interactions energy: -566.658 where: short stacking energy: -251.306 Base-Backbone interact. energy: -0.558 local terms energy: -255.823613 where: bonds (distance) C4'-P energy: -56.272 bonds (distance) P-C4' energy: -43.632 flat angles C4'-P-C4' energy: -54.757 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: -63.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -784.255254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.255254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.255254 (E_RNA) where: Base-Base interactions energy: -525.542 where: short stacking energy: -238.951 Base-Backbone interact. energy: -0.246 local terms energy: -258.467253 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -48.967 flat angles C4'-P-C4' energy: -56.027 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -58.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -744.625750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.625750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.625750 (E_RNA) where: Base-Base interactions energy: -508.124 where: short stacking energy: -216.095 Base-Backbone interact. energy: -0.678 local terms energy: -235.824097 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -49.672 flat angles C4'-P-C4' energy: -51.004 flat angles P-C4'-P energy: -31.321 tors. eta vs tors. theta energy: -48.238 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: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -640.528462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.528462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.528462 (E_RNA) where: Base-Base interactions energy: -414.211 where: short stacking energy: -171.875 Base-Backbone interact. energy: -1.074 local terms energy: -225.243651 where: bonds (distance) C4'-P energy: -57.393 bonds (distance) P-C4' energy: -52.684 flat angles C4'-P-C4' energy: -52.067 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: -30.985 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -367.988155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.988155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.988155 (E_RNA) where: Base-Base interactions energy: -174.951 where: short stacking energy: -105.776 Base-Backbone interact. energy: -1.165 local terms energy: -191.872190 where: bonds (distance) C4'-P energy: -62.301 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -48.493 flat angles P-C4'-P energy: -26.619 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -399.503407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.503407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.503407 (E_RNA) where: Base-Base interactions energy: -227.868 where: short stacking energy: -121.511 Base-Backbone interact. energy: -0.941 local terms energy: -170.694484 where: bonds (distance) C4'-P energy: -39.218 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -40.291 flat angles P-C4'-P energy: -32.346 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1044.930778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.930778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.930778 (E_RNA) where: Base-Base interactions energy: -727.002 where: short stacking energy: -313.880 Base-Backbone interact. energy: -0.041 local terms energy: -317.888204 where: bonds (distance) C4'-P energy: -63.247 bonds (distance) P-C4' energy: -51.386 flat angles C4'-P-C4' energy: -65.388 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -89.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -991.240322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.240322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.240322 (E_RNA) where: Base-Base interactions energy: -694.080 where: short stacking energy: -294.882 Base-Backbone interact. energy: 0.718 local terms energy: -297.879006 where: bonds (distance) C4'-P energy: -54.918 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -61.332 flat angles P-C4'-P energy: -43.002 tors. eta vs tors. theta energy: -78.571 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: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -977.768933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.768933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.768933 (E_RNA) where: Base-Base interactions energy: -675.835 where: short stacking energy: -294.741 Base-Backbone interact. energy: -1.253 local terms energy: -300.680939 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -56.576 flat angles C4'-P-C4' energy: -63.901 flat angles P-C4'-P energy: -39.213 tors. eta vs tors. theta energy: -80.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -931.572631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.572631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.572631 (E_RNA) where: Base-Base interactions energy: -651.661 where: short stacking energy: -267.893 Base-Backbone interact. energy: -1.710 local terms energy: -278.202197 where: bonds (distance) C4'-P energy: -53.626 bonds (distance) P-C4' energy: -52.659 flat angles C4'-P-C4' energy: -58.154 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: -72.474 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: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -805.534759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.534759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.534759 (E_RNA) where: Base-Base interactions energy: -542.423 where: short stacking energy: -238.923 Base-Backbone interact. energy: -0.929 local terms energy: -262.182072 where: bonds (distance) C4'-P energy: -52.321 bonds (distance) P-C4' energy: -49.707 flat angles C4'-P-C4' energy: -55.964 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -65.195 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: 191 Temperature: 1.150000 Total energy: -807.250031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.250031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.250031 (E_RNA) where: Base-Base interactions energy: -547.471 where: short stacking energy: -232.901 Base-Backbone interact. energy: -0.832 local terms energy: -258.946806 where: bonds (distance) C4'-P energy: -55.523 bonds (distance) P-C4' energy: -37.581 flat angles C4'-P-C4' energy: -61.490 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -65.491 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -782.866737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.866737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.866737 (E_RNA) where: Base-Base interactions energy: -540.036 where: short stacking energy: -241.043 Base-Backbone interact. energy: 0.448 local terms energy: -243.279238 where: bonds (distance) C4'-P energy: -38.426 bonds (distance) P-C4' energy: -48.625 flat angles C4'-P-C4' energy: -59.649 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: -57.096 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: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -630.737371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.737371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.737371 (E_RNA) where: Base-Base interactions energy: -415.699 where: short stacking energy: -183.418 Base-Backbone interact. energy: -0.643 local terms energy: -214.395777 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -52.195 flat angles C4'-P-C4' energy: -39.908 flat angles P-C4'-P energy: -44.783 tors. eta vs tors. theta energy: -29.950 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: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -387.153618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.153618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.153618 (E_RNA) where: Base-Base interactions energy: -195.278 where: short stacking energy: -111.118 Base-Backbone interact. energy: -0.333 local terms energy: -191.542887 where: bonds (distance) C4'-P energy: -48.977 bonds (distance) P-C4' energy: -44.396 flat angles C4'-P-C4' energy: -55.853 flat angles P-C4'-P energy: -31.589 tors. eta vs tors. theta energy: -10.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -385.558502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.558502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.558502 (E_RNA) where: Base-Base interactions energy: -201.310 where: short stacking energy: -114.324 Base-Backbone interact. energy: -0.869 local terms energy: -183.379680 where: bonds (distance) C4'-P energy: -43.842 bonds (distance) P-C4' energy: -52.476 flat angles C4'-P-C4' energy: -44.590 flat angles P-C4'-P energy: -32.726 tors. eta vs tors. theta energy: -9.745 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: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1021.927918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.927918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.927918 (E_RNA) where: Base-Base interactions energy: -710.520 where: short stacking energy: -306.787 Base-Backbone interact. energy: -1.817 local terms energy: -309.590936 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -52.928 flat angles C4'-P-C4' energy: -67.871 flat angles P-C4'-P energy: -45.707 tors. eta vs tors. theta energy: -83.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -989.752725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.752725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.752725 (E_RNA) where: Base-Base interactions energy: -674.397 where: short stacking energy: -299.889 Base-Backbone interact. energy: -0.390 local terms energy: -314.964936 where: bonds (distance) C4'-P energy: -51.783 bonds (distance) P-C4' energy: -59.310 flat angles C4'-P-C4' energy: -69.924 flat angles P-C4'-P energy: -47.758 tors. eta vs tors. theta energy: -86.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -977.267652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.267652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.267652 (E_RNA) where: Base-Base interactions energy: -678.862 where: short stacking energy: -301.334 Base-Backbone interact. energy: -0.658 local terms energy: -297.747323 where: bonds (distance) C4'-P energy: -62.249 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -63.046 flat angles P-C4'-P energy: -33.373 tors. eta vs tors. theta energy: -85.177 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: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -916.866744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.866744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.866744 (E_RNA) where: Base-Base interactions energy: -638.925 where: short stacking energy: -274.678 Base-Backbone interact. energy: -1.285 local terms energy: -276.656264 where: bonds (distance) C4'-P energy: -49.488 bonds (distance) P-C4' energy: -49.106 flat angles C4'-P-C4' energy: -69.090 flat angles P-C4'-P energy: -42.074 tors. eta vs tors. theta energy: -66.897 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: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -863.214227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.214227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.214227 (E_RNA) where: Base-Base interactions energy: -582.760 where: short stacking energy: -249.328 Base-Backbone interact. energy: 2.628 local terms energy: -283.082028 where: bonds (distance) C4'-P energy: -51.860 bonds (distance) P-C4' energy: -54.222 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: -70.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -808.792354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.792354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.792354 (E_RNA) where: Base-Base interactions energy: -548.281 where: short stacking energy: -247.881 Base-Backbone interact. energy: -0.750 local terms energy: -259.761495 where: bonds (distance) C4'-P energy: -48.263 bonds (distance) P-C4' energy: -53.475 flat angles C4'-P-C4' energy: -63.254 flat angles P-C4'-P energy: -30.856 tors. eta vs tors. theta energy: -63.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -777.019121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.019121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.019121 (E_RNA) where: Base-Base interactions energy: -521.960 where: short stacking energy: -228.448 Base-Backbone interact. energy: -3.398 local terms energy: -251.661236 where: bonds (distance) C4'-P energy: -49.631 bonds (distance) P-C4' energy: -43.862 flat angles C4'-P-C4' energy: -57.666 flat angles P-C4'-P energy: -35.834 tors. eta vs tors. theta energy: -64.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -625.820404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.820404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.820404 (E_RNA) where: Base-Base interactions energy: -429.578 where: short stacking energy: -186.264 Base-Backbone interact. energy: 0.043 local terms energy: -196.285161 where: bonds (distance) C4'-P energy: -42.154 bonds (distance) P-C4' energy: -57.153 flat angles C4'-P-C4' energy: -44.011 flat angles P-C4'-P energy: -20.816 tors. eta vs tors. theta energy: -32.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -395.772123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.772123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.772123 (E_RNA) where: Base-Base interactions energy: -195.186 where: short stacking energy: -104.051 Base-Backbone interact. energy: -0.500 local terms energy: -200.086032 where: bonds (distance) C4'-P energy: -51.344 bonds (distance) P-C4' energy: -54.624 flat angles C4'-P-C4' energy: -50.772 flat angles P-C4'-P energy: -29.977 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: 192 Temperature: 1.350000 Total energy: -332.071741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.071741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.071741 (E_RNA) where: Base-Base interactions energy: -153.467 where: short stacking energy: -87.594 Base-Backbone interact. energy: -1.183 local terms energy: -177.421854 where: bonds (distance) C4'-P energy: -50.278 bonds (distance) P-C4' energy: -44.217 flat angles C4'-P-C4' energy: -46.715 flat angles P-C4'-P energy: -24.583 tors. eta vs tors. theta energy: -11.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1028.956686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.956686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.956686 (E_RNA) where: Base-Base interactions energy: -714.865 where: short stacking energy: -310.460 Base-Backbone interact. energy: 0.111 local terms energy: -314.202448 where: bonds (distance) C4'-P energy: -55.399 bonds (distance) P-C4' energy: -64.300 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -38.018 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: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1003.039589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.039589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.039589 (E_RNA) where: Base-Base interactions energy: -704.019 where: short stacking energy: -314.334 Base-Backbone interact. energy: 0.292 local terms energy: -299.312586 where: bonds (distance) C4'-P energy: -46.158 bonds (distance) P-C4' energy: -56.497 flat angles C4'-P-C4' energy: -58.984 flat angles P-C4'-P energy: -48.088 tors. eta vs tors. theta energy: -89.585 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: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -944.018607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.018607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.018607 (E_RNA) where: Base-Base interactions energy: -639.479 where: short stacking energy: -269.319 Base-Backbone interact. energy: -3.862 local terms energy: -300.677509 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -58.226 flat angles P-C4'-P energy: -37.440 tors. eta vs tors. theta energy: -76.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -887.653563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.653563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.653563 (E_RNA) where: Base-Base interactions energy: -611.960 where: short stacking energy: -267.453 Base-Backbone interact. energy: -1.470 local terms energy: -274.223598 where: bonds (distance) C4'-P energy: -51.276 bonds (distance) P-C4' energy: -55.539 flat angles C4'-P-C4' energy: -62.586 flat angles P-C4'-P energy: -40.170 tors. eta vs tors. theta energy: -64.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -864.587641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.587641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.587641 (E_RNA) where: Base-Base interactions energy: -586.345 where: short stacking energy: -249.958 Base-Backbone interact. energy: -1.912 local terms energy: -276.330731 where: bonds (distance) C4'-P energy: -51.651 bonds (distance) P-C4' energy: -54.608 flat angles C4'-P-C4' energy: -61.074 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -68.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -816.020270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.020270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.020270 (E_RNA) where: Base-Base interactions energy: -540.441 where: short stacking energy: -247.342 Base-Backbone interact. energy: 1.154 local terms energy: -276.733320 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -56.909 flat angles C4'-P-C4' energy: -61.254 flat angles P-C4'-P energy: -31.792 tors. eta vs tors. theta energy: -70.578 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -757.501635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.501635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.501635 (E_RNA) where: Base-Base interactions energy: -520.309 where: short stacking energy: -232.857 Base-Backbone interact. energy: 0.778 local terms energy: -237.971344 where: bonds (distance) C4'-P energy: -57.901 bonds (distance) P-C4' energy: -40.679 flat angles C4'-P-C4' energy: -45.829 flat angles P-C4'-P energy: -29.781 tors. eta vs tors. theta energy: -63.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -633.611065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.611065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.611065 (E_RNA) where: Base-Base interactions energy: -431.282 where: short stacking energy: -180.429 Base-Backbone interact. energy: 0.733 local terms energy: -203.061982 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -39.475 flat angles C4'-P-C4' energy: -30.161 flat angles P-C4'-P energy: -31.923 tors. eta vs tors. theta energy: -41.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -439.453154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.453154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.453154 (E_RNA) where: Base-Base interactions energy: -251.888 where: short stacking energy: -126.642 Base-Backbone interact. energy: -1.817 local terms energy: -185.748670 where: bonds (distance) C4'-P energy: -40.786 bonds (distance) P-C4' energy: -47.892 flat angles C4'-P-C4' energy: -49.603 flat angles P-C4'-P energy: -29.756 tors. eta vs tors. theta energy: -17.712 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: 193 Temperature: 1.350000 Total energy: -347.958516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.958516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.958516 (E_RNA) where: Base-Base interactions energy: -168.035 where: short stacking energy: -89.163 Base-Backbone interact. energy: -0.540 local terms energy: -179.384401 where: bonds (distance) C4'-P energy: -42.847 bonds (distance) P-C4' energy: -61.197 flat angles C4'-P-C4' energy: -50.316 flat angles P-C4'-P energy: -27.557 tors. eta vs tors. theta energy: 2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1030.823081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.823081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.823081 (E_RNA) where: Base-Base interactions energy: -728.755 where: short stacking energy: -326.409 Base-Backbone interact. energy: 1.123 local terms energy: -303.190510 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -54.334 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -41.874 tors. eta vs tors. theta energy: -86.084 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: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -996.538361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.538361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.538361 (E_RNA) where: Base-Base interactions energy: -690.390 where: short stacking energy: -281.917 Base-Backbone interact. energy: -1.437 local terms energy: -304.711024 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -63.441 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -42.020 tors. eta vs tors. theta energy: -82.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -961.181048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.181048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.181048 (E_RNA) where: Base-Base interactions energy: -679.312 where: short stacking energy: -275.436 Base-Backbone interact. energy: -1.475 local terms energy: -280.393347 where: bonds (distance) C4'-P energy: -45.785 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -56.623 flat angles P-C4'-P energy: -31.693 tors. eta vs tors. theta energy: -78.898 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: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -872.197793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.197793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.197793 (E_RNA) where: Base-Base interactions energy: -591.516 where: short stacking energy: -270.894 Base-Backbone interact. energy: -0.705 local terms energy: -279.976712 where: bonds (distance) C4'-P energy: -54.370 bonds (distance) P-C4' energy: -52.641 flat angles C4'-P-C4' energy: -56.578 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: -75.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -867.515889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.515889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.515889 (E_RNA) where: Base-Base interactions energy: -584.446 where: short stacking energy: -246.526 Base-Backbone interact. energy: 0.114 local terms energy: -283.183674 where: bonds (distance) C4'-P energy: -61.545 bonds (distance) P-C4' energy: -53.072 flat angles C4'-P-C4' energy: -64.288 flat angles P-C4'-P energy: -35.862 tors. eta vs tors. theta energy: -68.416 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: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -810.823020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.823020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.823020 (E_RNA) where: Base-Base interactions energy: -551.716 where: short stacking energy: -242.190 Base-Backbone interact. energy: -2.129 local terms energy: -256.977787 where: bonds (distance) C4'-P energy: -59.207 bonds (distance) P-C4' energy: -50.964 flat angles C4'-P-C4' energy: -48.426 flat angles P-C4'-P energy: -35.037 tors. eta vs tors. theta energy: -63.343 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: 194 Temperature: 1.200000 Total energy: -732.316997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.316997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.316997 (E_RNA) where: Base-Base interactions energy: -482.691 where: short stacking energy: -217.958 Base-Backbone interact. energy: -0.433 local terms energy: -249.193202 where: bonds (distance) C4'-P energy: -49.470 bonds (distance) P-C4' energy: -51.027 flat angles C4'-P-C4' energy: -60.203 flat angles P-C4'-P energy: -38.731 tors. eta vs tors. theta energy: -49.763 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: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -633.383527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.383527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.383527 (E_RNA) where: Base-Base interactions energy: -411.800 where: short stacking energy: -181.617 Base-Backbone interact. energy: 0.004 local terms energy: -221.587091 where: bonds (distance) C4'-P energy: -54.048 bonds (distance) P-C4' energy: -54.596 flat angles C4'-P-C4' energy: -52.042 flat angles P-C4'-P energy: -35.017 tors. eta vs tors. theta energy: -25.883 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: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -409.839213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.839213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.839213 (E_RNA) where: Base-Base interactions energy: -215.060 where: short stacking energy: -122.298 Base-Backbone interact. energy: 0.571 local terms energy: -195.350727 where: bonds (distance) C4'-P energy: -49.376 bonds (distance) P-C4' energy: -63.839 flat angles C4'-P-C4' energy: -43.869 flat angles P-C4'-P energy: -20.830 tors. eta vs tors. theta energy: -17.436 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: 194 Temperature: 1.350000 Total energy: -349.997628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.997628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.997628 (E_RNA) where: Base-Base interactions energy: -167.484 where: short stacking energy: -93.097 Base-Backbone interact. energy: -0.771 local terms energy: -181.743081 where: bonds (distance) C4'-P energy: -46.308 bonds (distance) P-C4' energy: -60.193 flat angles C4'-P-C4' energy: -51.090 flat angles P-C4'-P energy: -30.756 tors. eta vs tors. theta energy: 6.603 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: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1030.393142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.393142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.393142 (E_RNA) where: Base-Base interactions energy: -723.889 where: short stacking energy: -312.699 Base-Backbone interact. energy: -1.667 local terms energy: -304.837061 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -59.829 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -36.146 tors. eta vs tors. theta energy: -88.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -990.091952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.091952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.091952 (E_RNA) where: Base-Base interactions energy: -674.310 where: short stacking energy: -282.803 Base-Backbone interact. energy: -2.421 local terms energy: -313.360842 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -62.326 flat angles C4'-P-C4' energy: -64.168 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -87.286 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: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -955.966959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.966959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.966959 (E_RNA) where: Base-Base interactions energy: -667.465 where: short stacking energy: -284.979 Base-Backbone interact. energy: -0.831 local terms energy: -287.671065 where: bonds (distance) C4'-P energy: -53.784 bonds (distance) P-C4' energy: -52.840 flat angles C4'-P-C4' energy: -61.768 flat angles P-C4'-P energy: -44.922 tors. eta vs tors. theta energy: -74.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -858.409881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.409881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.409881 (E_RNA) where: Base-Base interactions energy: -603.003 where: short stacking energy: -271.241 Base-Backbone interact. energy: 0.141 local terms energy: -255.548293 where: bonds (distance) C4'-P energy: -39.730 bonds (distance) P-C4' energy: -65.047 flat angles C4'-P-C4' energy: -45.471 flat angles P-C4'-P energy: -40.738 tors. eta vs tors. theta energy: -64.561 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: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -881.079376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.079376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.079376 (E_RNA) where: Base-Base interactions energy: -616.078 where: short stacking energy: -264.311 Base-Backbone interact. energy: -0.964 local terms energy: -264.037694 where: bonds (distance) C4'-P energy: -53.893 bonds (distance) P-C4' energy: -50.350 flat angles C4'-P-C4' energy: -54.881 flat angles P-C4'-P energy: -37.165 tors. eta vs tors. theta energy: -67.749 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: 4 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -795.165628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.165628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.165628 (E_RNA) where: Base-Base interactions energy: -545.904 where: short stacking energy: -244.263 Base-Backbone interact. energy: -1.317 local terms energy: -247.944521 where: bonds (distance) C4'-P energy: -44.593 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -28.068 tors. eta vs tors. theta energy: -66.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -755.727171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.727171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.727171 (E_RNA) where: Base-Base interactions energy: -505.422 where: short stacking energy: -228.445 Base-Backbone interact. energy: -1.426 local terms energy: -248.879624 where: bonds (distance) C4'-P energy: -51.253 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -48.342 flat angles P-C4'-P energy: -33.657 tors. eta vs tors. theta energy: -59.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -630.604741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.604741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.604741 (E_RNA) where: Base-Base interactions energy: -410.001 where: short stacking energy: -187.333 Base-Backbone interact. energy: -1.038 local terms energy: -219.566030 where: bonds (distance) C4'-P energy: -43.541 bonds (distance) P-C4' energy: -59.195 flat angles C4'-P-C4' energy: -54.312 flat angles P-C4'-P energy: -29.822 tors. eta vs tors. theta energy: -32.697 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: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -413.933000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.933000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.933000 (E_RNA) where: Base-Base interactions energy: -237.091 where: short stacking energy: -107.579 Base-Backbone interact. energy: 1.781 local terms energy: -178.622833 where: bonds (distance) C4'-P energy: -48.088 bonds (distance) P-C4' energy: -58.903 flat angles C4'-P-C4' energy: -53.510 flat angles P-C4'-P energy: -12.570 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -311.526607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.526607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.526607 (E_RNA) where: Base-Base interactions energy: -147.606 where: short stacking energy: -95.044 Base-Backbone interact. energy: -1.159 local terms energy: -162.761243 where: bonds (distance) C4'-P energy: -55.751 bonds (distance) P-C4' energy: -47.981 flat angles C4'-P-C4' energy: -37.319 flat angles P-C4'-P energy: -21.222 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1021.483444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.483444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.483444 (E_RNA) where: Base-Base interactions energy: -719.099 where: short stacking energy: -315.257 Base-Backbone interact. energy: -1.842 local terms energy: -300.542217 where: bonds (distance) C4'-P energy: -56.310 bonds (distance) P-C4' energy: -59.877 flat angles C4'-P-C4' energy: -64.056 flat angles P-C4'-P energy: -36.615 tors. eta vs tors. theta energy: -83.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -976.676708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.676708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.676708 (E_RNA) where: Base-Base interactions energy: -662.540 where: short stacking energy: -292.822 Base-Backbone interact. energy: 0.291 local terms energy: -314.426814 where: bonds (distance) C4'-P energy: -55.676 bonds (distance) P-C4' energy: -57.868 flat angles C4'-P-C4' energy: -63.306 flat angles P-C4'-P energy: -44.261 tors. eta vs tors. theta energy: -93.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -974.745753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.745753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.745753 (E_RNA) where: Base-Base interactions energy: -678.764 where: short stacking energy: -282.858 Base-Backbone interact. energy: 1.086 local terms energy: -297.067911 where: bonds (distance) C4'-P energy: -49.834 bonds (distance) P-C4' energy: -61.706 flat angles C4'-P-C4' energy: -63.675 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -77.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -853.620458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.620458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.620458 (E_RNA) where: Base-Base interactions energy: -588.377 where: short stacking energy: -260.345 Base-Backbone interact. energy: -0.417 local terms energy: -264.826223 where: bonds (distance) C4'-P energy: -54.453 bonds (distance) P-C4' energy: -45.939 flat angles C4'-P-C4' energy: -59.933 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: -67.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -842.494970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.494970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.494970 (E_RNA) where: Base-Base interactions energy: -586.706 where: short stacking energy: -251.518 Base-Backbone interact. energy: -1.113 local terms energy: -254.675979 where: bonds (distance) C4'-P energy: -43.031 bonds (distance) P-C4' energy: -54.862 flat angles C4'-P-C4' energy: -54.681 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -60.859 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: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -755.804182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.804182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.804182 (E_RNA) where: Base-Base interactions energy: -508.289 where: short stacking energy: -229.782 Base-Backbone interact. energy: -1.595 local terms energy: -245.920237 where: bonds (distance) C4'-P energy: -49.083 bonds (distance) P-C4' energy: -46.170 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: -54.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -755.072671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.072671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.072671 (E_RNA) where: Base-Base interactions energy: -500.328 where: short stacking energy: -215.991 Base-Backbone interact. energy: 0.337 local terms energy: -255.081241 where: bonds (distance) C4'-P energy: -40.982 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -59.204 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: -60.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -609.797758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.797758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.797758 (E_RNA) where: Base-Base interactions energy: -397.023 where: short stacking energy: -164.131 Base-Backbone interact. energy: 2.569 local terms energy: -215.344190 where: bonds (distance) C4'-P energy: -47.420 bonds (distance) P-C4' energy: -53.710 flat angles C4'-P-C4' energy: -54.166 flat angles P-C4'-P energy: -31.272 tors. eta vs tors. theta energy: -28.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -405.327147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.327147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.327147 (E_RNA) where: Base-Base interactions energy: -231.462 where: short stacking energy: -124.352 Base-Backbone interact. energy: 1.264 local terms energy: -175.130000 where: bonds (distance) C4'-P energy: -33.576 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -42.222 flat angles P-C4'-P energy: -32.249 tors. eta vs tors. theta energy: -9.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -252.949594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.949594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.949594 (E_RNA) where: Base-Base interactions energy: -101.364 where: short stacking energy: -79.382 Base-Backbone interact. energy: -0.858 local terms energy: -150.726768 where: bonds (distance) C4'-P energy: -31.914 bonds (distance) P-C4' energy: -46.547 flat angles C4'-P-C4' energy: -49.718 flat angles P-C4'-P energy: -24.924 tors. eta vs tors. theta energy: 2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1037.979031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.979031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.979031 (E_RNA) where: Base-Base interactions energy: -735.674 where: short stacking energy: -315.580 Base-Backbone interact. energy: 0.114 local terms energy: -302.419325 where: bonds (distance) C4'-P energy: -48.686 bonds (distance) P-C4' energy: -57.587 flat angles C4'-P-C4' energy: -69.280 flat angles P-C4'-P energy: -39.096 tors. eta vs tors. theta energy: -87.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -978.843992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.843992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.843992 (E_RNA) where: Base-Base interactions energy: -670.667 where: short stacking energy: -303.688 Base-Backbone interact. energy: 1.560 local terms energy: -309.736920 where: bonds (distance) C4'-P energy: -66.339 bonds (distance) P-C4' energy: -58.630 flat angles C4'-P-C4' energy: -59.438 flat angles P-C4'-P energy: -46.586 tors. eta vs tors. theta energy: -78.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -978.196996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.196996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.196996 (E_RNA) where: Base-Base interactions energy: -676.612 where: short stacking energy: -285.072 Base-Backbone interact. energy: -1.912 local terms energy: -299.672322 where: bonds (distance) C4'-P energy: -53.475 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -63.229 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -83.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -882.975880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.975880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.975880 (E_RNA) where: Base-Base interactions energy: -604.511 where: short stacking energy: -248.882 Base-Backbone interact. energy: -0.910 local terms energy: -277.554077 where: bonds (distance) C4'-P energy: -52.753 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -62.712 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -66.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -886.000719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.000719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.000719 (E_RNA) where: Base-Base interactions energy: -608.180 where: short stacking energy: -245.336 Base-Backbone interact. energy: -0.994 local terms energy: -276.826823 where: bonds (distance) C4'-P energy: -50.252 bonds (distance) P-C4' energy: -60.087 flat angles C4'-P-C4' energy: -59.203 flat angles P-C4'-P energy: -39.099 tors. eta vs tors. theta energy: -68.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -758.913377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.913377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.913377 (E_RNA) where: Base-Base interactions energy: -501.979 where: short stacking energy: -229.076 Base-Backbone interact. energy: -1.748 local terms energy: -255.186560 where: bonds (distance) C4'-P energy: -50.427 bonds (distance) P-C4' energy: -52.509 flat angles C4'-P-C4' energy: -55.852 flat angles P-C4'-P energy: -29.859 tors. eta vs tors. theta energy: -66.539 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: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -766.414387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.414387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.414387 (E_RNA) where: Base-Base interactions energy: -518.832 where: short stacking energy: -245.421 Base-Backbone interact. energy: -0.381 local terms energy: -247.201334 where: bonds (distance) C4'-P energy: -50.379 bonds (distance) P-C4' energy: -30.081 flat angles C4'-P-C4' energy: -64.253 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: -59.968 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: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -606.329880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.329880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.329880 (E_RNA) where: Base-Base interactions energy: -384.406 where: short stacking energy: -163.200 Base-Backbone interact. energy: -2.761 local terms energy: -219.163103 where: bonds (distance) C4'-P energy: -47.195 bonds (distance) P-C4' energy: -53.396 flat angles C4'-P-C4' energy: -44.806 flat angles P-C4'-P energy: -28.578 tors. eta vs tors. theta energy: -45.187 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: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -401.827603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.827603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.827603 (E_RNA) where: Base-Base interactions energy: -216.699 where: short stacking energy: -118.372 Base-Backbone interact. energy: -1.443 local terms energy: -183.685680 where: bonds (distance) C4'-P energy: -43.292 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -50.152 flat angles P-C4'-P energy: -26.453 tors. eta vs tors. theta energy: -10.228 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: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -254.773212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.773212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.773212 (E_RNA) where: Base-Base interactions energy: -89.027 where: short stacking energy: -69.000 Base-Backbone interact. energy: -2.341 local terms energy: -163.405153 where: bonds (distance) C4'-P energy: -54.173 bonds (distance) P-C4' energy: -50.030 flat angles C4'-P-C4' energy: -43.256 flat angles P-C4'-P energy: -20.520 tors. eta vs tors. theta energy: 4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1049.593816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.593816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.593816 (E_RNA) where: Base-Base interactions energy: -739.570 where: short stacking energy: -324.712 Base-Backbone interact. energy: -0.055 local terms energy: -309.968379 where: bonds (distance) C4'-P energy: -45.835 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -69.635 flat angles P-C4'-P energy: -43.950 tors. eta vs tors. theta energy: -91.421 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: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -989.091244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.091244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.091244 (E_RNA) where: Base-Base interactions energy: -695.249 where: short stacking energy: -308.210 Base-Backbone interact. energy: 0.123 local terms energy: -293.964869 where: bonds (distance) C4'-P energy: -50.028 bonds (distance) P-C4' energy: -46.710 flat angles C4'-P-C4' energy: -59.640 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -95.379 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: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -954.468926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.468926 (E_RNA) where: Base-Base interactions energy: -664.370 where: short stacking energy: -292.757 Base-Backbone interact. energy: -0.176 local terms energy: -289.923695 where: bonds (distance) C4'-P energy: -46.108 bonds (distance) P-C4' energy: -59.147 flat angles C4'-P-C4' energy: -64.322 flat angles P-C4'-P energy: -41.491 tors. eta vs tors. theta energy: -78.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -895.855372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.855372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.855372 (E_RNA) where: Base-Base interactions energy: -608.014 where: short stacking energy: -243.044 Base-Backbone interact. energy: -1.736 local terms energy: -286.105502 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -49.476 flat angles C4'-P-C4' energy: -66.973 flat angles P-C4'-P energy: -44.056 tors. eta vs tors. theta energy: -67.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -886.578051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.578051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.578051 (E_RNA) where: Base-Base interactions energy: -608.178 where: short stacking energy: -262.121 Base-Backbone interact. energy: -1.714 local terms energy: -276.686923 where: bonds (distance) C4'-P energy: -46.496 bonds (distance) P-C4' energy: -60.735 flat angles C4'-P-C4' energy: -65.172 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: -61.600 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: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -763.381347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.381347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.381347 (E_RNA) where: Base-Base interactions energy: -505.816 where: short stacking energy: -238.476 Base-Backbone interact. energy: -0.966 local terms energy: -256.599931 where: bonds (distance) C4'-P energy: -57.377 bonds (distance) P-C4' energy: -46.418 flat angles C4'-P-C4' energy: -52.477 flat angles P-C4'-P energy: -35.951 tors. eta vs tors. theta energy: -64.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -744.024484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.024484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.024484 (E_RNA) where: Base-Base interactions energy: -512.042 where: short stacking energy: -198.964 Base-Backbone interact. energy: -1.035 local terms energy: -230.947633 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -55.548 flat angles C4'-P-C4' energy: -43.909 flat angles P-C4'-P energy: -30.010 tors. eta vs tors. theta energy: -48.972 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: 198 Temperature: 1.250000 Total energy: -605.967051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.967051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.967051 (E_RNA) where: Base-Base interactions energy: -395.144 where: short stacking energy: -169.591 Base-Backbone interact. energy: -0.049 local terms energy: -210.774105 where: bonds (distance) C4'-P energy: -49.105 bonds (distance) P-C4' energy: -53.325 flat angles C4'-P-C4' energy: -52.970 flat angles P-C4'-P energy: -21.387 tors. eta vs tors. theta energy: -33.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -419.753008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.753008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.753008 (E_RNA) where: Base-Base interactions energy: -239.562 where: short stacking energy: -125.475 Base-Backbone interact. energy: 0.809 local terms energy: -180.999607 where: bonds (distance) C4'-P energy: -47.028 bonds (distance) P-C4' energy: -49.787 flat angles C4'-P-C4' energy: -46.754 flat angles P-C4'-P energy: -23.500 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -253.013919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.013919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.013919 (E_RNA) where: Base-Base interactions energy: -93.889 where: short stacking energy: -89.470 Base-Backbone interact. energy: 1.234 local terms energy: -160.359196 where: bonds (distance) C4'-P energy: -47.440 bonds (distance) P-C4' energy: -42.480 flat angles C4'-P-C4' energy: -34.544 flat angles P-C4'-P energy: -34.855 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1051.753896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.753896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.753896 (E_RNA) where: Base-Base interactions energy: -730.132 where: short stacking energy: -312.234 Base-Backbone interact. energy: -2.562 local terms energy: -319.060171 where: bonds (distance) C4'-P energy: -58.403 bonds (distance) P-C4' energy: -60.983 flat angles C4'-P-C4' energy: -68.376 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -85.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -991.771978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.771978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.771978 (E_RNA) where: Base-Base interactions energy: -687.696 where: short stacking energy: -308.405 Base-Backbone interact. energy: -3.159 local terms energy: -300.916775 where: bonds (distance) C4'-P energy: -45.892 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -65.166 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -86.759 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: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -960.419136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.419136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.419136 (E_RNA) where: Base-Base interactions energy: -670.428 where: short stacking energy: -283.146 Base-Backbone interact. energy: -0.365 local terms energy: -289.625612 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -34.597 tors. eta vs tors. theta energy: -78.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -900.947829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.947829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.947829 (E_RNA) where: Base-Base interactions energy: -612.422 where: short stacking energy: -258.446 Base-Backbone interact. energy: -1.661 local terms energy: -286.864762 where: bonds (distance) C4'-P energy: -58.434 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -59.281 flat angles P-C4'-P energy: -39.757 tors. eta vs tors. theta energy: -71.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -867.546355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.546355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.546355 (E_RNA) where: Base-Base interactions energy: -592.575 where: short stacking energy: -253.706 Base-Backbone interact. energy: -2.390 local terms energy: -272.580643 where: bonds (distance) C4'-P energy: -56.142 bonds (distance) P-C4' energy: -51.626 flat angles C4'-P-C4' energy: -58.164 flat angles P-C4'-P energy: -38.370 tors. eta vs tors. theta energy: -68.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -777.957534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.957534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.957534 (E_RNA) where: Base-Base interactions energy: -517.529 where: short stacking energy: -218.133 Base-Backbone interact. energy: -2.418 local terms energy: -258.010620 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -58.445 flat angles C4'-P-C4' energy: -50.576 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: -57.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -736.867607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.867607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.867607 (E_RNA) where: Base-Base interactions energy: -501.259 where: short stacking energy: -223.443 Base-Backbone interact. energy: -0.135 local terms energy: -235.474448 where: bonds (distance) C4'-P energy: -40.633 bonds (distance) P-C4' energy: -47.901 flat angles C4'-P-C4' energy: -54.421 flat angles P-C4'-P energy: -37.508 tors. eta vs tors. theta energy: -55.011 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: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -578.062634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.062634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.062634 (E_RNA) where: Base-Base interactions energy: -368.899 where: short stacking energy: -185.654 Base-Backbone interact. energy: -1.418 local terms energy: -207.745300 where: bonds (distance) C4'-P energy: -42.261 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -52.531 flat angles P-C4'-P energy: -13.674 tors. eta vs tors. theta energy: -40.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -399.456149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.456149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.456149 (E_RNA) where: Base-Base interactions energy: -230.941 where: short stacking energy: -125.384 Base-Backbone interact. energy: 3.247 local terms energy: -171.761885 where: bonds (distance) C4'-P energy: -29.039 bonds (distance) P-C4' energy: -49.816 flat angles C4'-P-C4' energy: -52.190 flat angles P-C4'-P energy: -26.487 tors. eta vs tors. theta energy: -14.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -323.710787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.710787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.710787 (E_RNA) where: Base-Base interactions energy: -157.636 where: short stacking energy: -94.670 Base-Backbone interact. energy: 1.770 local terms energy: -167.845458 where: bonds (distance) C4'-P energy: -28.963 bonds (distance) P-C4' energy: -52.868 flat angles C4'-P-C4' energy: -54.543 flat angles P-C4'-P energy: -35.297 tors. eta vs tors. theta energy: 3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1038.816416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.816416 (E_RNA) where: Base-Base interactions energy: -716.191 where: short stacking energy: -315.022 Base-Backbone interact. energy: -0.009 local terms energy: -322.616493 where: bonds (distance) C4'-P energy: -55.674 bonds (distance) P-C4' energy: -62.211 flat angles C4'-P-C4' energy: -63.433 flat angles P-C4'-P energy: -51.716 tors. eta vs tors. theta energy: -89.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1009.509706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.509706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.509706 (E_RNA) where: Base-Base interactions energy: -696.838 where: short stacking energy: -314.125 Base-Backbone interact. energy: -2.403 local terms energy: -310.268725 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -54.249 flat angles C4'-P-C4' energy: -60.990 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -96.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -969.514888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.514888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.514888 (E_RNA) where: Base-Base interactions energy: -667.347 where: short stacking energy: -276.151 Base-Backbone interact. energy: -0.444 local terms energy: -301.724196 where: bonds (distance) C4'-P energy: -60.650 bonds (distance) P-C4' energy: -54.648 flat angles C4'-P-C4' energy: -58.262 flat angles P-C4'-P energy: -48.700 tors. eta vs tors. theta energy: -79.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -895.955303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.955303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.955303 (E_RNA) where: Base-Base interactions energy: -629.875 where: short stacking energy: -266.724 Base-Backbone interact. energy: -2.507 local terms energy: -263.573178 where: bonds (distance) C4'-P energy: -43.233 bonds (distance) P-C4' energy: -50.748 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -70.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -794.087301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.087301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.087301 (E_RNA) where: Base-Base interactions energy: -553.310 where: short stacking energy: -230.453 Base-Backbone interact. energy: -1.299 local terms energy: -239.478097 where: bonds (distance) C4'-P energy: -53.016 bonds (distance) P-C4' energy: -43.214 flat angles C4'-P-C4' energy: -56.303 flat angles P-C4'-P energy: -31.982 tors. eta vs tors. theta energy: -54.962 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: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -860.229517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.229517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.229517 (E_RNA) where: Base-Base interactions energy: -585.705 where: short stacking energy: -242.331 Base-Backbone interact. energy: -1.012 local terms energy: -273.512519 where: bonds (distance) C4'-P energy: -54.868 bonds (distance) P-C4' energy: -53.658 flat angles C4'-P-C4' energy: -62.231 flat angles P-C4'-P energy: -26.730 tors. eta vs tors. theta energy: -76.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -745.567229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.567229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.567229 (E_RNA) where: Base-Base interactions energy: -481.682 where: short stacking energy: -211.764 Base-Backbone interact. energy: -0.542 local terms energy: -263.343633 where: bonds (distance) C4'-P energy: -58.393 bonds (distance) P-C4' energy: -58.421 flat angles C4'-P-C4' energy: -49.434 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -53.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -575.828035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.828035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.828035 (E_RNA) where: Base-Base interactions energy: -375.628 where: short stacking energy: -162.111 Base-Backbone interact. energy: -1.755 local terms energy: -198.445183 where: bonds (distance) C4'-P energy: -49.530 bonds (distance) P-C4' energy: -41.855 flat angles C4'-P-C4' energy: -47.114 flat angles P-C4'-P energy: -30.737 tors. eta vs tors. theta energy: -29.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -394.644462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.644462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.644462 (E_RNA) where: Base-Base interactions energy: -213.549 where: short stacking energy: -105.520 Base-Backbone interact. energy: -0.710 local terms energy: -180.385446 where: bonds (distance) C4'-P energy: -44.467 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -41.723 flat angles P-C4'-P energy: -25.715 tors. eta vs tors. theta energy: -7.154 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: 200 Temperature: 1.350000 Total energy: -352.177813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.177813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.177813 (E_RNA) where: Base-Base interactions energy: -187.352 where: short stacking energy: -97.918 Base-Backbone interact. energy: 2.437 local terms energy: -167.262457 where: bonds (distance) C4'-P energy: -30.041 bonds (distance) P-C4' energy: -52.474 flat angles C4'-P-C4' energy: -52.113 flat angles P-C4'-P energy: -32.590 tors. eta vs tors. theta energy: -0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1032.321184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.321184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.321184 (E_RNA) where: Base-Base interactions energy: -716.156 where: short stacking energy: -315.491 Base-Backbone interact. energy: -0.735 local terms energy: -315.430144 where: bonds (distance) C4'-P energy: -57.578 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -61.700 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -89.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -989.163078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.163078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.163078 (E_RNA) where: Base-Base interactions energy: -676.214 where: short stacking energy: -283.285 Base-Backbone interact. energy: -3.311 local terms energy: -309.637931 where: bonds (distance) C4'-P energy: -56.508 bonds (distance) P-C4' energy: -56.852 flat angles C4'-P-C4' energy: -66.381 flat angles P-C4'-P energy: -49.038 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: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -971.929292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.929292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.929292 (E_RNA) where: Base-Base interactions energy: -642.148 where: short stacking energy: -294.750 Base-Backbone interact. energy: -1.878 local terms energy: -327.903438 where: bonds (distance) C4'-P energy: -60.559 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -68.057 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -93.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -906.828120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.828120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.828120 (E_RNA) where: Base-Base interactions energy: -616.656 where: short stacking energy: -275.283 Base-Backbone interact. energy: -1.295 local terms energy: -288.877294 where: bonds (distance) C4'-P energy: -53.782 bonds (distance) P-C4' energy: -42.970 flat angles C4'-P-C4' energy: -65.521 flat angles P-C4'-P energy: -47.858 tors. eta vs tors. theta energy: -78.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -824.543080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.543080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.543080 (E_RNA) where: Base-Base interactions energy: -564.513 where: short stacking energy: -240.563 Base-Backbone interact. energy: -1.438 local terms energy: -258.592086 where: bonds (distance) C4'-P energy: -48.674 bonds (distance) P-C4' energy: -50.172 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -32.446 tors. eta vs tors. theta energy: -64.459 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: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -855.668797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.668797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.668797 (E_RNA) where: Base-Base interactions energy: -571.832 where: short stacking energy: -245.317 Base-Backbone interact. energy: -0.649 local terms energy: -283.187951 where: bonds (distance) C4'-P energy: -51.222 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -63.458 flat angles P-C4'-P energy: -36.334 tors. eta vs tors. theta energy: -71.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -734.224781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.224781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.224781 (E_RNA) where: Base-Base interactions energy: -482.569 where: short stacking energy: -208.920 Base-Backbone interact. energy: -0.520 local terms energy: -251.135913 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -57.395 flat angles C4'-P-C4' energy: -58.826 flat angles P-C4'-P energy: -30.756 tors. eta vs tors. theta energy: -51.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -575.869774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.869774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.869774 (E_RNA) where: Base-Base interactions energy: -357.473 where: short stacking energy: -161.609 Base-Backbone interact. energy: 2.511 local terms energy: -220.908096 where: bonds (distance) C4'-P energy: -52.042 bonds (distance) P-C4' energy: -51.269 flat angles C4'-P-C4' energy: -42.701 flat angles P-C4'-P energy: -35.570 tors. eta vs tors. theta energy: -39.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -422.988747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.988747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.988747 (E_RNA) where: Base-Base interactions energy: -232.298 where: short stacking energy: -120.833 Base-Backbone interact. energy: -0.792 local terms energy: -189.899277 where: bonds (distance) C4'-P energy: -47.232 bonds (distance) P-C4' energy: -55.800 flat angles C4'-P-C4' energy: -50.205 flat angles P-C4'-P energy: -23.087 tors. eta vs tors. theta energy: -13.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -338.032663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.032663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.032663 (E_RNA) where: Base-Base interactions energy: -158.599 where: short stacking energy: -112.630 Base-Backbone interact. energy: -1.123 local terms energy: -178.310123 where: bonds (distance) C4'-P energy: -48.187 bonds (distance) P-C4' energy: -51.153 flat angles C4'-P-C4' energy: -41.270 flat angles P-C4'-P energy: -27.595 tors. eta vs tors. theta energy: -10.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1050.435910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.435910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.435910 (E_RNA) where: Base-Base interactions energy: -722.738 where: short stacking energy: -307.867 Base-Backbone interact. energy: 0.122 local terms energy: -327.820820 where: bonds (distance) C4'-P energy: -64.726 bonds (distance) P-C4' energy: -63.487 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -47.420 tors. eta vs tors. theta energy: -85.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1013.197539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.197539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.197539 (E_RNA) where: Base-Base interactions energy: -698.966 where: short stacking energy: -309.064 Base-Backbone interact. energy: -2.789 local terms energy: -311.442012 where: bonds (distance) C4'-P energy: -55.059 bonds (distance) P-C4' energy: -60.062 flat angles C4'-P-C4' energy: -67.084 flat angles P-C4'-P energy: -41.023 tors. eta vs tors. theta energy: -88.215 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: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -964.389450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.389450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.389450 (E_RNA) where: Base-Base interactions energy: -651.988 where: short stacking energy: -312.540 Base-Backbone interact. energy: -0.791 local terms energy: -311.610522 where: bonds (distance) C4'-P energy: -55.451 bonds (distance) P-C4' energy: -56.595 flat angles C4'-P-C4' energy: -63.587 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -92.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -931.391477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.391477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.391477 (E_RNA) where: Base-Base interactions energy: -628.830 where: short stacking energy: -268.632 Base-Backbone interact. energy: -3.199 local terms energy: -299.362645 where: bonds (distance) C4'-P energy: -57.751 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -64.116 flat angles P-C4'-P energy: -40.193 tors. eta vs tors. theta energy: -70.712 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: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -832.887938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.887938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.887938 (E_RNA) where: Base-Base interactions energy: -563.127 where: short stacking energy: -256.056 Base-Backbone interact. energy: 0.235 local terms energy: -269.995555 where: bonds (distance) C4'-P energy: -49.355 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -67.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -835.337908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.337908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.337908 (E_RNA) where: Base-Base interactions energy: -556.403 where: short stacking energy: -240.743 Base-Backbone interact. energy: -1.161 local terms energy: -277.773680 where: bonds (distance) C4'-P energy: -56.495 bonds (distance) P-C4' energy: -56.762 flat angles C4'-P-C4' energy: -54.587 flat angles P-C4'-P energy: -40.666 tors. eta vs tors. theta energy: -69.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -712.059631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.059631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.059631 (E_RNA) where: Base-Base interactions energy: -475.161 where: short stacking energy: -205.424 Base-Backbone interact. energy: -1.754 local terms energy: -235.144852 where: bonds (distance) C4'-P energy: -52.770 bonds (distance) P-C4' energy: -33.558 flat angles C4'-P-C4' energy: -67.328 flat angles P-C4'-P energy: -26.639 tors. eta vs tors. theta energy: -54.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -602.286889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.286889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.286889 (E_RNA) where: Base-Base interactions energy: -372.394 where: short stacking energy: -194.269 Base-Backbone interact. energy: 0.628 local terms energy: -230.520988 where: bonds (distance) C4'-P energy: -48.866 bonds (distance) P-C4' energy: -54.195 flat angles C4'-P-C4' energy: -57.793 flat angles P-C4'-P energy: -36.715 tors. eta vs tors. theta energy: -32.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -407.984640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.984640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.984640 (E_RNA) where: Base-Base interactions energy: -220.949 where: short stacking energy: -120.173 Base-Backbone interact. energy: 1.519 local terms energy: -188.554327 where: bonds (distance) C4'-P energy: -46.832 bonds (distance) P-C4' energy: -52.290 flat angles C4'-P-C4' energy: -44.442 flat angles P-C4'-P energy: -31.445 tors. eta vs tors. theta energy: -13.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -268.855080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.855080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.855080 (E_RNA) where: Base-Base interactions energy: -129.342 where: short stacking energy: -78.788 Base-Backbone interact. energy: -1.423 local terms energy: -138.089684 where: bonds (distance) C4'-P energy: -50.899 bonds (distance) P-C4' energy: -47.335 flat angles C4'-P-C4' energy: -43.619 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: 11.431 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: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1048.558953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.558953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.558953 (E_RNA) where: Base-Base interactions energy: -738.234 where: short stacking energy: -322.891 Base-Backbone interact. energy: -1.614 local terms energy: -308.711244 where: bonds (distance) C4'-P energy: -51.486 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -64.008 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -85.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1015.293934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.293934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.293934 (E_RNA) where: Base-Base interactions energy: -692.169 where: short stacking energy: -281.588 Base-Backbone interact. energy: 0.325 local terms energy: -323.449696 where: bonds (distance) C4'-P energy: -63.016 bonds (distance) P-C4' energy: -60.045 flat angles C4'-P-C4' energy: -64.913 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -88.719 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: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -964.756721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.756721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.756721 (E_RNA) where: Base-Base interactions energy: -659.110 where: short stacking energy: -299.150 Base-Backbone interact. energy: -0.872 local terms energy: -304.774655 where: bonds (distance) C4'-P energy: -49.209 bonds (distance) P-C4' energy: -62.991 flat angles C4'-P-C4' energy: -56.203 flat angles P-C4'-P energy: -44.044 tors. eta vs tors. theta energy: -92.327 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: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -927.942493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.942493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.942493 (E_RNA) where: Base-Base interactions energy: -624.520 where: short stacking energy: -284.360 Base-Backbone interact. energy: 1.653 local terms energy: -305.075134 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -58.343 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -35.505 tors. eta vs tors. theta energy: -85.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -831.728509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.728509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.728509 (E_RNA) where: Base-Base interactions energy: -566.150 where: short stacking energy: -263.245 Base-Backbone interact. energy: -1.614 local terms energy: -263.963699 where: bonds (distance) C4'-P energy: -46.021 bonds (distance) P-C4' energy: -51.941 flat angles C4'-P-C4' energy: -57.061 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -65.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -806.209592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.209592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.209592 (E_RNA) where: Base-Base interactions energy: -537.915 where: short stacking energy: -237.794 Base-Backbone interact. energy: -2.993 local terms energy: -265.301873 where: bonds (distance) C4'-P energy: -42.284 bonds (distance) P-C4' energy: -61.279 flat angles C4'-P-C4' energy: -57.404 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -63.633 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: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -736.935485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.935485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.935485 (E_RNA) where: Base-Base interactions energy: -482.034 where: short stacking energy: -219.902 Base-Backbone interact. energy: 0.321 local terms energy: -255.222294 where: bonds (distance) C4'-P energy: -45.887 bonds (distance) P-C4' energy: -58.219 flat angles C4'-P-C4' energy: -59.079 flat angles P-C4'-P energy: -35.960 tors. eta vs tors. theta energy: -56.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -587.791998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.791998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.791998 (E_RNA) where: Base-Base interactions energy: -370.605 where: short stacking energy: -168.606 Base-Backbone interact. energy: 1.272 local terms energy: -218.458785 where: bonds (distance) C4'-P energy: -51.422 bonds (distance) P-C4' energy: -54.911 flat angles C4'-P-C4' energy: -55.121 flat angles P-C4'-P energy: -25.670 tors. eta vs tors. theta energy: -31.334 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: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -388.880950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.880950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.880950 (E_RNA) where: Base-Base interactions energy: -216.450 where: short stacking energy: -111.076 Base-Backbone interact. energy: -0.917 local terms energy: -171.514682 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -48.265 flat angles C4'-P-C4' energy: -34.851 flat angles P-C4'-P energy: -18.788 tors. eta vs tors. theta energy: -7.942 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: 203 Temperature: 1.350000 Total energy: -313.977641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.977641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.977641 (E_RNA) where: Base-Base interactions energy: -146.920 where: short stacking energy: -84.896 Base-Backbone interact. energy: 3.836 local terms energy: -170.893179 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -48.139 flat angles C4'-P-C4' energy: -38.160 flat angles P-C4'-P energy: -30.369 tors. eta vs tors. theta energy: -3.236 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: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1023.607815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.607815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.607815 (E_RNA) where: Base-Base interactions energy: -704.540 where: short stacking energy: -311.773 Base-Backbone interact. energy: -1.205 local terms energy: -317.862318 where: bonds (distance) C4'-P energy: -52.285 bonds (distance) P-C4' energy: -63.335 flat angles C4'-P-C4' energy: -66.416 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -84.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1028.509625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.509625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.509625 (E_RNA) where: Base-Base interactions energy: -739.235 where: short stacking energy: -306.227 Base-Backbone interact. energy: -0.879 local terms energy: -288.396057 where: bonds (distance) C4'-P energy: -50.033 bonds (distance) P-C4' energy: -50.751 flat angles C4'-P-C4' energy: -70.345 flat angles P-C4'-P energy: -38.501 tors. eta vs tors. theta energy: -78.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -959.709567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.709567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.709567 (E_RNA) where: Base-Base interactions energy: -647.689 where: short stacking energy: -293.091 Base-Backbone interact. energy: -1.431 local terms energy: -310.589009 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -67.037 flat angles P-C4'-P energy: -45.949 tors. eta vs tors. theta energy: -81.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -898.467137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.467137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.467137 (E_RNA) where: Base-Base interactions energy: -625.692 where: short stacking energy: -284.086 Base-Backbone interact. energy: 1.787 local terms energy: -274.562947 where: bonds (distance) C4'-P energy: -49.015 bonds (distance) P-C4' energy: -51.641 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -37.367 tors. eta vs tors. theta energy: -75.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -830.031766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.031766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.031766 (E_RNA) where: Base-Base interactions energy: -556.613 where: short stacking energy: -246.812 Base-Backbone interact. energy: -1.231 local terms energy: -272.188039 where: bonds (distance) C4'-P energy: -51.338 bonds (distance) P-C4' energy: -54.207 flat angles C4'-P-C4' energy: -51.880 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -73.485 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: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -824.817171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.817171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.817171 (E_RNA) where: Base-Base interactions energy: -546.007 where: short stacking energy: -238.226 Base-Backbone interact. energy: 3.313 local terms energy: -282.122708 where: bonds (distance) C4'-P energy: -52.953 bonds (distance) P-C4' energy: -51.742 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: -70.309 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: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -767.549985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.549985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.549985 (E_RNA) where: Base-Base interactions energy: -504.444 where: short stacking energy: -238.566 Base-Backbone interact. energy: 2.260 local terms energy: -265.366005 where: bonds (distance) C4'-P energy: -53.261 bonds (distance) P-C4' energy: -49.227 flat angles C4'-P-C4' energy: -51.645 flat angles P-C4'-P energy: -35.640 tors. eta vs tors. theta energy: -75.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -576.929622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.929622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.929622 (E_RNA) where: Base-Base interactions energy: -371.577 where: short stacking energy: -173.978 Base-Backbone interact. energy: -1.422 local terms energy: -203.930263 where: bonds (distance) C4'-P energy: -52.403 bonds (distance) P-C4' energy: -50.862 flat angles C4'-P-C4' energy: -41.733 flat angles P-C4'-P energy: -31.465 tors. eta vs tors. theta energy: -27.466 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: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -388.762633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.762633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.762633 (E_RNA) where: Base-Base interactions energy: -196.426 where: short stacking energy: -119.975 Base-Backbone interact. energy: -1.269 local terms energy: -191.068438 where: bonds (distance) C4'-P energy: -54.733 bonds (distance) P-C4' energy: -51.347 flat angles C4'-P-C4' energy: -49.139 flat angles P-C4'-P energy: -24.775 tors. eta vs tors. theta energy: -11.075 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: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -280.294472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.294472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.294472 (E_RNA) where: Base-Base interactions energy: -119.235 where: short stacking energy: -89.921 Base-Backbone interact. energy: 2.705 local terms energy: -163.763853 where: bonds (distance) C4'-P energy: -45.835 bonds (distance) P-C4' energy: -49.694 flat angles C4'-P-C4' energy: -57.708 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: 1.911 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: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1017.646812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.646812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.646812 (E_RNA) where: Base-Base interactions energy: -697.079 where: short stacking energy: -296.073 Base-Backbone interact. energy: -1.181 local terms energy: -319.386951 where: bonds (distance) C4'-P energy: -59.766 bonds (distance) P-C4' energy: -56.284 flat angles C4'-P-C4' energy: -70.790 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -83.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1023.982411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.982411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.982411 (E_RNA) where: Base-Base interactions energy: -715.227 where: short stacking energy: -297.908 Base-Backbone interact. energy: -0.702 local terms energy: -308.053515 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -66.722 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -84.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -976.291534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.291534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.291534 (E_RNA) where: Base-Base interactions energy: -665.231 where: short stacking energy: -310.401 Base-Backbone interact. energy: -0.713 local terms energy: -310.347766 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -64.887 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: -89.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -906.718635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.718635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.718635 (E_RNA) where: Base-Base interactions energy: -622.724 where: short stacking energy: -290.880 Base-Backbone interact. energy: 1.228 local terms energy: -285.223369 where: bonds (distance) C4'-P energy: -43.481 bonds (distance) P-C4' energy: -57.065 flat angles C4'-P-C4' energy: -62.331 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -78.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -842.271182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.271182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.271182 (E_RNA) where: Base-Base interactions energy: -585.717 where: short stacking energy: -258.888 Base-Backbone interact. energy: -1.541 local terms energy: -255.012807 where: bonds (distance) C4'-P energy: -42.654 bonds (distance) P-C4' energy: -57.603 flat angles C4'-P-C4' energy: -54.878 flat angles P-C4'-P energy: -33.098 tors. eta vs tors. theta energy: -66.779 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: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -833.457183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.457183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.457183 (E_RNA) where: Base-Base interactions energy: -573.581 where: short stacking energy: -232.564 Base-Backbone interact. energy: -0.306 local terms energy: -259.569777 where: bonds (distance) C4'-P energy: -49.103 bonds (distance) P-C4' energy: -44.334 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -35.515 tors. eta vs tors. theta energy: -68.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -719.285012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.285012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.285012 (E_RNA) where: Base-Base interactions energy: -477.276 where: short stacking energy: -189.746 Base-Backbone interact. energy: -0.295 local terms energy: -241.713395 where: bonds (distance) C4'-P energy: -45.092 bonds (distance) P-C4' energy: -57.674 flat angles C4'-P-C4' energy: -62.426 flat angles P-C4'-P energy: -42.406 tors. eta vs tors. theta energy: -34.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -574.083484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.083484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.083484 (E_RNA) where: Base-Base interactions energy: -361.926 where: short stacking energy: -175.744 Base-Backbone interact. energy: 0.155 local terms energy: -212.313195 where: bonds (distance) C4'-P energy: -43.433 bonds (distance) P-C4' energy: -47.933 flat angles C4'-P-C4' energy: -54.806 flat angles P-C4'-P energy: -32.548 tors. eta vs tors. theta energy: -33.594 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: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -404.787363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.787363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.787363 (E_RNA) where: Base-Base interactions energy: -238.521 where: short stacking energy: -110.181 Base-Backbone interact. energy: -1.194 local terms energy: -165.073015 where: bonds (distance) C4'-P energy: -45.487 bonds (distance) P-C4' energy: -44.677 flat angles C4'-P-C4' energy: -44.063 flat angles P-C4'-P energy: -28.566 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -259.872960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.872960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.872960 (E_RNA) where: Base-Base interactions energy: -106.345 where: short stacking energy: -86.341 Base-Backbone interact. energy: -0.990 local terms energy: -152.537853 where: bonds (distance) C4'-P energy: -51.864 bonds (distance) P-C4' energy: -47.074 flat angles C4'-P-C4' energy: -29.378 flat angles P-C4'-P energy: -21.110 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1006.125559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.125559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.125559 (E_RNA) where: Base-Base interactions energy: -701.484 where: short stacking energy: -286.193 Base-Backbone interact. energy: -1.853 local terms energy: -302.788085 where: bonds (distance) C4'-P energy: -52.691 bonds (distance) P-C4' energy: -60.104 flat angles C4'-P-C4' energy: -70.074 flat angles P-C4'-P energy: -36.460 tors. eta vs tors. theta energy: -83.459 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: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1021.386853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.386853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.386853 (E_RNA) where: Base-Base interactions energy: -701.265 where: short stacking energy: -312.932 Base-Backbone interact. energy: -0.478 local terms energy: -319.643238 where: bonds (distance) C4'-P energy: -58.090 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -61.750 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: -94.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -965.863316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.863316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.863316 (E_RNA) where: Base-Base interactions energy: -649.718 where: short stacking energy: -306.495 Base-Backbone interact. energy: -1.001 local terms energy: -315.144215 where: bonds (distance) C4'-P energy: -55.067 bonds (distance) P-C4' energy: -53.995 flat angles C4'-P-C4' energy: -62.202 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -97.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -905.976301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.976301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.976301 (E_RNA) where: Base-Base interactions energy: -611.207 where: short stacking energy: -278.175 Base-Backbone interact. energy: -0.718 local terms energy: -294.051403 where: bonds (distance) C4'-P energy: -48.292 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -59.515 flat angles P-C4'-P energy: -39.043 tors. eta vs tors. theta energy: -84.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -847.649181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.649181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.649181 (E_RNA) where: Base-Base interactions energy: -591.489 where: short stacking energy: -245.429 Base-Backbone interact. energy: -1.020 local terms energy: -255.140581 where: bonds (distance) C4'-P energy: -51.810 bonds (distance) P-C4' energy: -42.857 flat angles C4'-P-C4' energy: -56.094 flat angles P-C4'-P energy: -38.719 tors. eta vs tors. theta energy: -65.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -798.420223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.420223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.420223 (E_RNA) where: Base-Base interactions energy: -528.507 where: short stacking energy: -221.754 Base-Backbone interact. energy: -1.201 local terms energy: -268.711991 where: bonds (distance) C4'-P energy: -57.631 bonds (distance) P-C4' energy: -56.807 flat angles C4'-P-C4' energy: -56.820 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -53.309 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: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -785.896954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.896954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.896954 (E_RNA) where: Base-Base interactions energy: -494.930 where: short stacking energy: -231.810 Base-Backbone interact. energy: -0.218 local terms energy: -290.749102 where: bonds (distance) C4'-P energy: -68.330 bonds (distance) P-C4' energy: -61.117 flat angles C4'-P-C4' energy: -61.043 flat angles P-C4'-P energy: -30.991 tors. eta vs tors. theta energy: -69.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -570.247501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.247501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.247501 (E_RNA) where: Base-Base interactions energy: -377.418 where: short stacking energy: -173.515 Base-Backbone interact. energy: -1.133 local terms energy: -191.696534 where: bonds (distance) C4'-P energy: -42.357 bonds (distance) P-C4' energy: -47.042 flat angles C4'-P-C4' energy: -35.920 flat angles P-C4'-P energy: -27.766 tors. eta vs tors. theta energy: -38.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -404.293079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.293079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.293079 (E_RNA) where: Base-Base interactions energy: -223.184 where: short stacking energy: -138.092 Base-Backbone interact. energy: 3.636 local terms energy: -184.745148 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -40.779 flat angles C4'-P-C4' energy: -50.372 flat angles P-C4'-P energy: -23.958 tors. eta vs tors. theta energy: -10.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -263.476744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.476744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.476744 (E_RNA) where: Base-Base interactions energy: -94.574 where: short stacking energy: -63.467 Base-Backbone interact. energy: -0.852 local terms energy: -168.050846 where: bonds (distance) C4'-P energy: -56.437 bonds (distance) P-C4' energy: -51.623 flat angles C4'-P-C4' energy: -47.785 flat angles P-C4'-P energy: -30.793 tors. eta vs tors. theta energy: 18.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1008.575525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.575525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.575525 (E_RNA) where: Base-Base interactions energy: -693.513 where: short stacking energy: -303.634 Base-Backbone interact. energy: -3.119 local terms energy: -311.943028 where: bonds (distance) C4'-P energy: -49.267 bonds (distance) P-C4' energy: -61.427 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: -92.900 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: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1019.614885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.614885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.614885 (E_RNA) where: Base-Base interactions energy: -718.554 where: short stacking energy: -306.789 Base-Backbone interact. energy: 0.692 local terms energy: -301.753610 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -57.647 flat angles C4'-P-C4' energy: -66.494 flat angles P-C4'-P energy: -34.965 tors. eta vs tors. theta energy: -89.546 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: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -974.140521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.140521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.140521 (E_RNA) where: Base-Base interactions energy: -688.652 where: short stacking energy: -306.659 Base-Backbone interact. energy: -0.731 local terms energy: -284.757455 where: bonds (distance) C4'-P energy: -56.883 bonds (distance) P-C4' energy: -52.662 flat angles C4'-P-C4' energy: -68.372 flat angles P-C4'-P energy: -23.010 tors. eta vs tors. theta energy: -83.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -913.709138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.709138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.709138 (E_RNA) where: Base-Base interactions energy: -625.635 where: short stacking energy: -261.055 Base-Backbone interact. energy: 0.887 local terms energy: -288.961884 where: bonds (distance) C4'-P energy: -53.073 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -41.732 tors. eta vs tors. theta energy: -75.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -876.209339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.209339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.209339 (E_RNA) where: Base-Base interactions energy: -594.978 where: short stacking energy: -266.150 Base-Backbone interact. energy: -0.676 local terms energy: -280.554743 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -53.811 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -37.500 tors. eta vs tors. theta energy: -71.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -791.048248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.048248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.048248 (E_RNA) where: Base-Base interactions energy: -531.510 where: short stacking energy: -253.437 Base-Backbone interact. energy: 3.825 local terms energy: -263.362685 where: bonds (distance) C4'-P energy: -47.233 bonds (distance) P-C4' energy: -44.300 flat angles C4'-P-C4' energy: -64.935 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -69.878 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: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -795.740433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.740433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.740433 (E_RNA) where: Base-Base interactions energy: -548.724 where: short stacking energy: -204.507 Base-Backbone interact. energy: -1.206 local terms energy: -245.809846 where: bonds (distance) C4'-P energy: -44.046 bonds (distance) P-C4' energy: -60.553 flat angles C4'-P-C4' energy: -56.071 flat angles P-C4'-P energy: -31.961 tors. eta vs tors. theta energy: -53.179 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: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -600.289204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.289204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.289204 (E_RNA) where: Base-Base interactions energy: -390.163 where: short stacking energy: -161.733 Base-Backbone interact. energy: -2.209 local terms energy: -207.917463 where: bonds (distance) C4'-P energy: -46.790 bonds (distance) P-C4' energy: -49.453 flat angles C4'-P-C4' energy: -50.934 flat angles P-C4'-P energy: -25.205 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: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -419.313151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.313151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.313151 (E_RNA) where: Base-Base interactions energy: -236.186 where: short stacking energy: -119.085 Base-Backbone interact. energy: 0.362 local terms energy: -183.489829 where: bonds (distance) C4'-P energy: -41.598 bonds (distance) P-C4' energy: -55.183 flat angles C4'-P-C4' energy: -40.702 flat angles P-C4'-P energy: -33.860 tors. eta vs tors. theta energy: -12.147 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: 207 Temperature: 1.350000 Total energy: -335.886442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.886442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.886442 (E_RNA) where: Base-Base interactions energy: -138.448 where: short stacking energy: -97.555 Base-Backbone interact. energy: 3.752 local terms energy: -201.189615 where: bonds (distance) C4'-P energy: -44.092 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -45.871 flat angles P-C4'-P energy: -39.388 tors. eta vs tors. theta energy: -13.382 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: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1010.823377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.823377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.823377 (E_RNA) where: Base-Base interactions energy: -704.269 where: short stacking energy: -307.639 Base-Backbone interact. energy: -1.752 local terms energy: -304.802501 where: bonds (distance) C4'-P energy: -52.863 bonds (distance) P-C4' energy: -52.361 flat angles C4'-P-C4' energy: -67.853 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -87.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -989.658849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.658849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.658849 (E_RNA) where: Base-Base interactions energy: -700.335 where: short stacking energy: -293.619 Base-Backbone interact. energy: -1.366 local terms energy: -287.957537 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -56.473 flat angles C4'-P-C4' energy: -66.243 flat angles P-C4'-P energy: -36.492 tors. eta vs tors. theta energy: -76.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -950.519197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.519197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.519197 (E_RNA) where: Base-Base interactions energy: -664.375 where: short stacking energy: -289.487 Base-Backbone interact. energy: 0.992 local terms energy: -287.136340 where: bonds (distance) C4'-P energy: -52.264 bonds (distance) P-C4' energy: -51.689 flat angles C4'-P-C4' energy: -57.857 flat angles P-C4'-P energy: -43.450 tors. eta vs tors. theta energy: -81.875 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: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -883.349358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.349358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.349358 (E_RNA) where: Base-Base interactions energy: -587.217 where: short stacking energy: -261.252 Base-Backbone interact. energy: 0.860 local terms energy: -296.992866 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -60.875 flat angles P-C4'-P energy: -38.061 tors. eta vs tors. theta energy: -76.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -876.476948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.476948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.476948 (E_RNA) where: Base-Base interactions energy: -609.829 where: short stacking energy: -262.272 Base-Backbone interact. energy: -0.168 local terms energy: -266.479761 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -50.714 flat angles C4'-P-C4' energy: -54.918 flat angles P-C4'-P energy: -32.623 tors. eta vs tors. theta energy: -75.106 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: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -769.620766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.620766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.620766 (E_RNA) where: Base-Base interactions energy: -518.845 where: short stacking energy: -226.080 Base-Backbone interact. energy: -1.340 local terms energy: -249.435151 where: bonds (distance) C4'-P energy: -48.935 bonds (distance) P-C4' energy: -57.010 flat angles C4'-P-C4' energy: -54.158 flat angles P-C4'-P energy: -31.113 tors. eta vs tors. theta energy: -58.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -803.680046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.680046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.680046 (E_RNA) where: Base-Base interactions energy: -557.831 where: short stacking energy: -236.876 Base-Backbone interact. energy: -0.515 local terms energy: -245.334416 where: bonds (distance) C4'-P energy: -39.819 bonds (distance) P-C4' energy: -54.710 flat angles C4'-P-C4' energy: -57.400 flat angles P-C4'-P energy: -27.868 tors. eta vs tors. theta energy: -65.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -576.592907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.592907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.592907 (E_RNA) where: Base-Base interactions energy: -375.780 where: short stacking energy: -151.192 Base-Backbone interact. energy: 0.262 local terms energy: -201.074988 where: bonds (distance) C4'-P energy: -51.652 bonds (distance) P-C4' energy: -52.463 flat angles C4'-P-C4' energy: -43.110 flat angles P-C4'-P energy: -33.033 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -436.752864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.752864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.752864 (E_RNA) where: Base-Base interactions energy: -254.057 where: short stacking energy: -110.166 Base-Backbone interact. energy: -1.777 local terms energy: -180.919100 where: bonds (distance) C4'-P energy: -42.831 bonds (distance) P-C4' energy: -57.584 flat angles C4'-P-C4' energy: -33.952 flat angles P-C4'-P energy: -33.512 tors. eta vs tors. theta energy: -13.041 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: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -296.046200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.046200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.046200 (E_RNA) where: Base-Base interactions energy: -114.325 where: short stacking energy: -91.124 Base-Backbone interact. energy: 0.095 local terms energy: -181.816288 where: bonds (distance) C4'-P energy: -54.170 bonds (distance) P-C4' energy: -48.152 flat angles C4'-P-C4' energy: -37.245 flat angles P-C4'-P energy: -38.868 tors. eta vs tors. theta energy: -3.382 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: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1018.330116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.330116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.330116 (E_RNA) where: Base-Base interactions energy: -702.080 where: short stacking energy: -299.601 Base-Backbone interact. energy: -2.895 local terms energy: -313.355050 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -81.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1007.042245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.042245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.042245 (E_RNA) where: Base-Base interactions energy: -702.555 where: short stacking energy: -307.695 Base-Backbone interact. energy: -0.926 local terms energy: -303.560919 where: bonds (distance) C4'-P energy: -51.471 bonds (distance) P-C4' energy: -54.501 flat angles C4'-P-C4' energy: -66.986 flat angles P-C4'-P energy: -52.433 tors. eta vs tors. theta energy: -78.169 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: 209 Temperature: 1.000000 Total energy: -962.710300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.710300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.710300 (E_RNA) where: Base-Base interactions energy: -666.015 where: short stacking energy: -305.803 Base-Backbone interact. energy: -1.220 local terms energy: -295.476180 where: bonds (distance) C4'-P energy: -49.312 bonds (distance) P-C4' energy: -52.535 flat angles C4'-P-C4' energy: -63.528 flat angles P-C4'-P energy: -39.416 tors. eta vs tors. theta energy: -90.686 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: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -887.282668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.282668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.282668 (E_RNA) where: Base-Base interactions energy: -600.556 where: short stacking energy: -268.427 Base-Backbone interact. energy: -0.857 local terms energy: -285.870095 where: bonds (distance) C4'-P energy: -46.629 bonds (distance) P-C4' energy: -55.088 flat angles C4'-P-C4' energy: -62.892 flat angles P-C4'-P energy: -46.492 tors. eta vs tors. theta energy: -74.769 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: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -863.991361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.991361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.991361 (E_RNA) where: Base-Base interactions energy: -580.930 where: short stacking energy: -247.342 Base-Backbone interact. energy: -1.268 local terms energy: -281.792633 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -68.540 flat angles P-C4'-P energy: -28.391 tors. eta vs tors. theta energy: -69.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -849.011186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.011186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.011186 (E_RNA) where: Base-Base interactions energy: -584.580 where: short stacking energy: -256.267 Base-Backbone interact. energy: -1.774 local terms energy: -262.657288 where: bonds (distance) C4'-P energy: -49.391 bonds (distance) P-C4' energy: -56.291 flat angles C4'-P-C4' energy: -56.800 flat angles P-C4'-P energy: -32.684 tors. eta vs tors. theta energy: -67.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -751.040447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.040447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.040447 (E_RNA) where: Base-Base interactions energy: -514.897 where: short stacking energy: -215.019 Base-Backbone interact. energy: -0.677 local terms energy: -235.466261 where: bonds (distance) C4'-P energy: -47.061 bonds (distance) P-C4' energy: -42.202 flat angles C4'-P-C4' energy: -58.784 flat angles P-C4'-P energy: -32.699 tors. eta vs tors. theta energy: -54.720 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: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -603.643954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.643954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.643954 (E_RNA) where: Base-Base interactions energy: -392.868 where: short stacking energy: -181.878 Base-Backbone interact. energy: -0.640 local terms energy: -210.135748 where: bonds (distance) C4'-P energy: -40.310 bonds (distance) P-C4' energy: -52.349 flat angles C4'-P-C4' energy: -50.272 flat angles P-C4'-P energy: -35.462 tors. eta vs tors. theta energy: -31.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -429.500285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.500285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.500285 (E_RNA) where: Base-Base interactions energy: -220.706 where: short stacking energy: -116.217 Base-Backbone interact. energy: 1.158 local terms energy: -209.952208 where: bonds (distance) C4'-P energy: -52.389 bonds (distance) P-C4' energy: -51.821 flat angles C4'-P-C4' energy: -48.282 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -18.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -259.797295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.797295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.797295 (E_RNA) where: Base-Base interactions energy: -94.926 where: short stacking energy: -76.162 Base-Backbone interact. energy: -2.354 local terms energy: -162.517822 where: bonds (distance) C4'-P energy: -43.550 bonds (distance) P-C4' energy: -47.044 flat angles C4'-P-C4' energy: -56.243 flat angles P-C4'-P energy: -26.998 tors. eta vs tors. theta energy: 11.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1026.773027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.773027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.773027 (E_RNA) where: Base-Base interactions energy: -712.725 where: short stacking energy: -309.765 Base-Backbone interact. energy: -1.088 local terms energy: -312.960114 where: bonds (distance) C4'-P energy: -55.752 bonds (distance) P-C4' energy: -66.641 flat angles C4'-P-C4' energy: -64.649 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -76.412 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: 210 Temperature: 0.950000 Total energy: -973.661641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.661641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.661641 (E_RNA) where: Base-Base interactions energy: -675.256 where: short stacking energy: -269.519 Base-Backbone interact. energy: -1.229 local terms energy: -297.176758 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -56.255 flat angles P-C4'-P energy: -49.378 tors. eta vs tors. theta energy: -74.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -969.138437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.138437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.138437 (E_RNA) where: Base-Base interactions energy: -672.529 where: short stacking energy: -308.778 Base-Backbone interact. energy: 0.753 local terms energy: -297.362893 where: bonds (distance) C4'-P energy: -57.698 bonds (distance) P-C4' energy: -51.672 flat angles C4'-P-C4' energy: -64.549 flat angles P-C4'-P energy: -35.270 tors. eta vs tors. theta energy: -88.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -876.820386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.820386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.820386 (E_RNA) where: Base-Base interactions energy: -601.079 where: short stacking energy: -262.182 Base-Backbone interact. energy: -2.058 local terms energy: -273.683420 where: bonds (distance) C4'-P energy: -56.123 bonds (distance) P-C4' energy: -47.753 flat angles C4'-P-C4' energy: -61.797 flat angles P-C4'-P energy: -37.442 tors. eta vs tors. theta energy: -70.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -908.356741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.356741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.356741 (E_RNA) where: Base-Base interactions energy: -615.387 where: short stacking energy: -281.912 Base-Backbone interact. energy: -1.561 local terms energy: -291.409078 where: bonds (distance) C4'-P energy: -55.370 bonds (distance) P-C4' energy: -60.713 flat angles C4'-P-C4' energy: -67.867 flat angles P-C4'-P energy: -33.344 tors. eta vs tors. theta energy: -74.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -809.267315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.267315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.267315 (E_RNA) where: Base-Base interactions energy: -560.585 where: short stacking energy: -234.457 Base-Backbone interact. energy: -0.018 local terms energy: -248.664018 where: bonds (distance) C4'-P energy: -44.637 bonds (distance) P-C4' energy: -56.237 flat angles C4'-P-C4' energy: -54.306 flat angles P-C4'-P energy: -29.053 tors. eta vs tors. theta energy: -64.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -746.652122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.652122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.652122 (E_RNA) where: Base-Base interactions energy: -504.307 where: short stacking energy: -230.970 Base-Backbone interact. energy: -1.526 local terms energy: -240.818565 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -52.545 flat angles C4'-P-C4' energy: -57.436 flat angles P-C4'-P energy: -23.330 tors. eta vs tors. theta energy: -60.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -595.525772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.525772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.525772 (E_RNA) where: Base-Base interactions energy: -401.480 where: short stacking energy: -177.516 Base-Backbone interact. energy: -2.215 local terms energy: -191.830640 where: bonds (distance) C4'-P energy: -43.050 bonds (distance) P-C4' energy: -37.170 flat angles C4'-P-C4' energy: -43.005 flat angles P-C4'-P energy: -34.276 tors. eta vs tors. theta energy: -34.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -439.234031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.234031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.234031 (E_RNA) where: Base-Base interactions energy: -228.403 where: short stacking energy: -124.709 Base-Backbone interact. energy: -1.154 local terms energy: -209.677322 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -57.592 flat angles C4'-P-C4' energy: -53.576 flat angles P-C4'-P energy: -25.595 tors. eta vs tors. theta energy: -15.502 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: 210 Temperature: 1.350000 Total energy: -259.413359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.413359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.413359 (E_RNA) where: Base-Base interactions energy: -98.194 where: short stacking energy: -82.041 Base-Backbone interact. energy: 4.261 local terms energy: -165.479427 where: bonds (distance) C4'-P energy: -50.314 bonds (distance) P-C4' energy: -47.315 flat angles C4'-P-C4' energy: -45.200 flat angles P-C4'-P energy: -26.720 tors. eta vs tors. theta energy: 4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1012.332670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.332670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.332670 (E_RNA) where: Base-Base interactions energy: -701.497 where: short stacking energy: -292.575 Base-Backbone interact. energy: -1.733 local terms energy: -309.103137 where: bonds (distance) C4'-P energy: -52.961 bonds (distance) P-C4' energy: -56.723 flat angles C4'-P-C4' energy: -66.588 flat angles P-C4'-P energy: -51.676 tors. eta vs tors. theta energy: -81.155 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: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -998.614292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.614292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.614292 (E_RNA) where: Base-Base interactions energy: -686.814 where: short stacking energy: -297.999 Base-Backbone interact. energy: -1.303 local terms energy: -310.496886 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -55.348 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -42.027 tors. eta vs tors. theta energy: -84.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -971.247611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.247611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.247611 (E_RNA) where: Base-Base interactions energy: -672.045 where: short stacking energy: -305.473 Base-Backbone interact. energy: -1.152 local terms energy: -298.051145 where: bonds (distance) C4'-P energy: -54.029 bonds (distance) P-C4' energy: -54.780 flat angles C4'-P-C4' energy: -59.512 flat angles P-C4'-P energy: -35.573 tors. eta vs tors. theta energy: -94.158 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: 1 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -922.854154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.854154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.854154 (E_RNA) where: Base-Base interactions energy: -623.334 where: short stacking energy: -275.870 Base-Backbone interact. energy: -2.592 local terms energy: -296.927980 where: bonds (distance) C4'-P energy: -47.882 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -82.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -862.323352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.323352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.323352 (E_RNA) where: Base-Base interactions energy: -572.421 where: short stacking energy: -268.221 Base-Backbone interact. energy: -1.404 local terms energy: -288.497957 where: bonds (distance) C4'-P energy: -47.902 bonds (distance) P-C4' energy: -55.722 flat angles C4'-P-C4' energy: -67.029 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: -77.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -808.773905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.773905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.773905 (E_RNA) where: Base-Base interactions energy: -541.417 where: short stacking energy: -228.583 Base-Backbone interact. energy: -0.921 local terms energy: -266.435886 where: bonds (distance) C4'-P energy: -49.968 bonds (distance) P-C4' energy: -64.408 flat angles C4'-P-C4' energy: -56.557 flat angles P-C4'-P energy: -35.767 tors. eta vs tors. theta energy: -59.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -722.633933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.633933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.633933 (E_RNA) where: Base-Base interactions energy: -473.028 where: short stacking energy: -220.285 Base-Backbone interact. energy: -1.433 local terms energy: -248.172914 where: bonds (distance) C4'-P energy: -50.728 bonds (distance) P-C4' energy: -46.682 flat angles C4'-P-C4' energy: -52.260 flat angles P-C4'-P energy: -47.828 tors. eta vs tors. theta energy: -50.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -588.008327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.008327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.008327 (E_RNA) where: Base-Base interactions energy: -382.382 where: short stacking energy: -175.062 Base-Backbone interact. energy: 0.261 local terms energy: -205.886720 where: bonds (distance) C4'-P energy: -48.850 bonds (distance) P-C4' energy: -55.449 flat angles C4'-P-C4' energy: -56.126 flat angles P-C4'-P energy: -15.432 tors. eta vs tors. theta energy: -30.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -436.959366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.959366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.959366 (E_RNA) where: Base-Base interactions energy: -242.220 where: short stacking energy: -133.371 Base-Backbone interact. energy: 1.490 local terms energy: -196.230045 where: bonds (distance) C4'-P energy: -37.624 bonds (distance) P-C4' energy: -48.058 flat angles C4'-P-C4' energy: -54.223 flat angles P-C4'-P energy: -30.776 tors. eta vs tors. theta energy: -25.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -265.650557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.650557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.650557 (E_RNA) where: Base-Base interactions energy: -85.122 where: short stacking energy: -71.600 Base-Backbone interact. energy: 0.152 local terms energy: -180.680558 where: bonds (distance) C4'-P energy: -52.820 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -55.081 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: 7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1012.745858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.745858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.745858 (E_RNA) where: Base-Base interactions energy: -695.352 where: short stacking energy: -311.612 Base-Backbone interact. energy: -0.884 local terms energy: -316.510206 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -58.406 flat angles C4'-P-C4' energy: -71.045 flat angles P-C4'-P energy: -40.085 tors. eta vs tors. theta energy: -89.278 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: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1007.664997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.664997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.664997 (E_RNA) where: Base-Base interactions energy: -705.251 where: short stacking energy: -304.081 Base-Backbone interact. energy: -1.568 local terms energy: -300.846309 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -53.219 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -44.003 tors. eta vs tors. theta energy: -85.553 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: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -967.429617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.429617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.429617 (E_RNA) where: Base-Base interactions energy: -659.714 where: short stacking energy: -304.628 Base-Backbone interact. energy: 0.257 local terms energy: -307.972572 where: bonds (distance) C4'-P energy: -58.767 bonds (distance) P-C4' energy: -54.687 flat angles C4'-P-C4' energy: -66.573 flat angles P-C4'-P energy: -44.546 tors. eta vs tors. theta energy: -83.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -912.206065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.206065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.206065 (E_RNA) where: Base-Base interactions energy: -622.459 where: short stacking energy: -271.599 Base-Backbone interact. energy: -1.997 local terms energy: -287.749859 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -49.211 flat angles C4'-P-C4' energy: -63.257 flat angles P-C4'-P energy: -43.224 tors. eta vs tors. theta energy: -76.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -865.246481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.246481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.246481 (E_RNA) where: Base-Base interactions energy: -588.465 where: short stacking energy: -244.297 Base-Backbone interact. energy: -0.589 local terms energy: -276.192864 where: bonds (distance) C4'-P energy: -58.374 bonds (distance) P-C4' energy: -49.376 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -35.195 tors. eta vs tors. theta energy: -72.848 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: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -783.792974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.792974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.792974 (E_RNA) where: Base-Base interactions energy: -533.289 where: short stacking energy: -238.654 Base-Backbone interact. energy: -1.702 local terms energy: -248.802323 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -48.504 flat angles C4'-P-C4' energy: -63.761 flat angles P-C4'-P energy: -33.188 tors. eta vs tors. theta energy: -48.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -722.730901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.730901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.730901 (E_RNA) where: Base-Base interactions energy: -473.523 where: short stacking energy: -196.834 Base-Backbone interact. energy: -1.706 local terms energy: -247.501890 where: bonds (distance) C4'-P energy: -48.543 bonds (distance) P-C4' energy: -51.505 flat angles C4'-P-C4' energy: -62.682 flat angles P-C4'-P energy: -31.954 tors. eta vs tors. theta energy: -52.818 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: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -593.234389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.234389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.234389 (E_RNA) where: Base-Base interactions energy: -363.718 where: short stacking energy: -176.977 Base-Backbone interact. energy: -0.966 local terms energy: -228.550084 where: bonds (distance) C4'-P energy: -46.413 bonds (distance) P-C4' energy: -61.189 flat angles C4'-P-C4' energy: -53.363 flat angles P-C4'-P energy: -34.804 tors. eta vs tors. theta energy: -32.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -397.704257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.704257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.704257 (E_RNA) where: Base-Base interactions energy: -219.380 where: short stacking energy: -115.729 Base-Backbone interact. energy: 0.391 local terms energy: -178.716124 where: bonds (distance) C4'-P energy: -41.203 bonds (distance) P-C4' energy: -51.486 flat angles C4'-P-C4' energy: -48.722 flat angles P-C4'-P energy: -26.790 tors. eta vs tors. theta energy: -10.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -255.526764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.526764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.526764 (E_RNA) where: Base-Base interactions energy: -73.822 where: short stacking energy: -62.131 Base-Backbone interact. energy: 3.694 local terms energy: -185.398836 where: bonds (distance) C4'-P energy: -53.991 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -50.077 flat angles P-C4'-P energy: -26.851 tors. eta vs tors. theta energy: 2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1027.619422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.619422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.619422 (E_RNA) where: Base-Base interactions energy: -717.719 where: short stacking energy: -317.699 Base-Backbone interact. energy: 0.654 local terms energy: -310.555051 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -58.736 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -42.049 tors. eta vs tors. theta energy: -81.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1009.664816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.664816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.664816 (E_RNA) where: Base-Base interactions energy: -699.291 where: short stacking energy: -307.159 Base-Backbone interact. energy: -0.488 local terms energy: -309.886147 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -62.871 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: -86.513 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: 213 Temperature: 1.000000 Total energy: -986.844477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.844477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.844477 (E_RNA) where: Base-Base interactions energy: -675.096 where: short stacking energy: -294.711 Base-Backbone interact. energy: -2.089 local terms energy: -309.659708 where: bonds (distance) C4'-P energy: -57.584 bonds (distance) P-C4' energy: -66.656 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -42.540 tors. eta vs tors. theta energy: -86.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -919.928786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.928786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.928786 (E_RNA) where: Base-Base interactions energy: -624.299 where: short stacking energy: -264.547 Base-Backbone interact. energy: -3.277 local terms energy: -292.352771 where: bonds (distance) C4'-P energy: -49.701 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -64.621 flat angles P-C4'-P energy: -47.243 tors. eta vs tors. theta energy: -72.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -880.570475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.570475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.570475 (E_RNA) where: Base-Base interactions energy: -621.722 where: short stacking energy: -267.618 Base-Backbone interact. energy: -0.559 local terms energy: -258.289347 where: bonds (distance) C4'-P energy: -38.862 bonds (distance) P-C4' energy: -54.950 flat angles C4'-P-C4' energy: -53.802 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: -68.155 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: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -763.742195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.742195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.742195 (E_RNA) where: Base-Base interactions energy: -503.056 where: short stacking energy: -230.444 Base-Backbone interact. energy: 0.304 local terms energy: -260.989795 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -53.520 flat angles C4'-P-C4' energy: -53.325 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -66.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -776.362570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.362570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.362570 (E_RNA) where: Base-Base interactions energy: -551.686 where: short stacking energy: -232.795 Base-Backbone interact. energy: 0.439 local terms energy: -225.115400 where: bonds (distance) C4'-P energy: -36.730 bonds (distance) P-C4' energy: -43.876 flat angles C4'-P-C4' energy: -46.580 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -64.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -576.947104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.947104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.947104 (E_RNA) where: Base-Base interactions energy: -357.789 where: short stacking energy: -153.996 Base-Backbone interact. energy: -1.787 local terms energy: -217.371768 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -48.743 flat angles C4'-P-C4' energy: -45.313 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -32.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -437.600824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.600824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.600824 (E_RNA) where: Base-Base interactions energy: -240.836 where: short stacking energy: -116.207 Base-Backbone interact. energy: 0.354 local terms energy: -197.119095 where: bonds (distance) C4'-P energy: -59.084 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -44.094 flat angles P-C4'-P energy: -29.917 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -307.529376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.529376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.529376 (E_RNA) where: Base-Base interactions energy: -147.147 where: short stacking energy: -106.048 Base-Backbone interact. energy: -0.817 local terms energy: -159.566172 where: bonds (distance) C4'-P energy: -43.451 bonds (distance) P-C4' energy: -43.936 flat angles C4'-P-C4' energy: -41.298 flat angles P-C4'-P energy: -25.994 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1024.357362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.357362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.357362 (E_RNA) where: Base-Base interactions energy: -710.472 where: short stacking energy: -293.652 Base-Backbone interact. energy: -1.773 local terms energy: -312.112704 where: bonds (distance) C4'-P energy: -62.577 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -64.811 flat angles P-C4'-P energy: -35.958 tors. eta vs tors. theta energy: -85.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1007.858030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.858030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.858030 (E_RNA) where: Base-Base interactions energy: -701.587 where: short stacking energy: -300.564 Base-Backbone interact. energy: -0.584 local terms energy: -305.686998 where: bonds (distance) C4'-P energy: -56.282 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -68.860 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -81.195 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: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1029.363737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.363737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.363737 (E_RNA) where: Base-Base interactions energy: -704.322 where: short stacking energy: -299.504 Base-Backbone interact. energy: -0.906 local terms energy: -324.136082 where: bonds (distance) C4'-P energy: -61.618 bonds (distance) P-C4' energy: -65.235 flat angles C4'-P-C4' energy: -66.258 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -91.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -899.190451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.190451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.190451 (E_RNA) where: Base-Base interactions energy: -602.562 where: short stacking energy: -265.034 Base-Backbone interact. energy: -3.497 local terms energy: -293.130530 where: bonds (distance) C4'-P energy: -55.530 bonds (distance) P-C4' energy: -49.666 flat angles C4'-P-C4' energy: -62.954 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -77.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -880.628505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.628505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.628505 (E_RNA) where: Base-Base interactions energy: -590.700 where: short stacking energy: -248.602 Base-Backbone interact. energy: -1.730 local terms energy: -288.198748 where: bonds (distance) C4'-P energy: -60.261 bonds (distance) P-C4' energy: -51.774 flat angles C4'-P-C4' energy: -66.571 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -66.201 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: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -737.868168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.868168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.868168 (E_RNA) where: Base-Base interactions energy: -491.475 where: short stacking energy: -240.115 Base-Backbone interact. energy: 1.043 local terms energy: -247.436572 where: bonds (distance) C4'-P energy: -48.146 bonds (distance) P-C4' energy: -39.114 flat angles C4'-P-C4' energy: -57.932 flat angles P-C4'-P energy: -35.282 tors. eta vs tors. theta energy: -66.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -773.037638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.037638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.037638 (E_RNA) where: Base-Base interactions energy: -516.337 where: short stacking energy: -226.042 Base-Backbone interact. energy: -1.231 local terms energy: -255.469945 where: bonds (distance) C4'-P energy: -46.042 bonds (distance) P-C4' energy: -50.317 flat angles C4'-P-C4' energy: -55.796 flat angles P-C4'-P energy: -34.658 tors. eta vs tors. theta energy: -68.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -561.858023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.858023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.858023 (E_RNA) where: Base-Base interactions energy: -356.791 where: short stacking energy: -176.300 Base-Backbone interact. energy: -0.127 local terms energy: -204.939603 where: bonds (distance) C4'-P energy: -47.020 bonds (distance) P-C4' energy: -48.536 flat angles C4'-P-C4' energy: -49.137 flat angles P-C4'-P energy: -29.391 tors. eta vs tors. theta energy: -30.856 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -434.446524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.446524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.446524 (E_RNA) where: Base-Base interactions energy: -241.364 where: short stacking energy: -130.591 Base-Backbone interact. energy: -1.212 local terms energy: -191.870091 where: bonds (distance) C4'-P energy: -50.648 bonds (distance) P-C4' energy: -53.462 flat angles C4'-P-C4' energy: -40.093 flat angles P-C4'-P energy: -22.364 tors. eta vs tors. theta energy: -25.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -327.409057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.409057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.409057 (E_RNA) where: Base-Base interactions energy: -158.139 where: short stacking energy: -98.637 Base-Backbone interact. energy: 0.280 local terms energy: -169.550588 where: bonds (distance) C4'-P energy: -52.444 bonds (distance) P-C4' energy: -48.230 flat angles C4'-P-C4' energy: -41.503 flat angles P-C4'-P energy: -27.806 tors. eta vs tors. theta energy: 0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1031.690482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.690482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.690482 (E_RNA) where: Base-Base interactions energy: -714.301 where: short stacking energy: -282.635 Base-Backbone interact. energy: -1.849 local terms energy: -315.540503 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -55.271 flat angles C4'-P-C4' energy: -68.832 flat angles P-C4'-P energy: -52.368 tors. eta vs tors. theta energy: -79.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -999.844782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.844782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.844782 (E_RNA) where: Base-Base interactions energy: -692.544 where: short stacking energy: -296.659 Base-Backbone interact. energy: -0.376 local terms energy: -306.925663 where: bonds (distance) C4'-P energy: -61.149 bonds (distance) P-C4' energy: -58.109 flat angles C4'-P-C4' energy: -66.567 flat angles P-C4'-P energy: -42.679 tors. eta vs tors. theta energy: -78.422 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: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -981.064247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.064247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.064247 (E_RNA) where: Base-Base interactions energy: -671.203 where: short stacking energy: -286.039 Base-Backbone interact. energy: 0.413 local terms energy: -310.274938 where: bonds (distance) C4'-P energy: -48.641 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -87.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -921.007735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.007735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.007735 (E_RNA) where: Base-Base interactions energy: -619.796 where: short stacking energy: -264.231 Base-Backbone interact. energy: -3.040 local terms energy: -298.172152 where: bonds (distance) C4'-P energy: -57.800 bonds (distance) P-C4' energy: -63.672 flat angles C4'-P-C4' energy: -64.609 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: -74.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -904.515292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.515292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.515292 (E_RNA) where: Base-Base interactions energy: -635.967 where: short stacking energy: -287.630 Base-Backbone interact. energy: -0.453 local terms energy: -268.095097 where: bonds (distance) C4'-P energy: -42.868 bonds (distance) P-C4' energy: -49.523 flat angles C4'-P-C4' energy: -65.023 flat angles P-C4'-P energy: -36.232 tors. eta vs tors. theta energy: -74.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -827.253935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.253935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.253935 (E_RNA) where: Base-Base interactions energy: -572.121 where: short stacking energy: -250.781 Base-Backbone interact. energy: 1.243 local terms energy: -256.375926 where: bonds (distance) C4'-P energy: -48.202 bonds (distance) P-C4' energy: -49.460 flat angles C4'-P-C4' energy: -56.886 flat angles P-C4'-P energy: -31.632 tors. eta vs tors. theta energy: -70.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -744.250647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.250647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.250647 (E_RNA) where: Base-Base interactions energy: -489.661 where: short stacking energy: -239.514 Base-Backbone interact. energy: -0.109 local terms energy: -254.480437 where: bonds (distance) C4'-P energy: -49.009 bonds (distance) P-C4' energy: -50.456 flat angles C4'-P-C4' energy: -50.841 flat angles P-C4'-P energy: -37.662 tors. eta vs tors. theta energy: -66.513 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: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -588.752518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.752518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.752518 (E_RNA) where: Base-Base interactions energy: -384.589 where: short stacking energy: -174.741 Base-Backbone interact. energy: 0.827 local terms energy: -204.989886 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -52.893 flat angles C4'-P-C4' energy: -51.316 flat angles P-C4'-P energy: -22.126 tors. eta vs tors. theta energy: -25.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -428.982970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.982970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.982970 (E_RNA) where: Base-Base interactions energy: -244.011 where: short stacking energy: -122.149 Base-Backbone interact. energy: -1.806 local terms energy: -183.165335 where: bonds (distance) C4'-P energy: -58.844 bonds (distance) P-C4' energy: -48.556 flat angles C4'-P-C4' energy: -42.709 flat angles P-C4'-P energy: -18.214 tors. eta vs tors. theta energy: -14.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -318.083247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.083247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.083247 (E_RNA) where: Base-Base interactions energy: -154.113 where: short stacking energy: -92.717 Base-Backbone interact. energy: -0.029 local terms energy: -163.940999 where: bonds (distance) C4'-P energy: -50.102 bonds (distance) P-C4' energy: -55.471 flat angles C4'-P-C4' energy: -35.070 flat angles P-C4'-P energy: -24.408 tors. eta vs tors. theta energy: 1.109 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: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1005.216243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.216243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.216243 (E_RNA) where: Base-Base interactions energy: -704.550 where: short stacking energy: -292.539 Base-Backbone interact. energy: -2.540 local terms energy: -298.126866 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -62.683 flat angles C4'-P-C4' energy: -56.875 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: -82.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -988.642627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.642627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.642627 (E_RNA) where: Base-Base interactions energy: -678.584 where: short stacking energy: -278.135 Base-Backbone interact. energy: -2.202 local terms energy: -307.856913 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -53.087 flat angles C4'-P-C4' energy: -70.671 flat angles P-C4'-P energy: -39.564 tors. eta vs tors. theta energy: -83.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -966.566463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.566463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.566463 (E_RNA) where: Base-Base interactions energy: -644.442 where: short stacking energy: -288.981 Base-Backbone interact. energy: 0.836 local terms energy: -322.960193 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -56.906 flat angles C4'-P-C4' energy: -69.385 flat angles P-C4'-P energy: -49.780 tors. eta vs tors. theta energy: -92.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -904.402027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.402027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.402027 (E_RNA) where: Base-Base interactions energy: -608.815 where: short stacking energy: -260.289 Base-Backbone interact. energy: -0.260 local terms energy: -295.327490 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -63.921 flat angles C4'-P-C4' energy: -62.589 flat angles P-C4'-P energy: -41.875 tors. eta vs tors. theta energy: -69.636 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: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -902.003104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.003104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.003104 (E_RNA) where: Base-Base interactions energy: -604.130 where: short stacking energy: -256.144 Base-Backbone interact. energy: 0.718 local terms energy: -298.590957 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -62.127 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -77.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -823.438053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.438053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.438053 (E_RNA) where: Base-Base interactions energy: -568.650 where: short stacking energy: -252.362 Base-Backbone interact. energy: -1.250 local terms energy: -253.538828 where: bonds (distance) C4'-P energy: -36.281 bonds (distance) P-C4' energy: -52.904 flat angles C4'-P-C4' energy: -58.287 flat angles P-C4'-P energy: -37.188 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -689.102922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.102922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.102922 (E_RNA) where: Base-Base interactions energy: -447.729 where: short stacking energy: -185.908 Base-Backbone interact. energy: -1.970 local terms energy: -239.403856 where: bonds (distance) C4'-P energy: -59.217 bonds (distance) P-C4' energy: -44.888 flat angles C4'-P-C4' energy: -49.650 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -49.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -586.432115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.432115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.432115 (E_RNA) where: Base-Base interactions energy: -369.445 where: short stacking energy: -156.241 Base-Backbone interact. energy: -1.398 local terms energy: -215.589235 where: bonds (distance) C4'-P energy: -49.066 bonds (distance) P-C4' energy: -52.199 flat angles C4'-P-C4' energy: -47.700 flat angles P-C4'-P energy: -32.751 tors. eta vs tors. theta energy: -33.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -431.270691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.270691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.270691 (E_RNA) where: Base-Base interactions energy: -231.314 where: short stacking energy: -120.777 Base-Backbone interact. energy: 1.020 local terms energy: -200.976316 where: bonds (distance) C4'-P energy: -52.529 bonds (distance) P-C4' energy: -48.847 flat angles C4'-P-C4' energy: -52.525 flat angles P-C4'-P energy: -21.321 tors. eta vs tors. theta energy: -25.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -299.699519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.699519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.699519 (E_RNA) where: Base-Base interactions energy: -149.997 where: short stacking energy: -91.033 Base-Backbone interact. energy: -0.853 local terms energy: -148.849457 where: bonds (distance) C4'-P energy: -18.369 bonds (distance) P-C4' energy: -50.509 flat angles C4'-P-C4' energy: -47.185 flat angles P-C4'-P energy: -31.873 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1017.761731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.761731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.761731 (E_RNA) where: Base-Base interactions energy: -711.396 where: short stacking energy: -307.266 Base-Backbone interact. energy: -1.788 local terms energy: -304.577229 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -58.914 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -41.885 tors. eta vs tors. theta energy: -77.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1013.604689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.604689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.604689 (E_RNA) where: Base-Base interactions energy: -705.755 where: short stacking energy: -300.144 Base-Backbone interact. energy: -1.570 local terms energy: -306.279635 where: bonds (distance) C4'-P energy: -54.569 bonds (distance) P-C4' energy: -57.874 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -40.684 tors. eta vs tors. theta energy: -86.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -953.834524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.834524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.834524 (E_RNA) where: Base-Base interactions energy: -656.621 where: short stacking energy: -293.871 Base-Backbone interact. energy: 1.400 local terms energy: -298.614024 where: bonds (distance) C4'-P energy: -46.468 bonds (distance) P-C4' energy: -55.360 flat angles C4'-P-C4' energy: -69.172 flat angles P-C4'-P energy: -38.214 tors. eta vs tors. theta energy: -89.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -890.534757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.534757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.534757 (E_RNA) where: Base-Base interactions energy: -605.306 where: short stacking energy: -282.200 Base-Backbone interact. energy: 0.469 local terms energy: -285.698232 where: bonds (distance) C4'-P energy: -51.493 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -58.655 flat angles P-C4'-P energy: -44.147 tors. eta vs tors. theta energy: -75.194 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: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -899.234699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.234699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.234699 (E_RNA) where: Base-Base interactions energy: -630.029 where: short stacking energy: -263.006 Base-Backbone interact. energy: -0.800 local terms energy: -268.406083 where: bonds (distance) C4'-P energy: -54.923 bonds (distance) P-C4' energy: -52.946 flat angles C4'-P-C4' energy: -59.477 flat angles P-C4'-P energy: -30.120 tors. eta vs tors. theta energy: -70.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -824.853559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.853559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.853559 (E_RNA) where: Base-Base interactions energy: -551.860 where: short stacking energy: -242.456 Base-Backbone interact. energy: -1.466 local terms energy: -271.526955 where: bonds (distance) C4'-P energy: -48.889 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -54.392 flat angles P-C4'-P energy: -35.855 tors. eta vs tors. theta energy: -70.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -725.078716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.078716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.078716 (E_RNA) where: Base-Base interactions energy: -483.500 where: short stacking energy: -206.922 Base-Backbone interact. energy: -1.128 local terms energy: -240.450641 where: bonds (distance) C4'-P energy: -41.833 bonds (distance) P-C4' energy: -52.154 flat angles C4'-P-C4' energy: -59.484 flat angles P-C4'-P energy: -35.155 tors. eta vs tors. theta energy: -51.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -581.548093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.548093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.548093 (E_RNA) where: Base-Base interactions energy: -388.475 where: short stacking energy: -174.457 Base-Backbone interact. energy: 0.404 local terms energy: -193.476981 where: bonds (distance) C4'-P energy: -36.710 bonds (distance) P-C4' energy: -46.787 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -21.834 tors. eta vs tors. theta energy: -27.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -432.971087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.971087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.971087 (E_RNA) where: Base-Base interactions energy: -244.386 where: short stacking energy: -134.623 Base-Backbone interact. energy: -0.555 local terms energy: -188.030187 where: bonds (distance) C4'-P energy: -46.502 bonds (distance) P-C4' energy: -44.814 flat angles C4'-P-C4' energy: -51.640 flat angles P-C4'-P energy: -32.092 tors. eta vs tors. theta energy: -12.983 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: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -261.101834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.101834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.101834 (E_RNA) where: Base-Base interactions energy: -80.817 where: short stacking energy: -61.341 Base-Backbone interact. energy: -1.164 local terms energy: -179.120431 where: bonds (distance) C4'-P energy: -52.803 bonds (distance) P-C4' energy: -55.408 flat angles C4'-P-C4' energy: -38.705 flat angles P-C4'-P energy: -29.724 tors. eta vs tors. theta energy: -2.480 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: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1036.073779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.073779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.073779 (E_RNA) where: Base-Base interactions energy: -714.349 where: short stacking energy: -298.322 Base-Backbone interact. energy: -2.757 local terms energy: -318.967138 where: bonds (distance) C4'-P energy: -55.454 bonds (distance) P-C4' energy: -62.385 flat angles C4'-P-C4' energy: -66.542 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1003.225923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.225923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.225923 (E_RNA) where: Base-Base interactions energy: -706.569 where: short stacking energy: -297.683 Base-Backbone interact. energy: -3.381 local terms energy: -293.276217 where: bonds (distance) C4'-P energy: -52.778 bonds (distance) P-C4' energy: -48.559 flat angles C4'-P-C4' energy: -62.907 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -79.453 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: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -976.594429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.594429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.594429 (E_RNA) where: Base-Base interactions energy: -661.954 where: short stacking energy: -283.681 Base-Backbone interact. energy: -1.902 local terms energy: -312.738389 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -58.744 flat angles C4'-P-C4' energy: -69.687 flat angles P-C4'-P energy: -51.390 tors. eta vs tors. theta energy: -79.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -905.722430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.722430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.722430 (E_RNA) where: Base-Base interactions energy: -633.225 where: short stacking energy: -260.781 Base-Backbone interact. energy: -2.455 local terms energy: -270.042523 where: bonds (distance) C4'-P energy: -52.609 bonds (distance) P-C4' energy: -47.455 flat angles C4'-P-C4' energy: -62.669 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: -68.273 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: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -868.177294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.177294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.177294 (E_RNA) where: Base-Base interactions energy: -587.476 where: short stacking energy: -248.925 Base-Backbone interact. energy: 0.653 local terms energy: -281.353523 where: bonds (distance) C4'-P energy: -49.428 bonds (distance) P-C4' energy: -53.313 flat angles C4'-P-C4' energy: -66.545 flat angles P-C4'-P energy: -38.609 tors. eta vs tors. theta energy: -73.458 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: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -841.025942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.025942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.025942 (E_RNA) where: Base-Base interactions energy: -563.892 where: short stacking energy: -247.755 Base-Backbone interact. energy: -1.326 local terms energy: -275.808369 where: bonds (distance) C4'-P energy: -53.262 bonds (distance) P-C4' energy: -59.314 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -65.870 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: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -692.225025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.225025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.225025 (E_RNA) where: Base-Base interactions energy: -469.702 where: short stacking energy: -183.382 Base-Backbone interact. energy: 5.419 local terms energy: -227.941738 where: bonds (distance) C4'-P energy: -45.441 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -52.677 flat angles P-C4'-P energy: -27.543 tors. eta vs tors. theta energy: -39.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -561.693151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.693151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.693151 (E_RNA) where: Base-Base interactions energy: -354.210 where: short stacking energy: -170.196 Base-Backbone interact. energy: -1.579 local terms energy: -205.903471 where: bonds (distance) C4'-P energy: -48.450 bonds (distance) P-C4' energy: -46.224 flat angles C4'-P-C4' energy: -46.244 flat angles P-C4'-P energy: -31.476 tors. eta vs tors. theta energy: -33.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -392.839459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.839459 (E_RNA) where: Base-Base interactions energy: -203.171 where: short stacking energy: -125.325 Base-Backbone interact. energy: -1.562 local terms energy: -188.106570 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -51.248 flat angles C4'-P-C4' energy: -37.608 flat angles P-C4'-P energy: -26.632 tors. eta vs tors. theta energy: -16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -297.076381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.076381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.076381 (E_RNA) where: Base-Base interactions energy: -152.548 where: short stacking energy: -95.455 Base-Backbone interact. energy: 4.758 local terms energy: -149.287229 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -38.479 flat angles C4'-P-C4' energy: -29.265 flat angles P-C4'-P energy: -27.331 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1040.032303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.032303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.032303 (E_RNA) where: Base-Base interactions energy: -711.351 where: short stacking energy: -299.113 Base-Backbone interact. energy: -2.058 local terms energy: -326.623311 where: bonds (distance) C4'-P energy: -64.642 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -63.167 flat angles P-C4'-P energy: -51.316 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: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1007.535559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.535559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.535559 (E_RNA) where: Base-Base interactions energy: -717.623 where: short stacking energy: -295.874 Base-Backbone interact. energy: -1.996 local terms energy: -287.916813 where: bonds (distance) C4'-P energy: -50.402 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -72.338 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: -72.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -957.130017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.130017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.130017 (E_RNA) where: Base-Base interactions energy: -673.161 where: short stacking energy: -273.849 Base-Backbone interact. energy: -1.263 local terms energy: -282.706763 where: bonds (distance) C4'-P energy: -50.127 bonds (distance) P-C4' energy: -60.005 flat angles C4'-P-C4' energy: -62.561 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: -76.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -910.255111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.255111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.255111 (E_RNA) where: Base-Base interactions energy: -624.528 where: short stacking energy: -272.461 Base-Backbone interact. energy: 0.045 local terms energy: -285.772963 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -47.938 flat angles C4'-P-C4' energy: -68.904 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -68.656 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: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -892.922815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.922815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.922815 (E_RNA) where: Base-Base interactions energy: -608.297 where: short stacking energy: -264.190 Base-Backbone interact. energy: -0.432 local terms energy: -284.193336 where: bonds (distance) C4'-P energy: -53.523 bonds (distance) P-C4' energy: -48.793 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: -73.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -816.044376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.044376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.044376 (E_RNA) where: Base-Base interactions energy: -549.534 where: short stacking energy: -225.659 Base-Backbone interact. energy: -0.486 local terms energy: -266.023828 where: bonds (distance) C4'-P energy: -47.838 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -52.755 flat angles P-C4'-P energy: -37.675 tors. eta vs tors. theta energy: -62.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -682.832842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.832842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.832842 (E_RNA) where: Base-Base interactions energy: -455.657 where: short stacking energy: -185.897 Base-Backbone interact. energy: -0.398 local terms energy: -226.777121 where: bonds (distance) C4'-P energy: -37.313 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -53.927 flat angles P-C4'-P energy: -29.429 tors. eta vs tors. theta energy: -45.808 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: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -565.241192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.241192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.241192 (E_RNA) where: Base-Base interactions energy: -376.820 where: short stacking energy: -154.365 Base-Backbone interact. energy: -0.152 local terms energy: -188.269331 where: bonds (distance) C4'-P energy: -39.925 bonds (distance) P-C4' energy: -52.585 flat angles C4'-P-C4' energy: -38.017 flat angles P-C4'-P energy: -36.068 tors. eta vs tors. theta energy: -21.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -390.246752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.246752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.246752 (E_RNA) where: Base-Base interactions energy: -202.253 where: short stacking energy: -100.108 Base-Backbone interact. energy: -0.900 local terms energy: -187.093622 where: bonds (distance) C4'-P energy: -45.039 bonds (distance) P-C4' energy: -49.404 flat angles C4'-P-C4' energy: -53.663 flat angles P-C4'-P energy: -30.219 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -269.116783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.116783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.116783 (E_RNA) where: Base-Base interactions energy: -106.832 where: short stacking energy: -82.419 Base-Backbone interact. energy: -1.240 local terms energy: -161.044857 where: bonds (distance) C4'-P energy: -46.617 bonds (distance) P-C4' energy: -52.165 flat angles C4'-P-C4' energy: -30.398 flat angles P-C4'-P energy: -29.010 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1030.020754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.020754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.020754 (E_RNA) where: Base-Base interactions energy: -726.697 where: short stacking energy: -307.688 Base-Backbone interact. energy: -1.148 local terms energy: -302.176513 where: bonds (distance) C4'-P energy: -53.664 bonds (distance) P-C4' energy: -60.994 flat angles C4'-P-C4' energy: -64.009 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -82.514 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: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1018.338712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.338712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.338712 (E_RNA) where: Base-Base interactions energy: -718.648 where: short stacking energy: -287.345 Base-Backbone interact. energy: 2.063 local terms energy: -301.753917 where: bonds (distance) C4'-P energy: -48.796 bonds (distance) P-C4' energy: -50.899 flat angles C4'-P-C4' energy: -64.480 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -87.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -963.730830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.730830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.730830 (E_RNA) where: Base-Base interactions energy: -670.300 where: short stacking energy: -287.258 Base-Backbone interact. energy: -0.117 local terms energy: -293.313745 where: bonds (distance) C4'-P energy: -44.833 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -63.356 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -80.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -884.508914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.508914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.508914 (E_RNA) where: Base-Base interactions energy: -625.896 where: short stacking energy: -249.752 Base-Backbone interact. energy: 4.187 local terms energy: -262.799810 where: bonds (distance) C4'-P energy: -43.241 bonds (distance) P-C4' energy: -57.464 flat angles C4'-P-C4' energy: -52.382 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -65.491 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: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -876.490506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.490506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.490506 (E_RNA) where: Base-Base interactions energy: -618.112 where: short stacking energy: -252.148 Base-Backbone interact. energy: -0.869 local terms energy: -257.510082 where: bonds (distance) C4'-P energy: -49.564 bonds (distance) P-C4' energy: -50.850 flat angles C4'-P-C4' energy: -56.807 flat angles P-C4'-P energy: -37.981 tors. eta vs tors. theta energy: -62.308 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: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -831.364626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.364626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.364626 (E_RNA) where: Base-Base interactions energy: -566.714 where: short stacking energy: -253.799 Base-Backbone interact. energy: -1.319 local terms energy: -263.331633 where: bonds (distance) C4'-P energy: -47.196 bonds (distance) P-C4' energy: -50.007 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -40.803 tors. eta vs tors. theta energy: -60.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -711.077223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.077223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.077223 (E_RNA) where: Base-Base interactions energy: -478.804 where: short stacking energy: -202.488 Base-Backbone interact. energy: 0.648 local terms energy: -232.921410 where: bonds (distance) C4'-P energy: -46.265 bonds (distance) P-C4' energy: -46.104 flat angles C4'-P-C4' energy: -56.939 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -45.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -583.684278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.684278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.684278 (E_RNA) where: Base-Base interactions energy: -389.915 where: short stacking energy: -179.186 Base-Backbone interact. energy: 0.108 local terms energy: -193.877114 where: bonds (distance) C4'-P energy: -28.601 bonds (distance) P-C4' energy: -45.878 flat angles C4'-P-C4' energy: -54.169 flat angles P-C4'-P energy: -28.302 tors. eta vs tors. theta energy: -36.929 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: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -363.839016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.839016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.839016 (E_RNA) where: Base-Base interactions energy: -196.116 where: short stacking energy: -102.767 Base-Backbone interact. energy: -0.536 local terms energy: -167.187545 where: bonds (distance) C4'-P energy: -53.711 bonds (distance) P-C4' energy: -34.413 flat angles C4'-P-C4' energy: -41.590 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: 0.437 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: 220 Temperature: 1.350000 Total energy: -287.792628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.792628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.792628 (E_RNA) where: Base-Base interactions energy: -116.344 where: short stacking energy: -67.999 Base-Backbone interact. energy: 1.600 local terms energy: -173.048926 where: bonds (distance) C4'-P energy: -53.161 bonds (distance) P-C4' energy: -55.345 flat angles C4'-P-C4' energy: -40.401 flat angles P-C4'-P energy: -26.516 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1042.809982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.809982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.809982 (E_RNA) where: Base-Base interactions energy: -726.367 where: short stacking energy: -300.603 Base-Backbone interact. energy: -0.924 local terms energy: -315.519689 where: bonds (distance) C4'-P energy: -62.013 bonds (distance) P-C4' energy: -58.490 flat angles C4'-P-C4' energy: -66.561 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -81.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1013.833458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.833458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.833458 (E_RNA) where: Base-Base interactions energy: -690.986 where: short stacking energy: -287.484 Base-Backbone interact. energy: -2.168 local terms energy: -320.679066 where: bonds (distance) C4'-P energy: -59.797 bonds (distance) P-C4' energy: -59.039 flat angles C4'-P-C4' energy: -67.203 flat angles P-C4'-P energy: -48.183 tors. eta vs tors. theta energy: -86.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -955.328638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.328638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.328638 (E_RNA) where: Base-Base interactions energy: -666.379 where: short stacking energy: -293.227 Base-Backbone interact. energy: -1.646 local terms energy: -287.303164 where: bonds (distance) C4'-P energy: -52.945 bonds (distance) P-C4' energy: -57.697 flat angles C4'-P-C4' energy: -55.550 flat angles P-C4'-P energy: -39.335 tors. eta vs tors. theta energy: -81.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -921.611371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.611371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.611371 (E_RNA) where: Base-Base interactions energy: -636.068 where: short stacking energy: -283.954 Base-Backbone interact. energy: -1.437 local terms energy: -284.105800 where: bonds (distance) C4'-P energy: -54.499 bonds (distance) P-C4' energy: -49.639 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -38.957 tors. eta vs tors. theta energy: -76.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -876.405979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.405979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.405979 (E_RNA) where: Base-Base interactions energy: -602.269 where: short stacking energy: -250.089 Base-Backbone interact. energy: 2.536 local terms energy: -276.673100 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -51.108 flat angles C4'-P-C4' energy: -55.977 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -76.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -844.389615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.389615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.389615 (E_RNA) where: Base-Base interactions energy: -573.387 where: short stacking energy: -254.016 Base-Backbone interact. energy: -0.333 local terms energy: -270.669782 where: bonds (distance) C4'-P energy: -48.460 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -54.738 flat angles P-C4'-P energy: -36.579 tors. eta vs tors. theta energy: -71.283 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: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -706.525236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.525236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.525236 (E_RNA) where: Base-Base interactions energy: -456.225 where: short stacking energy: -220.341 Base-Backbone interact. energy: -1.333 local terms energy: -248.967736 where: bonds (distance) C4'-P energy: -53.341 bonds (distance) P-C4' energy: -50.685 flat angles C4'-P-C4' energy: -52.616 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -56.238 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: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -510.294666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.294666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.294666 (E_RNA) where: Base-Base interactions energy: -306.858 where: short stacking energy: -142.450 Base-Backbone interact. energy: -1.111 local terms energy: -202.325857 where: bonds (distance) C4'-P energy: -51.883 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -48.406 flat angles P-C4'-P energy: -31.691 tors. eta vs tors. theta energy: -20.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -415.920595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.920595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.920595 (E_RNA) where: Base-Base interactions energy: -218.710 where: short stacking energy: -125.175 Base-Backbone interact. energy: -1.648 local terms energy: -195.562471 where: bonds (distance) C4'-P energy: -48.095 bonds (distance) P-C4' energy: -52.068 flat angles C4'-P-C4' energy: -53.852 flat angles P-C4'-P energy: -20.751 tors. eta vs tors. theta energy: -20.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -318.621197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.621197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.621197 (E_RNA) where: Base-Base interactions energy: -170.369 where: short stacking energy: -81.923 Base-Backbone interact. energy: -1.727 local terms energy: -146.525413 where: bonds (distance) C4'-P energy: -49.147 bonds (distance) P-C4' energy: -49.615 flat angles C4'-P-C4' energy: -32.914 flat angles P-C4'-P energy: -19.705 tors. eta vs tors. theta energy: 4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1056.943859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.943859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.943859 (E_RNA) where: Base-Base interactions energy: -727.195 where: short stacking energy: -300.799 Base-Backbone interact. energy: 2.533 local terms energy: -332.282422 where: bonds (distance) C4'-P energy: -64.342 bonds (distance) P-C4' energy: -62.205 flat angles C4'-P-C4' energy: -73.913 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -84.447 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: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1001.848192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.848192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.848192 (E_RNA) where: Base-Base interactions energy: -691.853 where: short stacking energy: -278.764 Base-Backbone interact. energy: -0.637 local terms energy: -309.357869 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -66.252 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -78.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -970.371814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.371814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.371814 (E_RNA) where: Base-Base interactions energy: -652.623 where: short stacking energy: -289.367 Base-Backbone interact. energy: -0.442 local terms energy: -317.306696 where: bonds (distance) C4'-P energy: -61.335 bonds (distance) P-C4' energy: -61.823 flat angles C4'-P-C4' energy: -64.919 flat angles P-C4'-P energy: -42.671 tors. eta vs tors. theta energy: -86.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -900.815452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.815452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.815452 (E_RNA) where: Base-Base interactions energy: -626.242 where: short stacking energy: -255.096 Base-Backbone interact. energy: -1.602 local terms energy: -272.971524 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -41.832 flat angles C4'-P-C4' energy: -72.213 flat angles P-C4'-P energy: -33.376 tors. eta vs tors. theta energy: -72.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -892.047185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.047185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.047185 (E_RNA) where: Base-Base interactions energy: -630.082 where: short stacking energy: -258.599 Base-Backbone interact. energy: 1.465 local terms energy: -263.430351 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -48.586 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -33.802 tors. eta vs tors. theta energy: -67.773 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: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -818.022577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.022577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.022577 (E_RNA) where: Base-Base interactions energy: -545.796 where: short stacking energy: -227.961 Base-Backbone interact. energy: -2.592 local terms energy: -269.634182 where: bonds (distance) C4'-P energy: -44.190 bonds (distance) P-C4' energy: -60.481 flat angles C4'-P-C4' energy: -63.971 flat angles P-C4'-P energy: -39.380 tors. eta vs tors. theta energy: -61.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -695.508556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.508556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.508556 (E_RNA) where: Base-Base interactions energy: -439.781 where: short stacking energy: -198.715 Base-Backbone interact. energy: 3.086 local terms energy: -258.813159 where: bonds (distance) C4'-P energy: -51.168 bonds (distance) P-C4' energy: -57.075 flat angles C4'-P-C4' energy: -62.855 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -46.760 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: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -525.167295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.167295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.167295 (E_RNA) where: Base-Base interactions energy: -306.831 where: short stacking energy: -160.160 Base-Backbone interact. energy: 1.406 local terms energy: -219.742311 where: bonds (distance) C4'-P energy: -51.812 bonds (distance) P-C4' energy: -49.319 flat angles C4'-P-C4' energy: -51.814 flat angles P-C4'-P energy: -37.351 tors. eta vs tors. theta energy: -29.447 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -429.178572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.178572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.178572 (E_RNA) where: Base-Base interactions energy: -234.551 where: short stacking energy: -111.218 Base-Backbone interact. energy: 0.146 local terms energy: -194.773633 where: bonds (distance) C4'-P energy: -53.871 bonds (distance) P-C4' energy: -59.933 flat angles C4'-P-C4' energy: -44.795 flat angles P-C4'-P energy: -28.428 tors. eta vs tors. theta energy: -7.747 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: 222 Temperature: 1.350000 Total energy: -282.175256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.175256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.175256 (E_RNA) where: Base-Base interactions energy: -122.402 where: short stacking energy: -89.749 Base-Backbone interact. energy: 3.068 local terms energy: -162.840945 where: bonds (distance) C4'-P energy: -49.153 bonds (distance) P-C4' energy: -51.302 flat angles C4'-P-C4' energy: -41.460 flat angles P-C4'-P energy: -21.116 tors. eta vs tors. theta energy: 0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1044.171301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.171301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.171301 (E_RNA) where: Base-Base interactions energy: -736.881 where: short stacking energy: -296.747 Base-Backbone interact. energy: -1.133 local terms energy: -306.157706 where: bonds (distance) C4'-P energy: -54.144 bonds (distance) P-C4' energy: -59.703 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -38.488 tors. eta vs tors. theta energy: -85.860 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: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1002.820711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.820711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.820711 (E_RNA) where: Base-Base interactions energy: -704.897 where: short stacking energy: -297.490 Base-Backbone interact. energy: -0.660 local terms energy: -297.263845 where: bonds (distance) C4'-P energy: -57.825 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -63.417 flat angles P-C4'-P energy: -41.144 tors. eta vs tors. theta energy: -78.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -984.141376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.141376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.141376 (E_RNA) where: Base-Base interactions energy: -677.467 where: short stacking energy: -300.737 Base-Backbone interact. energy: -1.052 local terms energy: -305.622493 where: bonds (distance) C4'-P energy: -52.195 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -62.819 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -93.272 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: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -916.171551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.171551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.171551 (E_RNA) where: Base-Base interactions energy: -627.118 where: short stacking energy: -261.205 Base-Backbone interact. energy: -1.917 local terms energy: -287.136331 where: bonds (distance) C4'-P energy: -56.723 bonds (distance) P-C4' energy: -54.262 flat angles C4'-P-C4' energy: -55.117 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -70.903 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: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -893.593437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.593437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.593437 (E_RNA) where: Base-Base interactions energy: -608.934 where: short stacking energy: -258.105 Base-Backbone interact. energy: -0.750 local terms energy: -283.909935 where: bonds (distance) C4'-P energy: -64.285 bonds (distance) P-C4' energy: -53.294 flat angles C4'-P-C4' energy: -60.284 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: -70.835 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: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -804.334008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.334008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.334008 (E_RNA) where: Base-Base interactions energy: -542.974 where: short stacking energy: -230.930 Base-Backbone interact. energy: 3.983 local terms energy: -265.342222 where: bonds (distance) C4'-P energy: -57.655 bonds (distance) P-C4' energy: -51.968 flat angles C4'-P-C4' energy: -53.728 flat angles P-C4'-P energy: -38.086 tors. eta vs tors. theta energy: -63.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -681.903416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.903416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.903416 (E_RNA) where: Base-Base interactions energy: -443.666 where: short stacking energy: -211.671 Base-Backbone interact. energy: 2.957 local terms energy: -241.194344 where: bonds (distance) C4'-P energy: -51.242 bonds (distance) P-C4' energy: -46.686 flat angles C4'-P-C4' energy: -52.792 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: -55.562 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: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -512.004030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.004030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.004030 (E_RNA) where: Base-Base interactions energy: -314.971 where: short stacking energy: -156.431 Base-Backbone interact. energy: -0.943 local terms energy: -196.089434 where: bonds (distance) C4'-P energy: -64.601 bonds (distance) P-C4' energy: -48.952 flat angles C4'-P-C4' energy: -45.609 flat angles P-C4'-P energy: -17.991 tors. eta vs tors. theta energy: -18.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -396.459027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.459027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.459027 (E_RNA) where: Base-Base interactions energy: -220.551 where: short stacking energy: -103.603 Base-Backbone interact. energy: 4.985 local terms energy: -180.892677 where: bonds (distance) C4'-P energy: -43.491 bonds (distance) P-C4' energy: -55.397 flat angles C4'-P-C4' energy: -44.134 flat angles P-C4'-P energy: -31.662 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -266.842915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.842915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.842915 (E_RNA) where: Base-Base interactions energy: -99.429 where: short stacking energy: -73.723 Base-Backbone interact. energy: -0.677 local terms energy: -166.737207 where: bonds (distance) C4'-P energy: -48.525 bonds (distance) P-C4' energy: -40.679 flat angles C4'-P-C4' energy: -42.278 flat angles P-C4'-P energy: -35.369 tors. eta vs tors. theta energy: 0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1041.791740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.791740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.791740 (E_RNA) where: Base-Base interactions energy: -720.392 where: short stacking energy: -285.433 Base-Backbone interact. energy: -2.281 local terms energy: -319.118863 where: bonds (distance) C4'-P energy: -64.710 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -56.422 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -84.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -988.561571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.561571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.561571 (E_RNA) where: Base-Base interactions energy: -693.358 where: short stacking energy: -296.085 Base-Backbone interact. energy: 0.240 local terms energy: -295.443519 where: bonds (distance) C4'-P energy: -54.102 bonds (distance) P-C4' energy: -56.819 flat angles C4'-P-C4' energy: -64.578 flat angles P-C4'-P energy: -36.634 tors. eta vs tors. theta energy: -83.311 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: 224 Temperature: 1.000000 Total energy: -994.557521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.557521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.557521 (E_RNA) where: Base-Base interactions energy: -695.273 where: short stacking energy: -311.911 Base-Backbone interact. energy: -0.046 local terms energy: -299.238244 where: bonds (distance) C4'-P energy: -44.545 bonds (distance) P-C4' energy: -53.327 flat angles C4'-P-C4' energy: -64.346 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -93.430 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: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -890.553352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.553352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.553352 (E_RNA) where: Base-Base interactions energy: -616.471 where: short stacking energy: -249.896 Base-Backbone interact. energy: -0.904 local terms energy: -273.179001 where: bonds (distance) C4'-P energy: -53.932 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -53.648 flat angles P-C4'-P energy: -34.565 tors. eta vs tors. theta energy: -70.603 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -839.193184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.193184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.193184 (E_RNA) where: Base-Base interactions energy: -557.364 where: short stacking energy: -239.236 Base-Backbone interact. energy: -1.036 local terms energy: -280.792488 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -49.191 flat angles C4'-P-C4' energy: -65.384 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -71.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -829.181072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.181072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.181072 (E_RNA) where: Base-Base interactions energy: -561.627 where: short stacking energy: -242.543 Base-Backbone interact. energy: -1.160 local terms energy: -266.393584 where: bonds (distance) C4'-P energy: -51.163 bonds (distance) P-C4' energy: -47.006 flat angles C4'-P-C4' energy: -58.915 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: -68.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -731.542894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.542894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.542894 (E_RNA) where: Base-Base interactions energy: -495.546 where: short stacking energy: -210.744 Base-Backbone interact. energy: -0.367 local terms energy: -235.629958 where: bonds (distance) C4'-P energy: -40.372 bonds (distance) P-C4' energy: -46.837 flat angles C4'-P-C4' energy: -57.458 flat angles P-C4'-P energy: -36.725 tors. eta vs tors. theta energy: -54.238 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: 8, replica: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -523.070969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.070969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.070969 (E_RNA) where: Base-Base interactions energy: -306.036 where: short stacking energy: -170.620 Base-Backbone interact. energy: 0.627 local terms energy: -217.662304 where: bonds (distance) C4'-P energy: -49.625 bonds (distance) P-C4' energy: -45.789 flat angles C4'-P-C4' energy: -57.852 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: -20.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -415.171459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.171459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.171459 (E_RNA) where: Base-Base interactions energy: -232.626 where: short stacking energy: -120.648 Base-Backbone interact. energy: 0.013 local terms energy: -182.558349 where: bonds (distance) C4'-P energy: -49.051 bonds (distance) P-C4' energy: -57.969 flat angles C4'-P-C4' energy: -38.602 flat angles P-C4'-P energy: -24.561 tors. eta vs tors. theta energy: -12.375 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: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -277.372079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.372079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.372079 (E_RNA) where: Base-Base interactions energy: -109.421 where: short stacking energy: -74.684 Base-Backbone interact. energy: 0.858 local terms energy: -168.809900 where: bonds (distance) C4'-P energy: -36.498 bonds (distance) P-C4' energy: -53.648 flat angles C4'-P-C4' energy: -50.398 flat angles P-C4'-P energy: -26.165 tors. eta vs tors. theta energy: -2.101 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: 7 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1034.287278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.287278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.287278 (E_RNA) where: Base-Base interactions energy: -713.427 where: short stacking energy: -299.466 Base-Backbone interact. energy: -2.031 local terms energy: -318.829263 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -67.446 flat angles P-C4'-P energy: -46.032 tors. eta vs tors. theta energy: -81.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1015.317065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.317065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.317065 (E_RNA) where: Base-Base interactions energy: -699.613 where: short stacking energy: -302.412 Base-Backbone interact. energy: -0.792 local terms energy: -314.911201 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -57.824 flat angles C4'-P-C4' energy: -64.550 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: -79.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1013.362845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.362845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.362845 (E_RNA) where: Base-Base interactions energy: -701.803 where: short stacking energy: -310.866 Base-Backbone interact. energy: -0.480 local terms energy: -311.080148 where: bonds (distance) C4'-P energy: -52.115 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -66.470 flat angles P-C4'-P energy: -38.771 tors. eta vs tors. theta energy: -96.114 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: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -890.514399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.514399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.514399 (E_RNA) where: Base-Base interactions energy: -629.559 where: short stacking energy: -265.882 Base-Backbone interact. energy: 1.672 local terms energy: -262.627307 where: bonds (distance) C4'-P energy: -47.917 bonds (distance) P-C4' energy: -42.049 flat angles C4'-P-C4' energy: -62.825 flat angles P-C4'-P energy: -39.982 tors. eta vs tors. theta energy: -69.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -824.282382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.282382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.282382 (E_RNA) where: Base-Base interactions energy: -557.682 where: short stacking energy: -251.525 Base-Backbone interact. energy: 6.884 local terms energy: -273.484243 where: bonds (distance) C4'-P energy: -42.082 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -63.977 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: -66.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -872.549204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.549204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.549204 (E_RNA) where: Base-Base interactions energy: -614.753 where: short stacking energy: -250.950 Base-Backbone interact. energy: 0.163 local terms energy: -257.958850 where: bonds (distance) C4'-P energy: -46.244 bonds (distance) P-C4' energy: -46.650 flat angles C4'-P-C4' energy: -57.493 flat angles P-C4'-P energy: -37.005 tors. eta vs tors. theta energy: -70.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -698.344056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.344056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.344056 (E_RNA) where: Base-Base interactions energy: -452.092 where: short stacking energy: -210.496 Base-Backbone interact. energy: -1.163 local terms energy: -245.088365 where: bonds (distance) C4'-P energy: -51.546 bonds (distance) P-C4' energy: -46.422 flat angles C4'-P-C4' energy: -57.094 flat angles P-C4'-P energy: -40.933 tors. eta vs tors. theta energy: -49.092 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: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -493.717452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.717452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.717452 (E_RNA) where: Base-Base interactions energy: -303.829 where: short stacking energy: -170.479 Base-Backbone interact. energy: 0.493 local terms energy: -190.381232 where: bonds (distance) C4'-P energy: -38.637 bonds (distance) P-C4' energy: -52.995 flat angles C4'-P-C4' energy: -58.846 flat angles P-C4'-P energy: -16.358 tors. eta vs tors. theta energy: -23.546 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: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -381.680060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.680060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.680060 (E_RNA) where: Base-Base interactions energy: -215.634 where: short stacking energy: -120.148 Base-Backbone interact. energy: 0.771 local terms energy: -166.817258 where: bonds (distance) C4'-P energy: -32.142 bonds (distance) P-C4' energy: -45.088 flat angles C4'-P-C4' energy: -52.603 flat angles P-C4'-P energy: -12.351 tors. eta vs tors. theta energy: -24.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -275.522008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.522008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.522008 (E_RNA) where: Base-Base interactions energy: -108.201 where: short stacking energy: -90.721 Base-Backbone interact. energy: 0.256 local terms energy: -167.577564 where: bonds (distance) C4'-P energy: -52.336 bonds (distance) P-C4' energy: -60.548 flat angles C4'-P-C4' energy: -37.155 flat angles P-C4'-P energy: -22.951 tors. eta vs tors. theta energy: 5.413 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: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1029.619832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.619832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.619832 (E_RNA) where: Base-Base interactions energy: -727.586 where: short stacking energy: -303.686 Base-Backbone interact. energy: -1.103 local terms energy: -300.930948 where: bonds (distance) C4'-P energy: -52.532 bonds (distance) P-C4' energy: -53.967 flat angles C4'-P-C4' energy: -59.251 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -88.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1029.332565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.332565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.332565 (E_RNA) where: Base-Base interactions energy: -710.395 where: short stacking energy: -298.942 Base-Backbone interact. energy: -1.249 local terms energy: -317.688973 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -56.925 flat angles C4'-P-C4' energy: -63.783 flat angles P-C4'-P energy: -46.148 tors. eta vs tors. theta energy: -88.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1002.997284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.997284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.997284 (E_RNA) where: Base-Base interactions energy: -688.383 where: short stacking energy: -299.978 Base-Backbone interact. energy: -1.243 local terms energy: -313.371149 where: bonds (distance) C4'-P energy: -53.024 bonds (distance) P-C4' energy: -58.577 flat angles C4'-P-C4' energy: -66.914 flat angles P-C4'-P energy: -43.176 tors. eta vs tors. theta energy: -91.680 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: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -868.335228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.335228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.335228 (E_RNA) where: Base-Base interactions energy: -620.139 where: short stacking energy: -245.407 Base-Backbone interact. energy: 1.576 local terms energy: -249.772745 where: bonds (distance) C4'-P energy: -40.159 bonds (distance) P-C4' energy: -51.025 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -31.135 tors. eta vs tors. theta energy: -64.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -897.070306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.070306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.070306 (E_RNA) where: Base-Base interactions energy: -605.989 where: short stacking energy: -258.992 Base-Backbone interact. energy: -1.711 local terms energy: -289.370203 where: bonds (distance) C4'-P energy: -57.687 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -59.503 flat angles P-C4'-P energy: -42.132 tors. eta vs tors. theta energy: -72.156 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: 226 Temperature: 1.150000 Total energy: -832.905356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.905356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.905356 (E_RNA) where: Base-Base interactions energy: -585.699 where: short stacking energy: -230.263 Base-Backbone interact. energy: -0.570 local terms energy: -246.635803 where: bonds (distance) C4'-P energy: -32.429 bonds (distance) P-C4' energy: -50.857 flat angles C4'-P-C4' energy: -62.917 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: -58.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -719.203340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.203340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.203340 (E_RNA) where: Base-Base interactions energy: -474.290 where: short stacking energy: -199.238 Base-Backbone interact. energy: -1.214 local terms energy: -243.698727 where: bonds (distance) C4'-P energy: -51.016 bonds (distance) P-C4' energy: -53.995 flat angles C4'-P-C4' energy: -48.287 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -52.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -493.542513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.542513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.542513 (E_RNA) where: Base-Base interactions energy: -263.991 where: short stacking energy: -122.826 Base-Backbone interact. energy: -1.524 local terms energy: -228.027059 where: bonds (distance) C4'-P energy: -49.640 bonds (distance) P-C4' energy: -59.910 flat angles C4'-P-C4' energy: -57.067 flat angles P-C4'-P energy: -39.514 tors. eta vs tors. theta energy: -21.897 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: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -452.403044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.403044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.403044 (E_RNA) where: Base-Base interactions energy: -263.258 where: short stacking energy: -138.608 Base-Backbone interact. energy: 1.155 local terms energy: -190.300476 where: bonds (distance) C4'-P energy: -40.227 bonds (distance) P-C4' energy: -51.768 flat angles C4'-P-C4' energy: -48.138 flat angles P-C4'-P energy: -22.675 tors. eta vs tors. theta energy: -27.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -253.883469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.883469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.883469 (E_RNA) where: Base-Base interactions energy: -83.622 where: short stacking energy: -77.896 Base-Backbone interact. energy: -1.595 local terms energy: -168.666128 where: bonds (distance) C4'-P energy: -47.215 bonds (distance) P-C4' energy: -46.921 flat angles C4'-P-C4' energy: -49.605 flat angles P-C4'-P energy: -20.858 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1030.544985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.544985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.544985 (E_RNA) where: Base-Base interactions energy: -731.542 where: short stacking energy: -303.408 Base-Backbone interact. energy: -0.441 local terms energy: -298.561759 where: bonds (distance) C4'-P energy: -58.073 bonds (distance) P-C4' energy: -52.301 flat angles C4'-P-C4' energy: -64.250 flat angles P-C4'-P energy: -34.769 tors. eta vs tors. theta energy: -89.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1022.720015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.720015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.720015 (E_RNA) where: Base-Base interactions energy: -713.893 where: short stacking energy: -309.720 Base-Backbone interact. energy: -0.895 local terms energy: -307.932716 where: bonds (distance) C4'-P energy: -57.042 bonds (distance) P-C4' energy: -55.025 flat angles C4'-P-C4' energy: -67.440 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -80.646 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: 7 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -990.724202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.724202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.724202 (E_RNA) where: Base-Base interactions energy: -694.964 where: short stacking energy: -280.578 Base-Backbone interact. energy: -1.304 local terms energy: -294.456202 where: bonds (distance) C4'-P energy: -53.264 bonds (distance) P-C4' energy: -51.289 flat angles C4'-P-C4' energy: -63.843 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -81.274 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: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -948.442920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.442920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.442920 (E_RNA) where: Base-Base interactions energy: -643.836 where: short stacking energy: -275.117 Base-Backbone interact. energy: 2.142 local terms energy: -306.749033 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -61.748 flat angles C4'-P-C4' energy: -65.856 flat angles P-C4'-P energy: -43.181 tors. eta vs tors. theta energy: -78.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -873.783199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.783199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.783199 (E_RNA) where: Base-Base interactions energy: -615.362 where: short stacking energy: -266.791 Base-Backbone interact. energy: 1.566 local terms energy: -259.986903 where: bonds (distance) C4'-P energy: -44.596 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -31.655 tors. eta vs tors. theta energy: -59.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -858.663422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.663422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.663422 (E_RNA) where: Base-Base interactions energy: -601.725 where: short stacking energy: -245.893 Base-Backbone interact. energy: -1.432 local terms energy: -255.506364 where: bonds (distance) C4'-P energy: -51.110 bonds (distance) P-C4' energy: -46.615 flat angles C4'-P-C4' energy: -53.269 flat angles P-C4'-P energy: -36.045 tors. eta vs tors. theta energy: -68.468 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: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -714.820489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.820489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.820489 (E_RNA) where: Base-Base interactions energy: -465.725 where: short stacking energy: -221.214 Base-Backbone interact. energy: -0.538 local terms energy: -248.557481 where: bonds (distance) C4'-P energy: -47.490 bonds (distance) P-C4' energy: -54.171 flat angles C4'-P-C4' energy: -61.420 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -48.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -456.438548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.438548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.438548 (E_RNA) where: Base-Base interactions energy: -263.294 where: short stacking energy: -158.153 Base-Backbone interact. energy: -1.082 local terms energy: -192.063315 where: bonds (distance) C4'-P energy: -32.721 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -58.398 flat angles P-C4'-P energy: -18.290 tors. eta vs tors. theta energy: -22.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -443.944039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.944039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.944039 (E_RNA) where: Base-Base interactions energy: -278.377 where: short stacking energy: -135.505 Base-Backbone interact. energy: -0.164 local terms energy: -165.402948 where: bonds (distance) C4'-P energy: -33.383 bonds (distance) P-C4' energy: -46.433 flat angles C4'-P-C4' energy: -52.550 flat angles P-C4'-P energy: -23.796 tors. eta vs tors. theta energy: -9.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -265.864187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.864187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.864187 (E_RNA) where: Base-Base interactions energy: -112.159 where: short stacking energy: -91.142 Base-Backbone interact. energy: 3.241 local terms energy: -156.945906 where: bonds (distance) C4'-P energy: -43.444 bonds (distance) P-C4' energy: -49.092 flat angles C4'-P-C4' energy: -41.394 flat angles P-C4'-P energy: -27.616 tors. eta vs tors. theta energy: 4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1042.227855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.227855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.227855 (E_RNA) where: Base-Base interactions energy: -716.004 where: short stacking energy: -316.352 Base-Backbone interact. energy: -1.668 local terms energy: -324.556497 where: bonds (distance) C4'-P energy: -55.391 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -70.671 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -92.549 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: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1008.732077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.732077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.732077 (E_RNA) where: Base-Base interactions energy: -686.294 where: short stacking energy: -309.545 Base-Backbone interact. energy: 1.545 local terms energy: -323.982630 where: bonds (distance) C4'-P energy: -64.391 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -64.160 flat angles P-C4'-P energy: -44.257 tors. eta vs tors. theta energy: -89.658 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: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -985.080350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.080350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.080350 (E_RNA) where: Base-Base interactions energy: -696.003 where: short stacking energy: -276.923 Base-Backbone interact. energy: -1.389 local terms energy: -287.687486 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -51.828 flat angles C4'-P-C4' energy: -55.586 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -77.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -974.085555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.085555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.085555 (E_RNA) where: Base-Base interactions energy: -675.822 where: short stacking energy: -290.946 Base-Backbone interact. energy: -0.379 local terms energy: -297.884694 where: bonds (distance) C4'-P energy: -54.714 bonds (distance) P-C4' energy: -47.351 flat angles C4'-P-C4' energy: -68.268 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -81.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -863.284001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.284001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.284001 (E_RNA) where: Base-Base interactions energy: -590.196 where: short stacking energy: -266.884 Base-Backbone interact. energy: 1.131 local terms energy: -274.219188 where: bonds (distance) C4'-P energy: -49.729 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -56.478 flat angles P-C4'-P energy: -37.382 tors. eta vs tors. theta energy: -70.768 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: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -797.482016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.482016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.482016 (E_RNA) where: Base-Base interactions energy: -543.765 where: short stacking energy: -223.409 Base-Backbone interact. energy: 0.283 local terms energy: -254.000065 where: bonds (distance) C4'-P energy: -53.486 bonds (distance) P-C4' energy: -50.547 flat angles C4'-P-C4' energy: -64.241 flat angles P-C4'-P energy: -35.900 tors. eta vs tors. theta energy: -49.827 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: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -699.537909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.537909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.537909 (E_RNA) where: Base-Base interactions energy: -465.097 where: short stacking energy: -214.011 Base-Backbone interact. energy: -1.473 local terms energy: -232.967858 where: bonds (distance) C4'-P energy: -38.637 bonds (distance) P-C4' energy: -40.316 flat angles C4'-P-C4' energy: -49.366 flat angles P-C4'-P energy: -47.320 tors. eta vs tors. theta energy: -57.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -501.363499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.363499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.363499 (E_RNA) where: Base-Base interactions energy: -311.647 where: short stacking energy: -151.228 Base-Backbone interact. energy: -0.793 local terms energy: -188.923613 where: bonds (distance) C4'-P energy: -42.757 bonds (distance) P-C4' energy: -43.916 flat angles C4'-P-C4' energy: -50.046 flat angles P-C4'-P energy: -28.372 tors. eta vs tors. theta energy: -23.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -466.717388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.717388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.717388 (E_RNA) where: Base-Base interactions energy: -264.018 where: short stacking energy: -126.374 Base-Backbone interact. energy: -1.095 local terms energy: -201.604000 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -41.725 flat angles C4'-P-C4' energy: -47.489 flat angles P-C4'-P energy: -32.970 tors. eta vs tors. theta energy: -21.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -247.905043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.905043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.905043 (E_RNA) where: Base-Base interactions energy: -92.987 where: short stacking energy: -77.860 Base-Backbone interact. energy: -1.097 local terms energy: -153.820695 where: bonds (distance) C4'-P energy: -44.568 bonds (distance) P-C4' energy: -50.113 flat angles C4'-P-C4' energy: -44.360 flat angles P-C4'-P energy: -29.922 tors. eta vs tors. theta energy: 15.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1051.229125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.229125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.229125 (E_RNA) where: Base-Base interactions energy: -725.913 where: short stacking energy: -334.226 Base-Backbone interact. energy: -0.725 local terms energy: -324.590879 where: bonds (distance) C4'-P energy: -61.226 bonds (distance) P-C4' energy: -52.581 flat angles C4'-P-C4' energy: -68.867 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -93.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1007.586806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.586806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.586806 (E_RNA) where: Base-Base interactions energy: -716.871 where: short stacking energy: -286.414 Base-Backbone interact. energy: 0.799 local terms energy: -291.514646 where: bonds (distance) C4'-P energy: -55.868 bonds (distance) P-C4' energy: -44.861 flat angles C4'-P-C4' energy: -66.020 flat angles P-C4'-P energy: -39.818 tors. eta vs tors. theta energy: -84.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -986.151778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.151778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.151778 (E_RNA) where: Base-Base interactions energy: -685.139 where: short stacking energy: -281.478 Base-Backbone interact. energy: -1.226 local terms energy: -299.787172 where: bonds (distance) C4'-P energy: -56.479 bonds (distance) P-C4' energy: -53.315 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -78.475 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: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -950.770768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.770768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.770768 (E_RNA) where: Base-Base interactions energy: -669.984 where: short stacking energy: -280.737 Base-Backbone interact. energy: -1.556 local terms energy: -279.230217 where: bonds (distance) C4'-P energy: -51.378 bonds (distance) P-C4' energy: -48.778 flat angles C4'-P-C4' energy: -65.579 flat angles P-C4'-P energy: -33.980 tors. eta vs tors. theta energy: -79.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -881.898881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.898881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.898881 (E_RNA) where: Base-Base interactions energy: -607.985 where: short stacking energy: -262.331 Base-Backbone interact. energy: -0.305 local terms energy: -273.608476 where: bonds (distance) C4'-P energy: -48.097 bonds (distance) P-C4' energy: -55.848 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -32.871 tors. eta vs tors. theta energy: -73.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -832.022054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.022054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.022054 (E_RNA) where: Base-Base interactions energy: -564.651 where: short stacking energy: -244.207 Base-Backbone interact. energy: 0.429 local terms energy: -267.799517 where: bonds (distance) C4'-P energy: -43.231 bonds (distance) P-C4' energy: -54.166 flat angles C4'-P-C4' energy: -61.492 flat angles P-C4'-P energy: -45.532 tors. eta vs tors. theta energy: -63.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -695.430148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.430148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.430148 (E_RNA) where: Base-Base interactions energy: -466.904 where: short stacking energy: -227.677 Base-Backbone interact. energy: -0.726 local terms energy: -227.800024 where: bonds (distance) C4'-P energy: -43.606 bonds (distance) P-C4' energy: -39.577 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -24.997 tors. eta vs tors. theta energy: -58.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -538.020185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.020185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.020185 (E_RNA) where: Base-Base interactions energy: -335.405 where: short stacking energy: -147.298 Base-Backbone interact. energy: -1.169 local terms energy: -201.446219 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -60.551 flat angles C4'-P-C4' energy: -43.297 flat angles P-C4'-P energy: -24.515 tors. eta vs tors. theta energy: -21.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -428.698939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.698939 (E_RNA) where: Base-Base interactions energy: -238.801 where: short stacking energy: -128.263 Base-Backbone interact. energy: -0.150 local terms energy: -189.747217 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -57.350 flat angles C4'-P-C4' energy: -41.443 flat angles P-C4'-P energy: -19.666 tors. eta vs tors. theta energy: -19.064 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: 229 Temperature: 1.350000 Total energy: -277.572432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.572432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.572432 (E_RNA) where: Base-Base interactions energy: -113.153 where: short stacking energy: -87.094 Base-Backbone interact. energy: -1.410 local terms energy: -163.009883 where: bonds (distance) C4'-P energy: -47.141 bonds (distance) P-C4' energy: -44.950 flat angles C4'-P-C4' energy: -47.204 flat angles P-C4'-P energy: -23.647 tors. eta vs tors. theta energy: -0.068 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: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1051.969376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.969376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.969376 (E_RNA) where: Base-Base interactions energy: -729.250 where: short stacking energy: -320.868 Base-Backbone interact. energy: 0.766 local terms energy: -323.485315 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -50.432 flat angles C4'-P-C4' energy: -68.155 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -92.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1015.052119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.052119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.052119 (E_RNA) where: Base-Base interactions energy: -706.312 where: short stacking energy: -277.922 Base-Backbone interact. energy: 1.656 local terms energy: -310.396618 where: bonds (distance) C4'-P energy: -59.503 bonds (distance) P-C4' energy: -62.956 flat angles C4'-P-C4' energy: -58.370 flat angles P-C4'-P energy: -48.921 tors. eta vs tors. theta energy: -80.647 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: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -976.351899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.351899 (E_RNA) where: Base-Base interactions energy: -681.183 where: short stacking energy: -276.558 Base-Backbone interact. energy: 0.074 local terms energy: -295.242920 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -60.125 flat angles C4'-P-C4' energy: -63.697 flat angles P-C4'-P energy: -37.222 tors. eta vs tors. theta energy: -78.810 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: 230 Temperature: 1.050000 Total energy: -949.438010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.438010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.438010 (E_RNA) where: Base-Base interactions energy: -668.505 where: short stacking energy: -268.781 Base-Backbone interact. energy: -0.439 local terms energy: -280.494309 where: bonds (distance) C4'-P energy: -54.637 bonds (distance) P-C4' energy: -46.150 flat angles C4'-P-C4' energy: -67.217 flat angles P-C4'-P energy: -37.051 tors. eta vs tors. theta energy: -75.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -888.353473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.353473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.353473 (E_RNA) where: Base-Base interactions energy: -609.654 where: short stacking energy: -265.224 Base-Backbone interact. energy: -1.957 local terms energy: -276.742891 where: bonds (distance) C4'-P energy: -50.572 bonds (distance) P-C4' energy: -56.513 flat angles C4'-P-C4' energy: -58.973 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -71.478 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: 230 Temperature: 1.150000 Total energy: -820.003488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.003488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.003488 (E_RNA) where: Base-Base interactions energy: -543.653 where: short stacking energy: -224.868 Base-Backbone interact. energy: -1.605 local terms energy: -274.745567 where: bonds (distance) C4'-P energy: -52.556 bonds (distance) P-C4' energy: -53.459 flat angles C4'-P-C4' energy: -64.471 flat angles P-C4'-P energy: -44.325 tors. eta vs tors. theta energy: -59.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -687.958480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.958480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.958480 (E_RNA) where: Base-Base interactions energy: -460.093 where: short stacking energy: -230.782 Base-Backbone interact. energy: 1.544 local terms energy: -229.409384 where: bonds (distance) C4'-P energy: -49.653 bonds (distance) P-C4' energy: -43.147 flat angles C4'-P-C4' energy: -53.927 flat angles P-C4'-P energy: -24.555 tors. eta vs tors. theta energy: -58.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -592.365019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.365019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.365019 (E_RNA) where: Base-Base interactions energy: -356.625 where: short stacking energy: -177.336 Base-Backbone interact. energy: -1.472 local terms energy: -234.268480 where: bonds (distance) C4'-P energy: -55.342 bonds (distance) P-C4' energy: -45.718 flat angles C4'-P-C4' energy: -60.397 flat angles P-C4'-P energy: -35.932 tors. eta vs tors. theta energy: -36.880 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: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -397.918395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.918395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.918395 (E_RNA) where: Base-Base interactions energy: -223.900 where: short stacking energy: -102.829 Base-Backbone interact. energy: 0.243 local terms energy: -174.261203 where: bonds (distance) C4'-P energy: -38.938 bonds (distance) P-C4' energy: -50.903 flat angles C4'-P-C4' energy: -53.711 flat angles P-C4'-P energy: -25.929 tors. eta vs tors. theta energy: -4.779 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: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -275.447071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.447071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.447071 (E_RNA) where: Base-Base interactions energy: -100.370 where: short stacking energy: -80.270 Base-Backbone interact. energy: -2.279 local terms energy: -172.798248 where: bonds (distance) C4'-P energy: -38.680 bonds (distance) P-C4' energy: -60.601 flat angles C4'-P-C4' energy: -41.754 flat angles P-C4'-P energy: -26.596 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1044.989113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.989113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.989113 (E_RNA) where: Base-Base interactions energy: -732.023 where: short stacking energy: -315.430 Base-Backbone interact. energy: -0.686 local terms energy: -312.279322 where: bonds (distance) C4'-P energy: -46.082 bonds (distance) P-C4' energy: -55.500 flat angles C4'-P-C4' energy: -72.886 flat angles P-C4'-P energy: -50.805 tors. eta vs tors. theta energy: -87.006 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -989.946584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.946584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.946584 (E_RNA) where: Base-Base interactions energy: -701.328 where: short stacking energy: -294.472 Base-Backbone interact. energy: -1.404 local terms energy: -287.214941 where: bonds (distance) C4'-P energy: -62.471 bonds (distance) P-C4' energy: -58.653 flat angles C4'-P-C4' energy: -56.482 flat angles P-C4'-P energy: -31.574 tors. eta vs tors. theta energy: -78.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -968.742764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.742764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.742764 (E_RNA) where: Base-Base interactions energy: -678.142 where: short stacking energy: -275.941 Base-Backbone interact. energy: -0.938 local terms energy: -289.662773 where: bonds (distance) C4'-P energy: -59.795 bonds (distance) P-C4' energy: -55.824 flat angles C4'-P-C4' energy: -52.024 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -77.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -931.335648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.335648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.335648 (E_RNA) where: Base-Base interactions energy: -648.411 where: short stacking energy: -277.789 Base-Backbone interact. energy: -0.760 local terms energy: -282.164566 where: bonds (distance) C4'-P energy: -41.990 bonds (distance) P-C4' energy: -51.947 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -81.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -895.234138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.234138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.234138 (E_RNA) where: Base-Base interactions energy: -613.770 where: short stacking energy: -271.737 Base-Backbone interact. energy: -1.585 local terms energy: -279.879090 where: bonds (distance) C4'-P energy: -53.362 bonds (distance) P-C4' energy: -59.251 flat angles C4'-P-C4' energy: -60.095 flat angles P-C4'-P energy: -33.450 tors. eta vs tors. theta energy: -73.721 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: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -848.363854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.363854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.363854 (E_RNA) where: Base-Base interactions energy: -569.263 where: short stacking energy: -250.308 Base-Backbone interact. energy: -0.188 local terms energy: -278.912611 where: bonds (distance) C4'-P energy: -50.981 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -56.461 flat angles P-C4'-P energy: -40.647 tors. eta vs tors. theta energy: -70.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -698.015671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.015671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.015671 (E_RNA) where: Base-Base interactions energy: -446.097 where: short stacking energy: -195.990 Base-Backbone interact. energy: 0.385 local terms energy: -252.303398 where: bonds (distance) C4'-P energy: -45.920 bonds (distance) P-C4' energy: -54.162 flat angles C4'-P-C4' energy: -60.149 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: -50.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -446.880192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.880192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.880192 (E_RNA) where: Base-Base interactions energy: -257.709 where: short stacking energy: -131.026 Base-Backbone interact. energy: 0.937 local terms energy: -190.107740 where: bonds (distance) C4'-P energy: -56.607 bonds (distance) P-C4' energy: -53.516 flat angles C4'-P-C4' energy: -42.882 flat angles P-C4'-P energy: -27.429 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -502.728684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.728684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.728684 (E_RNA) where: Base-Base interactions energy: -309.812 where: short stacking energy: -141.587 Base-Backbone interact. energy: 0.189 local terms energy: -193.104841 where: bonds (distance) C4'-P energy: -44.279 bonds (distance) P-C4' energy: -56.831 flat angles C4'-P-C4' energy: -50.492 flat angles P-C4'-P energy: -20.361 tors. eta vs tors. theta energy: -21.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -268.888514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.888514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.888514 (E_RNA) where: Base-Base interactions energy: -88.111 where: short stacking energy: -82.781 Base-Backbone interact. energy: 2.818 local terms energy: -183.596104 where: bonds (distance) C4'-P energy: -45.515 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -45.306 flat angles P-C4'-P energy: -29.055 tors. eta vs tors. theta energy: -6.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1035.677704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.677704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.677704 (E_RNA) where: Base-Base interactions energy: -710.663 where: short stacking energy: -317.123 Base-Backbone interact. energy: -0.525 local terms energy: -324.489435 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -61.489 flat angles C4'-P-C4' energy: -67.051 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -88.320 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: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -993.054554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.054554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.054554 (E_RNA) where: Base-Base interactions energy: -684.448 where: short stacking energy: -290.655 Base-Backbone interact. energy: 2.452 local terms energy: -311.058909 where: bonds (distance) C4'-P energy: -59.226 bonds (distance) P-C4' energy: -60.304 flat angles C4'-P-C4' energy: -68.538 flat angles P-C4'-P energy: -40.308 tors. eta vs tors. theta energy: -82.683 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: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -964.416111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.416111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.416111 (E_RNA) where: Base-Base interactions energy: -654.025 where: short stacking energy: -280.206 Base-Backbone interact. energy: -0.780 local terms energy: -309.612015 where: bonds (distance) C4'-P energy: -60.640 bonds (distance) P-C4' energy: -62.602 flat angles C4'-P-C4' energy: -73.412 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: -71.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -973.633912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.633912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.633912 (E_RNA) where: Base-Base interactions energy: -693.234 where: short stacking energy: -284.586 Base-Backbone interact. energy: 1.812 local terms energy: -282.212151 where: bonds (distance) C4'-P energy: -44.159 bonds (distance) P-C4' energy: -59.857 flat angles C4'-P-C4' energy: -60.838 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -72.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -917.818533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.818533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.818533 (E_RNA) where: Base-Base interactions energy: -612.835 where: short stacking energy: -283.249 Base-Backbone interact. energy: -0.961 local terms energy: -304.022801 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -56.530 flat angles C4'-P-C4' energy: -66.873 flat angles P-C4'-P energy: -42.083 tors. eta vs tors. theta energy: -76.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -822.420377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.420377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.420377 (E_RNA) where: Base-Base interactions energy: -579.827 where: short stacking energy: -237.992 Base-Backbone interact. energy: -0.981 local terms energy: -241.612287 where: bonds (distance) C4'-P energy: -34.531 bonds (distance) P-C4' energy: -50.217 flat angles C4'-P-C4' energy: -60.803 flat angles P-C4'-P energy: -36.444 tors. eta vs tors. theta energy: -59.618 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: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -675.259198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.259198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.259198 (E_RNA) where: Base-Base interactions energy: -430.012 where: short stacking energy: -196.874 Base-Backbone interact. energy: 0.307 local terms energy: -245.554703 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -47.114 flat angles C4'-P-C4' energy: -57.888 flat angles P-C4'-P energy: -32.158 tors. eta vs tors. theta energy: -51.823 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: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -492.579995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.579995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.579995 (E_RNA) where: Base-Base interactions energy: -318.286 where: short stacking energy: -150.911 Base-Backbone interact. energy: -0.821 local terms energy: -173.473166 where: bonds (distance) C4'-P energy: -39.230 bonds (distance) P-C4' energy: -53.137 flat angles C4'-P-C4' energy: -40.194 flat angles P-C4'-P energy: -25.450 tors. eta vs tors. theta energy: -15.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -516.339807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.339807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.339807 (E_RNA) where: Base-Base interactions energy: -321.376 where: short stacking energy: -155.092 Base-Backbone interact. energy: -1.822 local terms energy: -193.141859 where: bonds (distance) C4'-P energy: -45.369 bonds (distance) P-C4' energy: -49.338 flat angles C4'-P-C4' energy: -37.120 flat angles P-C4'-P energy: -27.704 tors. eta vs tors. theta energy: -33.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -254.675806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.675806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.675806 (E_RNA) where: Base-Base interactions energy: -98.918 where: short stacking energy: -67.117 Base-Backbone interact. energy: -0.746 local terms energy: -155.012127 where: bonds (distance) C4'-P energy: -41.664 bonds (distance) P-C4' energy: -54.093 flat angles C4'-P-C4' energy: -37.839 flat angles P-C4'-P energy: -21.668 tors. eta vs tors. theta energy: 0.252 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: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1042.357657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.357657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.357657 (E_RNA) where: Base-Base interactions energy: -720.631 where: short stacking energy: -329.749 Base-Backbone interact. energy: -1.976 local terms energy: -319.751137 where: bonds (distance) C4'-P energy: -54.340 bonds (distance) P-C4' energy: -53.733 flat angles C4'-P-C4' energy: -66.365 flat angles P-C4'-P energy: -46.816 tors. eta vs tors. theta energy: -98.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -988.978330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.978330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.978330 (E_RNA) where: Base-Base interactions energy: -675.156 where: short stacking energy: -297.545 Base-Backbone interact. energy: -1.055 local terms energy: -312.767601 where: bonds (distance) C4'-P energy: -59.661 bonds (distance) P-C4' energy: -62.217 flat angles C4'-P-C4' energy: -61.524 flat angles P-C4'-P energy: -41.626 tors. eta vs tors. theta energy: -87.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -978.276660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.276660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.276660 (E_RNA) where: Base-Base interactions energy: -680.297 where: short stacking energy: -281.108 Base-Backbone interact. energy: -0.343 local terms energy: -297.636845 where: bonds (distance) C4'-P energy: -58.704 bonds (distance) P-C4' energy: -55.678 flat angles C4'-P-C4' energy: -62.256 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -78.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -958.135794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.135794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.135794 (E_RNA) where: Base-Base interactions energy: -673.378 where: short stacking energy: -274.597 Base-Backbone interact. energy: -1.063 local terms energy: -283.694639 where: bonds (distance) C4'-P energy: -46.666 bonds (distance) P-C4' energy: -53.727 flat angles C4'-P-C4' energy: -63.925 flat angles P-C4'-P energy: -40.677 tors. eta vs tors. theta energy: -78.700 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: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -881.285185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.285185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.285185 (E_RNA) where: Base-Base interactions energy: -610.952 where: short stacking energy: -269.495 Base-Backbone interact. energy: -0.963 local terms energy: -269.369768 where: bonds (distance) C4'-P energy: -53.860 bonds (distance) P-C4' energy: -51.593 flat angles C4'-P-C4' energy: -64.580 flat angles P-C4'-P energy: -29.650 tors. eta vs tors. theta energy: -69.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -800.494994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.494994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.494994 (E_RNA) where: Base-Base interactions energy: -531.631 where: short stacking energy: -216.403 Base-Backbone interact. energy: -1.150 local terms energy: -267.714191 where: bonds (distance) C4'-P energy: -53.916 bonds (distance) P-C4' energy: -61.903 flat angles C4'-P-C4' energy: -58.462 flat angles P-C4'-P energy: -39.170 tors. eta vs tors. theta energy: -54.264 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: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -703.263303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.263303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.263303 (E_RNA) where: Base-Base interactions energy: -461.454 where: short stacking energy: -194.402 Base-Backbone interact. energy: -1.341 local terms energy: -240.468652 where: bonds (distance) C4'-P energy: -52.900 bonds (distance) P-C4' energy: -49.276 flat angles C4'-P-C4' energy: -53.448 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -47.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -502.020233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.020233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.020233 (E_RNA) where: Base-Base interactions energy: -307.456 where: short stacking energy: -155.760 Base-Backbone interact. energy: -0.952 local terms energy: -193.612098 where: bonds (distance) C4'-P energy: -48.321 bonds (distance) P-C4' energy: -49.781 flat angles C4'-P-C4' energy: -50.383 flat angles P-C4'-P energy: -20.510 tors. eta vs tors. theta energy: -24.617 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: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -495.735452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.735452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.735452 (E_RNA) where: Base-Base interactions energy: -283.933 where: short stacking energy: -134.416 Base-Backbone interact. energy: -2.088 local terms energy: -209.714756 where: bonds (distance) C4'-P energy: -56.339 bonds (distance) P-C4' energy: -44.179 flat angles C4'-P-C4' energy: -53.095 flat angles P-C4'-P energy: -32.589 tors. eta vs tors. theta energy: -23.513 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: 233 Temperature: 1.350000 Total energy: -317.409908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.409908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.409908 (E_RNA) where: Base-Base interactions energy: -149.579 where: short stacking energy: -92.207 Base-Backbone interact. energy: -2.746 local terms energy: -165.085397 where: bonds (distance) C4'-P energy: -39.741 bonds (distance) P-C4' energy: -53.365 flat angles C4'-P-C4' energy: -43.215 flat angles P-C4'-P energy: -24.977 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1042.351931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.351931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.351931 (E_RNA) where: Base-Base interactions energy: -717.004 where: short stacking energy: -317.957 Base-Backbone interact. energy: -1.219 local terms energy: -324.128795 where: bonds (distance) C4'-P energy: -54.406 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -64.469 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -99.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -998.616547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.616547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.616547 (E_RNA) where: Base-Base interactions energy: -676.245 where: short stacking energy: -297.079 Base-Backbone interact. energy: -1.029 local terms energy: -321.343043 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -85.538 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: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -966.398505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.398505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.398505 (E_RNA) where: Base-Base interactions energy: -668.362 where: short stacking energy: -276.911 Base-Backbone interact. energy: -1.963 local terms energy: -296.073360 where: bonds (distance) C4'-P energy: -55.655 bonds (distance) P-C4' energy: -60.114 flat angles C4'-P-C4' energy: -61.437 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -74.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -942.679913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.679913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.679913 (E_RNA) where: Base-Base interactions energy: -642.084 where: short stacking energy: -279.154 Base-Backbone interact. energy: -2.796 local terms energy: -297.799334 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -52.280 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -78.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -882.093147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.093147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.093147 (E_RNA) where: Base-Base interactions energy: -596.500 where: short stacking energy: -265.052 Base-Backbone interact. energy: 0.465 local terms energy: -286.058125 where: bonds (distance) C4'-P energy: -57.185 bonds (distance) P-C4' energy: -53.110 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -36.017 tors. eta vs tors. theta energy: -77.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -804.005801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.005801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.005801 (E_RNA) where: Base-Base interactions energy: -525.083 where: short stacking energy: -235.522 Base-Backbone interact. energy: -1.037 local terms energy: -277.885812 where: bonds (distance) C4'-P energy: -52.085 bonds (distance) P-C4' energy: -49.231 flat angles C4'-P-C4' energy: -64.171 flat angles P-C4'-P energy: -46.275 tors. eta vs tors. theta energy: -66.123 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: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -695.620575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.620575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.620575 (E_RNA) where: Base-Base interactions energy: -452.471 where: short stacking energy: -203.008 Base-Backbone interact. energy: -0.231 local terms energy: -242.918698 where: bonds (distance) C4'-P energy: -43.414 bonds (distance) P-C4' energy: -52.745 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: -47.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -492.055883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.055883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.055883 (E_RNA) where: Base-Base interactions energy: -273.717 where: short stacking energy: -139.265 Base-Backbone interact. energy: -0.950 local terms energy: -217.388036 where: bonds (distance) C4'-P energy: -49.301 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -47.810 flat angles P-C4'-P energy: -32.539 tors. eta vs tors. theta energy: -29.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -475.719037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.719037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.719037 (E_RNA) where: Base-Base interactions energy: -271.053 where: short stacking energy: -131.769 Base-Backbone interact. energy: 4.832 local terms energy: -209.498562 where: bonds (distance) C4'-P energy: -62.452 bonds (distance) P-C4' energy: -58.115 flat angles C4'-P-C4' energy: -49.591 flat angles P-C4'-P energy: -27.318 tors. eta vs tors. theta energy: -12.023 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: 234 Temperature: 1.350000 Total energy: -330.137688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.137688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.137688 (E_RNA) where: Base-Base interactions energy: -159.056 where: short stacking energy: -97.330 Base-Backbone interact. energy: -1.119 local terms energy: -169.962682 where: bonds (distance) C4'-P energy: -54.908 bonds (distance) P-C4' energy: -41.705 flat angles C4'-P-C4' energy: -53.457 flat angles P-C4'-P energy: -22.452 tors. eta vs tors. theta energy: 2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1045.078373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.078373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.078373 (E_RNA) where: Base-Base interactions energy: -717.716 where: short stacking energy: -329.853 Base-Backbone interact. energy: -2.485 local terms energy: -324.877829 where: bonds (distance) C4'-P energy: -58.858 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -56.477 flat angles P-C4'-P energy: -45.514 tors. eta vs tors. theta energy: -97.278 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: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1002.454972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.454972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.454972 (E_RNA) where: Base-Base interactions energy: -697.835 where: short stacking energy: -288.038 Base-Backbone interact. energy: -0.692 local terms energy: -303.928642 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -41.288 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -37.953 tors. eta vs tors. theta energy: -85.033 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: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -979.115872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.115872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.115872 (E_RNA) where: Base-Base interactions energy: -688.918 where: short stacking energy: -287.931 Base-Backbone interact. energy: -0.335 local terms energy: -289.862574 where: bonds (distance) C4'-P energy: -54.517 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -58.087 flat angles P-C4'-P energy: -40.268 tors. eta vs tors. theta energy: -77.787 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: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -923.462114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.462114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.462114 (E_RNA) where: Base-Base interactions energy: -633.948 where: short stacking energy: -255.018 Base-Backbone interact. energy: -1.867 local terms energy: -287.646950 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -52.464 flat angles C4'-P-C4' energy: -60.262 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -75.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -866.810581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.810581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.810581 (E_RNA) where: Base-Base interactions energy: -593.455 where: short stacking energy: -262.360 Base-Backbone interact. energy: -0.890 local terms energy: -272.465792 where: bonds (distance) C4'-P energy: -50.787 bonds (distance) P-C4' energy: -52.274 flat angles C4'-P-C4' energy: -56.646 flat angles P-C4'-P energy: -37.492 tors. eta vs tors. theta energy: -75.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -785.591953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.591953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.591953 (E_RNA) where: Base-Base interactions energy: -520.573 where: short stacking energy: -229.098 Base-Backbone interact. energy: -0.310 local terms energy: -264.709181 where: bonds (distance) C4'-P energy: -48.525 bonds (distance) P-C4' energy: -58.404 flat angles C4'-P-C4' energy: -60.704 flat angles P-C4'-P energy: -29.933 tors. eta vs tors. theta energy: -67.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -671.900572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.900572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.900572 (E_RNA) where: Base-Base interactions energy: -448.073 where: short stacking energy: -202.368 Base-Backbone interact. energy: -1.193 local terms energy: -222.634653 where: bonds (distance) C4'-P energy: -38.709 bonds (distance) P-C4' energy: -45.206 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -35.742 tors. eta vs tors. theta energy: -47.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -477.117495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.117495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.117495 (E_RNA) where: Base-Base interactions energy: -266.031 where: short stacking energy: -137.557 Base-Backbone interact. energy: -0.861 local terms energy: -210.225558 where: bonds (distance) C4'-P energy: -54.873 bonds (distance) P-C4' energy: -45.914 flat angles C4'-P-C4' energy: -53.026 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: -24.260 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -502.035703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.035703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.035703 (E_RNA) where: Base-Base interactions energy: -280.607 where: short stacking energy: -139.385 Base-Backbone interact. energy: -2.902 local terms energy: -218.526312 where: bonds (distance) C4'-P energy: -52.679 bonds (distance) P-C4' energy: -41.546 flat angles C4'-P-C4' energy: -51.437 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -32.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -358.181248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.181248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.181248 (E_RNA) where: Base-Base interactions energy: -190.031 where: short stacking energy: -119.468 Base-Backbone interact. energy: 1.391 local terms energy: -169.541618 where: bonds (distance) C4'-P energy: -33.040 bonds (distance) P-C4' energy: -49.894 flat angles C4'-P-C4' energy: -39.364 flat angles P-C4'-P energy: -35.292 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1017.617715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.617715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.617715 (E_RNA) where: Base-Base interactions energy: -707.248 where: short stacking energy: -294.982 Base-Backbone interact. energy: 1.291 local terms energy: -311.660256 where: bonds (distance) C4'-P energy: -51.565 bonds (distance) P-C4' energy: -59.454 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -51.055 tors. eta vs tors. theta energy: -78.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1019.349781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.349781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.349781 (E_RNA) where: Base-Base interactions energy: -698.237 where: short stacking energy: -306.359 Base-Backbone interact. energy: -1.459 local terms energy: -319.653374 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -52.051 flat angles C4'-P-C4' energy: -62.791 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -90.547 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: 236 Temperature: 1.000000 Total energy: -962.873596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.873596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.873596 (E_RNA) where: Base-Base interactions energy: -675.184 where: short stacking energy: -282.818 Base-Backbone interact. energy: -1.173 local terms energy: -286.516998 where: bonds (distance) C4'-P energy: -52.478 bonds (distance) P-C4' energy: -50.570 flat angles C4'-P-C4' energy: -63.268 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -80.961 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: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -935.691772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.691772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.691772 (E_RNA) where: Base-Base interactions energy: -647.575 where: short stacking energy: -280.647 Base-Backbone interact. energy: -2.143 local terms energy: -285.974241 where: bonds (distance) C4'-P energy: -38.084 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -64.125 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -79.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -888.615972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.615972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.615972 (E_RNA) where: Base-Base interactions energy: -630.514 where: short stacking energy: -262.228 Base-Backbone interact. energy: -2.153 local terms energy: -255.948569 where: bonds (distance) C4'-P energy: -42.583 bonds (distance) P-C4' energy: -53.538 flat angles C4'-P-C4' energy: -57.096 flat angles P-C4'-P energy: -30.394 tors. eta vs tors. theta energy: -72.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -831.638669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.638669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.638669 (E_RNA) where: Base-Base interactions energy: -568.900 where: short stacking energy: -241.000 Base-Backbone interact. energy: -0.602 local terms energy: -262.136646 where: bonds (distance) C4'-P energy: -46.173 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -53.868 flat angles P-C4'-P energy: -31.863 tors. eta vs tors. theta energy: -68.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -703.892990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.892990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.892990 (E_RNA) where: Base-Base interactions energy: -448.014 where: short stacking energy: -206.020 Base-Backbone interact. energy: -0.479 local terms energy: -255.399786 where: bonds (distance) C4'-P energy: -56.346 bonds (distance) P-C4' energy: -43.940 flat angles C4'-P-C4' energy: -61.534 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -52.898 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: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -490.242399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.242399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.242399 (E_RNA) where: Base-Base interactions energy: -282.587 where: short stacking energy: -128.758 Base-Backbone interact. energy: -0.946 local terms energy: -206.708633 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -46.755 flat angles C4'-P-C4' energy: -54.149 flat angles P-C4'-P energy: -36.939 tors. eta vs tors. theta energy: -15.677 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: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -469.225303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.225303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.225303 (E_RNA) where: Base-Base interactions energy: -279.108 where: short stacking energy: -144.426 Base-Backbone interact. energy: -1.233 local terms energy: -188.884401 where: bonds (distance) C4'-P energy: -47.127 bonds (distance) P-C4' energy: -47.626 flat angles C4'-P-C4' energy: -47.710 flat angles P-C4'-P energy: -26.916 tors. eta vs tors. theta energy: -19.505 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: 236 Temperature: 1.350000 Total energy: -393.148925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.148925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.148925 (E_RNA) where: Base-Base interactions energy: -207.013 where: short stacking energy: -115.396 Base-Backbone interact. energy: -0.158 local terms energy: -185.977994 where: bonds (distance) C4'-P energy: -37.361 bonds (distance) P-C4' energy: -51.575 flat angles C4'-P-C4' energy: -53.058 flat angles P-C4'-P energy: -30.667 tors. eta vs tors. theta energy: -13.318 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: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1032.301251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.301251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.301251 (E_RNA) where: Base-Base interactions energy: -702.699 where: short stacking energy: -310.786 Base-Backbone interact. energy: -0.253 local terms energy: -329.348950 where: bonds (distance) C4'-P energy: -62.170 bonds (distance) P-C4' energy: -61.030 flat angles C4'-P-C4' energy: -67.669 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -92.877 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: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -981.065839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.065839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.065839 (E_RNA) where: Base-Base interactions energy: -685.781 where: short stacking energy: -283.709 Base-Backbone interact. energy: 0.126 local terms energy: -295.410516 where: bonds (distance) C4'-P energy: -59.737 bonds (distance) P-C4' energy: -51.516 flat angles C4'-P-C4' energy: -66.135 flat angles P-C4'-P energy: -39.489 tors. eta vs tors. theta energy: -78.533 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: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1001.826231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.826231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.826231 (E_RNA) where: Base-Base interactions energy: -680.871 where: short stacking energy: -307.740 Base-Backbone interact. energy: -0.677 local terms energy: -320.278193 where: bonds (distance) C4'-P energy: -45.089 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -67.421 flat angles P-C4'-P energy: -51.012 tors. eta vs tors. theta energy: -93.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -937.770296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.770296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.770296 (E_RNA) where: Base-Base interactions energy: -647.901 where: short stacking energy: -277.345 Base-Backbone interact. energy: -0.408 local terms energy: -289.461278 where: bonds (distance) C4'-P energy: -53.934 bonds (distance) P-C4' energy: -57.356 flat angles C4'-P-C4' energy: -57.126 flat angles P-C4'-P energy: -37.993 tors. eta vs tors. theta energy: -83.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -842.690283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.690283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.690283 (E_RNA) where: Base-Base interactions energy: -576.711 where: short stacking energy: -232.961 Base-Backbone interact. energy: -1.638 local terms energy: -264.341669 where: bonds (distance) C4'-P energy: -48.664 bonds (distance) P-C4' energy: -58.530 flat angles C4'-P-C4' energy: -61.727 flat angles P-C4'-P energy: -25.798 tors. eta vs tors. theta energy: -69.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -839.783796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.783796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.783796 (E_RNA) where: Base-Base interactions energy: -590.528 where: short stacking energy: -249.652 Base-Backbone interact. energy: 0.342 local terms energy: -249.597800 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -34.503 flat angles C4'-P-C4' energy: -58.023 flat angles P-C4'-P energy: -32.102 tors. eta vs tors. theta energy: -66.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -714.950083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.950083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.950083 (E_RNA) where: Base-Base interactions energy: -475.123 where: short stacking energy: -210.122 Base-Backbone interact. energy: -1.238 local terms energy: -238.589357 where: bonds (distance) C4'-P energy: -53.489 bonds (distance) P-C4' energy: -37.408 flat angles C4'-P-C4' energy: -55.931 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -55.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -489.797641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.797641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.797641 (E_RNA) where: Base-Base interactions energy: -294.956 where: short stacking energy: -139.268 Base-Backbone interact. energy: 2.929 local terms energy: -197.771385 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -41.544 flat angles P-C4'-P energy: -30.153 tors. eta vs tors. theta energy: -12.479 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: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -451.156495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.156495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.156495 (E_RNA) where: Base-Base interactions energy: -275.532 where: short stacking energy: -143.435 Base-Backbone interact. energy: 0.099 local terms energy: -175.723026 where: bonds (distance) C4'-P energy: -48.809 bonds (distance) P-C4' energy: -44.276 flat angles C4'-P-C4' energy: -37.823 flat angles P-C4'-P energy: -20.485 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: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -392.383197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.383197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.383197 (E_RNA) where: Base-Base interactions energy: -198.064 where: short stacking energy: -117.558 Base-Backbone interact. energy: 0.840 local terms energy: -195.159661 where: bonds (distance) C4'-P energy: -48.173 bonds (distance) P-C4' energy: -54.209 flat angles C4'-P-C4' energy: -40.175 flat angles P-C4'-P energy: -32.107 tors. eta vs tors. theta energy: -20.496 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: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1038.039045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.039045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.039045 (E_RNA) where: Base-Base interactions energy: -721.886 where: short stacking energy: -317.854 Base-Backbone interact. energy: -1.426 local terms energy: -314.727051 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -57.212 flat angles C4'-P-C4' energy: -54.642 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: -92.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -975.162656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.162656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.162656 (E_RNA) where: Base-Base interactions energy: -689.766 where: short stacking energy: -287.745 Base-Backbone interact. energy: -1.449 local terms energy: -283.948134 where: bonds (distance) C4'-P energy: -50.780 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -59.537 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -73.014 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: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -982.377964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.377964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.377964 (E_RNA) where: Base-Base interactions energy: -670.536 where: short stacking energy: -311.109 Base-Backbone interact. energy: -2.838 local terms energy: -309.004200 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -60.534 flat angles C4'-P-C4' energy: -68.267 flat angles P-C4'-P energy: -41.747 tors. eta vs tors. theta energy: -89.820 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: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -935.657356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.657356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.657356 (E_RNA) where: Base-Base interactions energy: -640.360 where: short stacking energy: -287.013 Base-Backbone interact. energy: -2.210 local terms energy: -293.087748 where: bonds (distance) C4'-P energy: -43.657 bonds (distance) P-C4' energy: -60.214 flat angles C4'-P-C4' energy: -62.383 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: -81.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -875.893756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.893756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.893756 (E_RNA) where: Base-Base interactions energy: -603.056 where: short stacking energy: -259.454 Base-Backbone interact. energy: -1.760 local terms energy: -271.077466 where: bonds (distance) C4'-P energy: -58.482 bonds (distance) P-C4' energy: -46.165 flat angles C4'-P-C4' energy: -58.190 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: -71.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -807.880964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.880964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.880964 (E_RNA) where: Base-Base interactions energy: -563.571 where: short stacking energy: -259.236 Base-Backbone interact. energy: -0.849 local terms energy: -243.460651 where: bonds (distance) C4'-P energy: -38.761 bonds (distance) P-C4' energy: -49.325 flat angles C4'-P-C4' energy: -56.815 flat angles P-C4'-P energy: -35.493 tors. eta vs tors. theta energy: -63.067 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: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -741.025109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.025109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.025109 (E_RNA) where: Base-Base interactions energy: -471.852 where: short stacking energy: -210.979 Base-Backbone interact. energy: -1.289 local terms energy: -267.883692 where: bonds (distance) C4'-P energy: -64.077 bonds (distance) P-C4' energy: -52.870 flat angles C4'-P-C4' energy: -50.641 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: -55.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -457.815619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.815619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.815619 (E_RNA) where: Base-Base interactions energy: -265.538 where: short stacking energy: -123.170 Base-Backbone interact. energy: -1.469 local terms energy: -190.808585 where: bonds (distance) C4'-P energy: -51.322 bonds (distance) P-C4' energy: -52.553 flat angles C4'-P-C4' energy: -44.054 flat angles P-C4'-P energy: -31.067 tors. eta vs tors. theta energy: -11.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -387.089908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.089908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.089908 (E_RNA) where: Base-Base interactions energy: -203.805 where: short stacking energy: -122.499 Base-Backbone interact. energy: 1.559 local terms energy: -184.844177 where: bonds (distance) C4'-P energy: -57.827 bonds (distance) P-C4' energy: -46.474 flat angles C4'-P-C4' energy: -33.651 flat angles P-C4'-P energy: -31.860 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -382.743682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.743682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.743682 (E_RNA) where: Base-Base interactions energy: -212.595 where: short stacking energy: -117.110 Base-Backbone interact. energy: 0.155 local terms energy: -170.303398 where: bonds (distance) C4'-P energy: -32.151 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -56.283 flat angles P-C4'-P energy: -18.615 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1023.063437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.063437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.063437 (E_RNA) where: Base-Base interactions energy: -719.577 where: short stacking energy: -309.015 Base-Backbone interact. energy: -0.583 local terms energy: -302.904014 where: bonds (distance) C4'-P energy: -49.510 bonds (distance) P-C4' energy: -53.138 flat angles C4'-P-C4' energy: -70.175 flat angles P-C4'-P energy: -44.073 tors. eta vs tors. theta energy: -86.008 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: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1013.474359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.474359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.474359 (E_RNA) where: Base-Base interactions energy: -719.605 where: short stacking energy: -304.780 Base-Backbone interact. energy: -2.264 local terms energy: -291.604938 where: bonds (distance) C4'-P energy: -53.782 bonds (distance) P-C4' energy: -49.008 flat angles C4'-P-C4' energy: -64.986 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -75.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -993.564789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.564789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.564789 (E_RNA) where: Base-Base interactions energy: -684.913 where: short stacking energy: -310.528 Base-Backbone interact. energy: 0.069 local terms energy: -308.720887 where: bonds (distance) C4'-P energy: -48.220 bonds (distance) P-C4' energy: -61.743 flat angles C4'-P-C4' energy: -69.855 flat angles P-C4'-P energy: -37.461 tors. eta vs tors. theta energy: -91.442 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: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -947.736373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.736373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.736373 (E_RNA) where: Base-Base interactions energy: -654.243 where: short stacking energy: -293.720 Base-Backbone interact. energy: 5.175 local terms energy: -298.667736 where: bonds (distance) C4'-P energy: -57.647 bonds (distance) P-C4' energy: -65.191 flat angles C4'-P-C4' energy: -61.856 flat angles P-C4'-P energy: -34.050 tors. eta vs tors. theta energy: -79.924 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -889.487004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.487004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.487004 (E_RNA) where: Base-Base interactions energy: -613.236 where: short stacking energy: -267.900 Base-Backbone interact. energy: -2.597 local terms energy: -273.653993 where: bonds (distance) C4'-P energy: -57.969 bonds (distance) P-C4' energy: -53.804 flat angles C4'-P-C4' energy: -57.505 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -71.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -795.760447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.760447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.760447 (E_RNA) where: Base-Base interactions energy: -555.179 where: short stacking energy: -233.756 Base-Backbone interact. energy: -1.843 local terms energy: -238.738232 where: bonds (distance) C4'-P energy: -46.612 bonds (distance) P-C4' energy: -50.629 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -28.748 tors. eta vs tors. theta energy: -55.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -709.070905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.070905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.070905 (E_RNA) where: Base-Base interactions energy: -469.487 where: short stacking energy: -216.765 Base-Backbone interact. energy: 2.317 local terms energy: -241.900635 where: bonds (distance) C4'-P energy: -46.136 bonds (distance) P-C4' energy: -52.555 flat angles C4'-P-C4' energy: -52.861 flat angles P-C4'-P energy: -31.756 tors. eta vs tors. theta energy: -58.592 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: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -420.923965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.923965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.923965 (E_RNA) where: Base-Base interactions energy: -229.169 where: short stacking energy: -136.626 Base-Backbone interact. energy: 0.099 local terms energy: -191.854673 where: bonds (distance) C4'-P energy: -44.858 bonds (distance) P-C4' energy: -52.318 flat angles C4'-P-C4' energy: -43.695 flat angles P-C4'-P energy: -33.576 tors. eta vs tors. theta energy: -17.407 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: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -488.164802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.164802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.164802 (E_RNA) where: Base-Base interactions energy: -288.131 where: short stacking energy: -118.643 Base-Backbone interact. energy: -1.211 local terms energy: -198.822561 where: bonds (distance) C4'-P energy: -39.354 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -47.697 flat angles P-C4'-P energy: -35.860 tors. eta vs tors. theta energy: -17.059 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: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -410.882932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.882932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.882932 (E_RNA) where: Base-Base interactions energy: -242.104 where: short stacking energy: -131.182 Base-Backbone interact. energy: -0.668 local terms energy: -168.110816 where: bonds (distance) C4'-P energy: -51.048 bonds (distance) P-C4' energy: -46.901 flat angles C4'-P-C4' energy: -49.966 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1030.953644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.953644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.953644 (E_RNA) where: Base-Base interactions energy: -684.376 where: short stacking energy: -296.247 Base-Backbone interact. energy: -1.636 local terms energy: -344.941708 where: bonds (distance) C4'-P energy: -65.660 bonds (distance) P-C4' energy: -65.836 flat angles C4'-P-C4' energy: -66.837 flat angles P-C4'-P energy: -52.899 tors. eta vs tors. theta energy: -93.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -987.561933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.561933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.561933 (E_RNA) where: Base-Base interactions energy: -697.811 where: short stacking energy: -269.360 Base-Backbone interact. energy: -1.648 local terms energy: -288.102774 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -55.221 flat angles C4'-P-C4' energy: -53.609 flat angles P-C4'-P energy: -44.529 tors. eta vs tors. theta energy: -75.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -983.906233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.906233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.906233 (E_RNA) where: Base-Base interactions energy: -668.597 where: short stacking energy: -304.315 Base-Backbone interact. energy: -0.980 local terms energy: -314.329529 where: bonds (distance) C4'-P energy: -47.498 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -72.281 flat angles P-C4'-P energy: -44.273 tors. eta vs tors. theta energy: -94.421 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: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -993.306334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.306334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.306334 (E_RNA) where: Base-Base interactions energy: -677.159 where: short stacking energy: -292.788 Base-Backbone interact. energy: -0.466 local terms energy: -315.681308 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -67.538 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -89.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -844.888407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.888407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.888407 (E_RNA) where: Base-Base interactions energy: -587.351 where: short stacking energy: -231.617 Base-Backbone interact. energy: -1.507 local terms energy: -256.030557 where: bonds (distance) C4'-P energy: -52.233 bonds (distance) P-C4' energy: -51.766 flat angles C4'-P-C4' energy: -53.243 flat angles P-C4'-P energy: -33.697 tors. eta vs tors. theta energy: -65.091 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: 240 Temperature: 1.150000 Total energy: -856.409017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.409017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.409017 (E_RNA) where: Base-Base interactions energy: -590.394 where: short stacking energy: -245.603 Base-Backbone interact. energy: -0.435 local terms energy: -265.580058 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -46.958 flat angles C4'-P-C4' energy: -63.354 flat angles P-C4'-P energy: -34.061 tors. eta vs tors. theta energy: -64.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -765.825445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.825445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.825445 (E_RNA) where: Base-Base interactions energy: -481.950 where: short stacking energy: -230.519 Base-Backbone interact. energy: -0.950 local terms energy: -282.925397 where: bonds (distance) C4'-P energy: -62.476 bonds (distance) P-C4' energy: -57.236 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -41.699 tors. eta vs tors. theta energy: -56.787 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: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -466.011787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.011787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.011787 (E_RNA) where: Base-Base interactions energy: -246.285 where: short stacking energy: -135.259 Base-Backbone interact. energy: -1.030 local terms energy: -218.697160 where: bonds (distance) C4'-P energy: -55.582 bonds (distance) P-C4' energy: -57.388 flat angles C4'-P-C4' energy: -57.991 flat angles P-C4'-P energy: -23.645 tors. eta vs tors. theta energy: -24.092 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: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -534.434104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.434104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.434104 (E_RNA) where: Base-Base interactions energy: -324.506 where: short stacking energy: -161.889 Base-Backbone interact. energy: -0.593 local terms energy: -209.335127 where: bonds (distance) C4'-P energy: -48.082 bonds (distance) P-C4' energy: -52.949 flat angles C4'-P-C4' energy: -51.252 flat angles P-C4'-P energy: -31.527 tors. eta vs tors. theta energy: -25.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -458.085525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.085525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.085525 (E_RNA) where: Base-Base interactions energy: -272.991 where: short stacking energy: -143.475 Base-Backbone interact. energy: -0.406 local terms energy: -184.688944 where: bonds (distance) C4'-P energy: -37.028 bonds (distance) P-C4' energy: -55.860 flat angles C4'-P-C4' energy: -42.772 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: -9.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1024.753165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.753165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.753165 (E_RNA) where: Base-Base interactions energy: -697.192 where: short stacking energy: -311.764 Base-Backbone interact. energy: -0.467 local terms energy: -327.093981 where: bonds (distance) C4'-P energy: -68.659 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -65.251 flat angles P-C4'-P energy: -41.936 tors. eta vs tors. theta energy: -91.629 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: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -990.272283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.272283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.272283 (E_RNA) where: Base-Base interactions energy: -676.358 where: short stacking energy: -280.657 Base-Backbone interact. energy: 1.433 local terms energy: -315.346648 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -64.334 flat angles C4'-P-C4' energy: -61.904 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: -81.982 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: 241 Temperature: 1.000000 Total energy: -982.411836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.411836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.411836 (E_RNA) where: Base-Base interactions energy: -681.947 where: short stacking energy: -290.209 Base-Backbone interact. energy: 1.387 local terms energy: -301.851991 where: bonds (distance) C4'-P energy: -56.774 bonds (distance) P-C4' energy: -55.870 flat angles C4'-P-C4' energy: -61.639 flat angles P-C4'-P energy: -43.397 tors. eta vs tors. theta energy: -84.173 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: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -991.290080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.290080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.290080 (E_RNA) where: Base-Base interactions energy: -680.298 where: short stacking energy: -298.413 Base-Backbone interact. energy: 0.291 local terms energy: -311.282756 where: bonds (distance) C4'-P energy: -59.710 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -60.375 flat angles P-C4'-P energy: -43.296 tors. eta vs tors. theta energy: -86.986 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: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -856.262673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.262673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.262673 (E_RNA) where: Base-Base interactions energy: -605.129 where: short stacking energy: -257.741 Base-Backbone interact. energy: -0.931 local terms energy: -250.202810 where: bonds (distance) C4'-P energy: -41.288 bonds (distance) P-C4' energy: -55.263 flat angles C4'-P-C4' energy: -52.866 flat angles P-C4'-P energy: -31.208 tors. eta vs tors. theta energy: -69.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -819.115332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.115332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.115332 (E_RNA) where: Base-Base interactions energy: -581.489 where: short stacking energy: -256.147 Base-Backbone interact. energy: -1.145 local terms energy: -236.481539 where: bonds (distance) C4'-P energy: -40.991 bonds (distance) P-C4' energy: -39.032 flat angles C4'-P-C4' energy: -64.677 flat angles P-C4'-P energy: -31.557 tors. eta vs tors. theta energy: -60.225 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: 5 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -715.462023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.462023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.462023 (E_RNA) where: Base-Base interactions energy: -465.643 where: short stacking energy: -216.464 Base-Backbone interact. energy: -0.479 local terms energy: -249.339975 where: bonds (distance) C4'-P energy: -43.247 bonds (distance) P-C4' energy: -42.566 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -42.092 tors. eta vs tors. theta energy: -62.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -574.323182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.323182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.323182 (E_RNA) where: Base-Base interactions energy: -356.745 where: short stacking energy: -189.245 Base-Backbone interact. energy: -0.734 local terms energy: -216.844004 where: bonds (distance) C4'-P energy: -31.579 bonds (distance) P-C4' energy: -51.378 flat angles C4'-P-C4' energy: -51.151 flat angles P-C4'-P energy: -36.676 tors. eta vs tors. theta energy: -46.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -427.868602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.868602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.868602 (E_RNA) where: Base-Base interactions energy: -250.559 where: short stacking energy: -137.648 Base-Backbone interact. energy: -1.487 local terms energy: -175.822266 where: bonds (distance) C4'-P energy: -44.264 bonds (distance) P-C4' energy: -51.238 flat angles C4'-P-C4' energy: -35.125 flat angles P-C4'-P energy: -22.996 tors. eta vs tors. theta energy: -22.199 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: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -422.985999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.985999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.985999 (E_RNA) where: Base-Base interactions energy: -221.539 where: short stacking energy: -117.676 Base-Backbone interact. energy: -1.634 local terms energy: -199.813579 where: bonds (distance) C4'-P energy: -48.960 bonds (distance) P-C4' energy: -55.356 flat angles C4'-P-C4' energy: -49.419 flat angles P-C4'-P energy: -20.222 tors. eta vs tors. theta energy: -25.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1028.132134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.132134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.132134 (E_RNA) where: Base-Base interactions energy: -707.402 where: short stacking energy: -298.952 Base-Backbone interact. energy: -1.898 local terms energy: -318.831722 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -56.023 flat angles C4'-P-C4' energy: -71.127 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -88.040 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: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1003.722456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.722456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.722456 (E_RNA) where: Base-Base interactions energy: -689.066 where: short stacking energy: -284.574 Base-Backbone interact. energy: -0.871 local terms energy: -313.786151 where: bonds (distance) C4'-P energy: -60.495 bonds (distance) P-C4' energy: -50.218 flat angles C4'-P-C4' energy: -63.122 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -88.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -969.139427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.139427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.139427 (E_RNA) where: Base-Base interactions energy: -688.609 where: short stacking energy: -309.323 Base-Backbone interact. energy: -1.128 local terms energy: -279.402349 where: bonds (distance) C4'-P energy: -52.286 bonds (distance) P-C4' energy: -50.421 flat angles C4'-P-C4' energy: -61.266 flat angles P-C4'-P energy: -32.226 tors. eta vs tors. theta energy: -83.204 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: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -996.383673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.383673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.383673 (E_RNA) where: Base-Base interactions energy: -690.985 where: short stacking energy: -309.071 Base-Backbone interact. energy: -1.274 local terms energy: -304.124716 where: bonds (distance) C4'-P energy: -48.493 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -63.461 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -94.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -847.134876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.134876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.134876 (E_RNA) where: Base-Base interactions energy: -587.355 where: short stacking energy: -237.877 Base-Backbone interact. energy: 0.546 local terms energy: -260.325961 where: bonds (distance) C4'-P energy: -51.908 bonds (distance) P-C4' energy: -52.926 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -34.355 tors. eta vs tors. theta energy: -62.066 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: 242 Temperature: 1.150000 Total energy: -835.140310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.140310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.140310 (E_RNA) where: Base-Base interactions energy: -570.376 where: short stacking energy: -233.895 Base-Backbone interact. energy: -0.760 local terms energy: -264.004202 where: bonds (distance) C4'-P energy: -63.035 bonds (distance) P-C4' energy: -51.837 flat angles C4'-P-C4' energy: -47.049 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -60.177 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: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -731.677504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.677504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.677504 (E_RNA) where: Base-Base interactions energy: -481.553 where: short stacking energy: -213.818 Base-Backbone interact. energy: 0.282 local terms energy: -250.406235 where: bonds (distance) C4'-P energy: -52.345 bonds (distance) P-C4' energy: -51.177 flat angles C4'-P-C4' energy: -50.157 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -60.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -563.735198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.735198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.735198 (E_RNA) where: Base-Base interactions energy: -346.213 where: short stacking energy: -172.703 Base-Backbone interact. energy: -1.194 local terms energy: -216.328210 where: bonds (distance) C4'-P energy: -50.197 bonds (distance) P-C4' energy: -46.765 flat angles C4'-P-C4' energy: -54.735 flat angles P-C4'-P energy: -31.284 tors. eta vs tors. theta energy: -33.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -418.206137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.206137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.206137 (E_RNA) where: Base-Base interactions energy: -243.011 where: short stacking energy: -123.284 Base-Backbone interact. energy: 0.555 local terms energy: -175.750563 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -49.052 flat angles C4'-P-C4' energy: -42.487 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -5.746 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: 10, replica: 9 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -413.579688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.579688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.579688 (E_RNA) where: Base-Base interactions energy: -237.569 where: short stacking energy: -121.929 Base-Backbone interact. energy: -1.140 local terms energy: -174.871516 where: bonds (distance) C4'-P energy: -41.491 bonds (distance) P-C4' energy: -54.380 flat angles C4'-P-C4' energy: -43.153 flat angles P-C4'-P energy: -27.671 tors. eta vs tors. theta energy: -8.176 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: 243 Temperature: 0.900000 Total energy: -1030.443079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.443079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.443079 (E_RNA) where: Base-Base interactions energy: -729.142 where: short stacking energy: -315.944 Base-Backbone interact. energy: 6.932 local terms energy: -308.233383 where: bonds (distance) C4'-P energy: -55.330 bonds (distance) P-C4' energy: -58.056 flat angles C4'-P-C4' energy: -60.337 flat angles P-C4'-P energy: -42.379 tors. eta vs tors. theta energy: -92.130 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: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -984.562954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.562954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.562954 (E_RNA) where: Base-Base interactions energy: -689.601 where: short stacking energy: -288.419 Base-Backbone interact. energy: -0.758 local terms energy: -294.204330 where: bonds (distance) C4'-P energy: -46.471 bonds (distance) P-C4' energy: -61.941 flat angles C4'-P-C4' energy: -65.516 flat angles P-C4'-P energy: -35.740 tors. eta vs tors. theta energy: -84.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -967.776562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.776562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.776562 (E_RNA) where: Base-Base interactions energy: -660.558 where: short stacking energy: -280.454 Base-Backbone interact. energy: -0.719 local terms energy: -306.499499 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -52.639 flat angles C4'-P-C4' energy: -63.183 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -85.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -946.261925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.261925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.261925 (E_RNA) where: Base-Base interactions energy: -642.718 where: short stacking energy: -289.321 Base-Backbone interact. energy: -0.390 local terms energy: -303.154228 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -53.660 flat angles C4'-P-C4' energy: -62.311 flat angles P-C4'-P energy: -40.609 tors. eta vs tors. theta energy: -91.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -856.470801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.470801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.470801 (E_RNA) where: Base-Base interactions energy: -586.595 where: short stacking energy: -250.832 Base-Backbone interact. energy: -1.957 local terms energy: -267.918759 where: bonds (distance) C4'-P energy: -49.347 bonds (distance) P-C4' energy: -50.219 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -39.380 tors. eta vs tors. theta energy: -65.363 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: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -766.390904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.390904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.390904 (E_RNA) where: Base-Base interactions energy: -496.514 where: short stacking energy: -240.053 Base-Backbone interact. energy: -0.568 local terms energy: -269.308754 where: bonds (distance) C4'-P energy: -50.417 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -57.112 flat angles P-C4'-P energy: -34.108 tors. eta vs tors. theta energy: -69.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -780.409862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.409862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.409862 (E_RNA) where: Base-Base interactions energy: -538.534 where: short stacking energy: -213.760 Base-Backbone interact. energy: 1.841 local terms energy: -243.716662 where: bonds (distance) C4'-P energy: -49.254 bonds (distance) P-C4' energy: -55.114 flat angles C4'-P-C4' energy: -47.949 flat angles P-C4'-P energy: -33.532 tors. eta vs tors. theta energy: -57.868 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: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -538.787690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.787690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.787690 (E_RNA) where: Base-Base interactions energy: -337.009 where: short stacking energy: -175.117 Base-Backbone interact. energy: 0.094 local terms energy: -201.873104 where: bonds (distance) C4'-P energy: -40.399 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -57.008 flat angles P-C4'-P energy: -22.561 tors. eta vs tors. theta energy: -28.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -445.234623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.234623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.234623 (E_RNA) where: Base-Base interactions energy: -270.875 where: short stacking energy: -125.234 Base-Backbone interact. energy: -1.155 local terms energy: -173.204729 where: bonds (distance) C4'-P energy: -46.052 bonds (distance) P-C4' energy: -44.394 flat angles C4'-P-C4' energy: -45.075 flat angles P-C4'-P energy: -26.114 tors. eta vs tors. theta energy: -11.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -409.679859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.679859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.679859 (E_RNA) where: Base-Base interactions energy: -226.388 where: short stacking energy: -127.900 Base-Backbone interact. energy: -1.058 local terms energy: -182.233592 where: bonds (distance) C4'-P energy: -38.424 bonds (distance) P-C4' energy: -43.985 flat angles C4'-P-C4' energy: -54.723 flat angles P-C4'-P energy: -27.601 tors. eta vs tors. theta energy: -17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1009.766551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.766551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.766551 (E_RNA) where: Base-Base interactions energy: -692.492 where: short stacking energy: -311.092 Base-Backbone interact. energy: -2.723 local terms energy: -314.551740 where: bonds (distance) C4'-P energy: -58.675 bonds (distance) P-C4' energy: -64.954 flat angles C4'-P-C4' energy: -62.711 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -83.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -989.838189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.838189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.838189 (E_RNA) where: Base-Base interactions energy: -685.254 where: short stacking energy: -286.145 Base-Backbone interact. energy: -1.422 local terms energy: -303.161922 where: bonds (distance) C4'-P energy: -45.517 bonds (distance) P-C4' energy: -60.174 flat angles C4'-P-C4' energy: -62.616 flat angles P-C4'-P energy: -49.085 tors. eta vs tors. theta energy: -85.769 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: 4 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -977.317528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.317528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.317528 (E_RNA) where: Base-Base interactions energy: -691.096 where: short stacking energy: -293.724 Base-Backbone interact. energy: -0.670 local terms energy: -285.551421 where: bonds (distance) C4'-P energy: -54.681 bonds (distance) P-C4' energy: -42.722 flat angles C4'-P-C4' energy: -54.489 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -87.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -978.457488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.457488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.457488 (E_RNA) where: Base-Base interactions energy: -674.146 where: short stacking energy: -290.001 Base-Backbone interact. energy: 0.303 local terms energy: -304.613922 where: bonds (distance) C4'-P energy: -51.258 bonds (distance) P-C4' energy: -58.637 flat angles C4'-P-C4' energy: -59.678 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -88.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -829.777696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.777696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.777696 (E_RNA) where: Base-Base interactions energy: -559.701 where: short stacking energy: -233.916 Base-Backbone interact. energy: -0.969 local terms energy: -269.107939 where: bonds (distance) C4'-P energy: -46.543 bonds (distance) P-C4' energy: -57.128 flat angles C4'-P-C4' energy: -56.449 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -65.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -735.992611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.992611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.992611 (E_RNA) where: Base-Base interactions energy: -488.138 where: short stacking energy: -225.651 Base-Backbone interact. energy: -0.901 local terms energy: -246.953674 where: bonds (distance) C4'-P energy: -50.401 bonds (distance) P-C4' energy: -52.978 flat angles C4'-P-C4' energy: -58.260 flat angles P-C4'-P energy: -28.616 tors. eta vs tors. theta energy: -56.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -793.066923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.066923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.066923 (E_RNA) where: Base-Base interactions energy: -542.835 where: short stacking energy: -235.080 Base-Backbone interact. energy: -1.839 local terms energy: -248.393121 where: bonds (distance) C4'-P energy: -51.288 bonds (distance) P-C4' energy: -52.329 flat angles C4'-P-C4' energy: -49.300 flat angles P-C4'-P energy: -33.075 tors. eta vs tors. theta energy: -62.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -564.167989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.167989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.167989 (E_RNA) where: Base-Base interactions energy: -356.114 where: short stacking energy: -157.871 Base-Backbone interact. energy: -1.044 local terms energy: -207.009960 where: bonds (distance) C4'-P energy: -53.695 bonds (distance) P-C4' energy: -50.869 flat angles C4'-P-C4' energy: -45.005 flat angles P-C4'-P energy: -31.372 tors. eta vs tors. theta energy: -26.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -389.515097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.515097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.515097 (E_RNA) where: Base-Base interactions energy: -189.868 where: short stacking energy: -109.371 Base-Backbone interact. energy: -0.065 local terms energy: -199.582011 where: bonds (distance) C4'-P energy: -50.559 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -48.436 flat angles P-C4'-P energy: -31.984 tors. eta vs tors. theta energy: -14.761 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: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -340.678078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.678078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.678078 (E_RNA) where: Base-Base interactions energy: -167.184 where: short stacking energy: -111.861 Base-Backbone interact. energy: -0.359 local terms energy: -173.135076 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -48.844 flat angles C4'-P-C4' energy: -48.114 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -11.255 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: 1, replica: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1030.607160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.607160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.607160 (E_RNA) where: Base-Base interactions energy: -712.224 where: short stacking energy: -314.752 Base-Backbone interact. energy: 0.064 local terms energy: -318.447325 where: bonds (distance) C4'-P energy: -48.263 bonds (distance) P-C4' energy: -62.111 flat angles C4'-P-C4' energy: -68.367 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: -90.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -984.919438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.919438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.919438 (E_RNA) where: Base-Base interactions energy: -696.012 where: short stacking energy: -290.796 Base-Backbone interact. energy: -1.322 local terms energy: -287.585454 where: bonds (distance) C4'-P energy: -57.715 bonds (distance) P-C4' energy: -51.856 flat angles C4'-P-C4' energy: -64.957 flat angles P-C4'-P energy: -28.522 tors. eta vs tors. theta energy: -84.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -961.158358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.158358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.158358 (E_RNA) where: Base-Base interactions energy: -673.224 where: short stacking energy: -286.354 Base-Backbone interact. energy: -0.770 local terms energy: -287.164806 where: bonds (distance) C4'-P energy: -50.989 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -31.277 tors. eta vs tors. theta energy: -83.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -983.388745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.388745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.388745 (E_RNA) where: Base-Base interactions energy: -682.534 where: short stacking energy: -286.114 Base-Backbone interact. energy: 0.914 local terms energy: -301.768852 where: bonds (distance) C4'-P energy: -56.218 bonds (distance) P-C4' energy: -52.367 flat angles C4'-P-C4' energy: -69.437 flat angles P-C4'-P energy: -32.958 tors. eta vs tors. theta energy: -90.789 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: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -904.810350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.810350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.810350 (E_RNA) where: Base-Base interactions energy: -622.812 where: short stacking energy: -280.576 Base-Backbone interact. energy: -0.893 local terms energy: -281.105095 where: bonds (distance) C4'-P energy: -34.389 bonds (distance) P-C4' energy: -50.567 flat angles C4'-P-C4' energy: -64.573 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -83.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -801.069969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.069969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.069969 (E_RNA) where: Base-Base interactions energy: -532.954 where: short stacking energy: -225.669 Base-Backbone interact. energy: 3.814 local terms energy: -271.930579 where: bonds (distance) C4'-P energy: -54.008 bonds (distance) P-C4' energy: -71.277 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -27.234 tors. eta vs tors. theta energy: -64.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -688.431093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.431093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.431093 (E_RNA) where: Base-Base interactions energy: -450.956 where: short stacking energy: -203.021 Base-Backbone interact. energy: -1.588 local terms energy: -235.887224 where: bonds (distance) C4'-P energy: -49.606 bonds (distance) P-C4' energy: -44.890 flat angles C4'-P-C4' energy: -56.774 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -47.051 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: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -559.678464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.678464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.678464 (E_RNA) where: Base-Base interactions energy: -344.863 where: short stacking energy: -161.883 Base-Backbone interact. energy: -0.211 local terms energy: -214.604364 where: bonds (distance) C4'-P energy: -54.775 bonds (distance) P-C4' energy: -45.510 flat angles C4'-P-C4' energy: -55.255 flat angles P-C4'-P energy: -25.522 tors. eta vs tors. theta energy: -33.544 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: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -395.469949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.469949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.469949 (E_RNA) where: Base-Base interactions energy: -195.740 where: short stacking energy: -120.786 Base-Backbone interact. energy: -3.023 local terms energy: -196.706648 where: bonds (distance) C4'-P energy: -50.709 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -50.252 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -398.027952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.027952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.027952 (E_RNA) where: Base-Base interactions energy: -234.469 where: short stacking energy: -137.818 Base-Backbone interact. energy: 1.258 local terms energy: -164.817426 where: bonds (distance) C4'-P energy: -39.887 bonds (distance) P-C4' energy: -32.024 flat angles C4'-P-C4' energy: -46.790 flat angles P-C4'-P energy: -33.988 tors. eta vs tors. theta energy: -12.128 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: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1030.131505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.131505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.131505 (E_RNA) where: Base-Base interactions energy: -719.273 where: short stacking energy: -298.880 Base-Backbone interact. energy: -0.918 local terms energy: -309.940263 where: bonds (distance) C4'-P energy: -63.017 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -53.214 flat angles P-C4'-P energy: -49.990 tors. eta vs tors. theta energy: -83.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1004.504003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.504003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.504003 (E_RNA) where: Base-Base interactions energy: -689.258 where: short stacking energy: -292.309 Base-Backbone interact. energy: -0.164 local terms energy: -315.081625 where: bonds (distance) C4'-P energy: -57.642 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -61.134 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -83.877 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: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -987.942553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.942553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.942553 (E_RNA) where: Base-Base interactions energy: -692.983 where: short stacking energy: -296.216 Base-Backbone interact. energy: -0.147 local terms energy: -294.813241 where: bonds (distance) C4'-P energy: -44.769 bonds (distance) P-C4' energy: -57.924 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -87.357 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: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -918.114829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.114829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.114829 (E_RNA) where: Base-Base interactions energy: -648.500 where: short stacking energy: -275.105 Base-Backbone interact. energy: 0.655 local terms energy: -270.270162 where: bonds (distance) C4'-P energy: -53.995 bonds (distance) P-C4' energy: -53.092 flat angles C4'-P-C4' energy: -57.359 flat angles P-C4'-P energy: -32.352 tors. eta vs tors. theta energy: -73.472 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: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -874.085095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.085095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.085095 (E_RNA) where: Base-Base interactions energy: -600.632 where: short stacking energy: -260.169 Base-Backbone interact. energy: 2.074 local terms energy: -275.526270 where: bonds (distance) C4'-P energy: -49.925 bonds (distance) P-C4' energy: -47.170 flat angles C4'-P-C4' energy: -67.258 flat angles P-C4'-P energy: -37.130 tors. eta vs tors. theta energy: -74.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -785.356381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.356381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.356381 (E_RNA) where: Base-Base interactions energy: -526.848 where: short stacking energy: -229.718 Base-Backbone interact. energy: -0.857 local terms energy: -257.651985 where: bonds (distance) C4'-P energy: -49.328 bonds (distance) P-C4' energy: -53.138 flat angles C4'-P-C4' energy: -51.280 flat angles P-C4'-P energy: -42.396 tors. eta vs tors. theta energy: -61.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -686.230752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.230752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.230752 (E_RNA) where: Base-Base interactions energy: -441.761 where: short stacking energy: -188.819 Base-Backbone interact. energy: -0.642 local terms energy: -243.827380 where: bonds (distance) C4'-P energy: -55.799 bonds (distance) P-C4' energy: -49.050 flat angles C4'-P-C4' energy: -60.538 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: -45.597 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: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -588.310682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.310682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.310682 (E_RNA) where: Base-Base interactions energy: -374.450 where: short stacking energy: -176.921 Base-Backbone interact. energy: 2.092 local terms energy: -215.952335 where: bonds (distance) C4'-P energy: -41.648 bonds (distance) P-C4' energy: -51.718 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -19.537 tors. eta vs tors. theta energy: -39.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -407.103941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.103941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.103941 (E_RNA) where: Base-Base interactions energy: -217.323 where: short stacking energy: -126.062 Base-Backbone interact. energy: -0.399 local terms energy: -189.381584 where: bonds (distance) C4'-P energy: -38.254 bonds (distance) P-C4' energy: -55.971 flat angles C4'-P-C4' energy: -52.074 flat angles P-C4'-P energy: -29.077 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -408.782450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.782450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.782450 (E_RNA) where: Base-Base interactions energy: -223.747 where: short stacking energy: -115.003 Base-Backbone interact. energy: 5.043 local terms energy: -190.078605 where: bonds (distance) C4'-P energy: -49.936 bonds (distance) P-C4' energy: -47.909 flat angles C4'-P-C4' energy: -59.118 flat angles P-C4'-P energy: -29.201 tors. eta vs tors. theta energy: -3.915 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: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1027.267685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.267685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.267685 (E_RNA) where: Base-Base interactions energy: -712.969 where: short stacking energy: -309.957 Base-Backbone interact. energy: -0.518 local terms energy: -313.781324 where: bonds (distance) C4'-P energy: -61.279 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -66.069 flat angles P-C4'-P energy: -35.298 tors. eta vs tors. theta energy: -87.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -994.567074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.567074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.567074 (E_RNA) where: Base-Base interactions energy: -700.405 where: short stacking energy: -308.831 Base-Backbone interact. energy: -1.177 local terms energy: -292.985006 where: bonds (distance) C4'-P energy: -53.192 bonds (distance) P-C4' energy: -58.800 flat angles C4'-P-C4' energy: -58.420 flat angles P-C4'-P energy: -39.885 tors. eta vs tors. theta energy: -82.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1004.236059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.236059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.236059 (E_RNA) where: Base-Base interactions energy: -702.442 where: short stacking energy: -323.611 Base-Backbone interact. energy: -0.447 local terms energy: -301.346769 where: bonds (distance) C4'-P energy: -38.368 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -43.337 tors. eta vs tors. theta energy: -93.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -966.981810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.981810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.981810 (E_RNA) where: Base-Base interactions energy: -673.517 where: short stacking energy: -291.082 Base-Backbone interact. energy: -0.586 local terms energy: -292.879075 where: bonds (distance) C4'-P energy: -52.114 bonds (distance) P-C4' energy: -53.431 flat angles C4'-P-C4' energy: -61.533 flat angles P-C4'-P energy: -40.899 tors. eta vs tors. theta energy: -84.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -860.645128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.645128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.645128 (E_RNA) where: Base-Base interactions energy: -613.404 where: short stacking energy: -243.384 Base-Backbone interact. energy: -0.972 local terms energy: -246.269379 where: bonds (distance) C4'-P energy: -48.620 bonds (distance) P-C4' energy: -53.497 flat angles C4'-P-C4' energy: -60.858 flat angles P-C4'-P energy: -30.821 tors. eta vs tors. theta energy: -52.474 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: 247 Temperature: 1.150000 Total energy: -824.706040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.706040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.706040 (E_RNA) where: Base-Base interactions energy: -568.147 where: short stacking energy: -238.185 Base-Backbone interact. energy: 1.021 local terms energy: -257.579848 where: bonds (distance) C4'-P energy: -53.212 bonds (distance) P-C4' energy: -53.332 flat angles C4'-P-C4' energy: -49.445 flat angles P-C4'-P energy: -38.850 tors. eta vs tors. theta energy: -62.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -717.915406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.915406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.915406 (E_RNA) where: Base-Base interactions energy: -456.739 where: short stacking energy: -196.214 Base-Backbone interact. energy: -0.363 local terms energy: -260.813385 where: bonds (distance) C4'-P energy: -54.511 bonds (distance) P-C4' energy: -55.891 flat angles C4'-P-C4' energy: -57.297 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -60.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -576.578384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.578384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.578384 (E_RNA) where: Base-Base interactions energy: -374.207 where: short stacking energy: -182.449 Base-Backbone interact. energy: -1.019 local terms energy: -201.351449 where: bonds (distance) C4'-P energy: -35.602 bonds (distance) P-C4' energy: -54.389 flat angles C4'-P-C4' energy: -62.892 flat angles P-C4'-P energy: -23.605 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: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -398.236009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.236009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.236009 (E_RNA) where: Base-Base interactions energy: -195.616 where: short stacking energy: -112.285 Base-Backbone interact. energy: 0.112 local terms energy: -202.731311 where: bonds (distance) C4'-P energy: -52.753 bonds (distance) P-C4' energy: -37.460 flat angles C4'-P-C4' energy: -55.356 flat angles P-C4'-P energy: -36.054 tors. eta vs tors. theta energy: -21.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -453.333308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.333308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.333308 (E_RNA) where: Base-Base interactions energy: -260.784 where: short stacking energy: -131.044 Base-Backbone interact. energy: -1.600 local terms energy: -190.949992 where: bonds (distance) C4'-P energy: -52.551 bonds (distance) P-C4' energy: -49.469 flat angles C4'-P-C4' energy: -45.273 flat angles P-C4'-P energy: -33.745 tors. eta vs tors. theta energy: -9.912 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: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1011.869306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.869306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.869306 (E_RNA) where: Base-Base interactions energy: -709.365 where: short stacking energy: -315.056 Base-Backbone interact. energy: -0.107 local terms energy: -302.396993 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -61.979 flat angles C4'-P-C4' energy: -60.920 flat angles P-C4'-P energy: -39.080 tors. eta vs tors. theta energy: -85.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -994.674552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.674552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.674552 (E_RNA) where: Base-Base interactions energy: -681.365 where: short stacking energy: -286.219 Base-Backbone interact. energy: -0.952 local terms energy: -312.357608 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -65.394 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -84.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -993.106731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.106731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.106731 (E_RNA) where: Base-Base interactions energy: -692.331 where: short stacking energy: -312.737 Base-Backbone interact. energy: -0.978 local terms energy: -299.797637 where: bonds (distance) C4'-P energy: -48.969 bonds (distance) P-C4' energy: -50.964 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -34.518 tors. eta vs tors. theta energy: -95.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -934.352264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.352264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.352264 (E_RNA) where: Base-Base interactions energy: -644.489 where: short stacking energy: -251.915 Base-Backbone interact. energy: -0.537 local terms energy: -289.325962 where: bonds (distance) C4'-P energy: -53.356 bonds (distance) P-C4' energy: -64.098 flat angles C4'-P-C4' energy: -49.316 flat angles P-C4'-P energy: -51.773 tors. eta vs tors. theta energy: -70.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -897.818265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.818265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.818265 (E_RNA) where: Base-Base interactions energy: -618.626 where: short stacking energy: -269.811 Base-Backbone interact. energy: -0.708 local terms energy: -278.484650 where: bonds (distance) C4'-P energy: -52.753 bonds (distance) P-C4' energy: -60.676 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -36.729 tors. eta vs tors. theta energy: -71.182 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: 248 Temperature: 1.150000 Total energy: -787.937060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.937060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.937060 (E_RNA) where: Base-Base interactions energy: -527.318 where: short stacking energy: -223.047 Base-Backbone interact. energy: -2.116 local terms energy: -258.503272 where: bonds (distance) C4'-P energy: -50.641 bonds (distance) P-C4' energy: -55.246 flat angles C4'-P-C4' energy: -57.605 flat angles P-C4'-P energy: -36.547 tors. eta vs tors. theta energy: -58.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -754.794972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.794972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.794972 (E_RNA) where: Base-Base interactions energy: -509.163 where: short stacking energy: -248.593 Base-Backbone interact. energy: -0.696 local terms energy: -244.935508 where: bonds (distance) C4'-P energy: -43.111 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -51.418 flat angles P-C4'-P energy: -32.819 tors. eta vs tors. theta energy: -63.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -512.880617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.880617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.880617 (E_RNA) where: Base-Base interactions energy: -325.922 where: short stacking energy: -163.224 Base-Backbone interact. energy: 2.968 local terms energy: -189.927058 where: bonds (distance) C4'-P energy: -29.718 bonds (distance) P-C4' energy: -57.563 flat angles C4'-P-C4' energy: -54.441 flat angles P-C4'-P energy: -28.680 tors. eta vs tors. theta energy: -19.525 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: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -473.199987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.199987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.199987 (E_RNA) where: Base-Base interactions energy: -273.214 where: short stacking energy: -152.468 Base-Backbone interact. energy: 0.723 local terms energy: -200.708481 where: bonds (distance) C4'-P energy: -45.911 bonds (distance) P-C4' energy: -48.945 flat angles C4'-P-C4' energy: -54.255 flat angles P-C4'-P energy: -34.531 tors. eta vs tors. theta energy: -17.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -425.173534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.173534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.173534 (E_RNA) where: Base-Base interactions energy: -244.588 where: short stacking energy: -139.067 Base-Backbone interact. energy: -1.530 local terms energy: -179.054816 where: bonds (distance) C4'-P energy: -45.599 bonds (distance) P-C4' energy: -38.168 flat angles C4'-P-C4' energy: -41.364 flat angles P-C4'-P energy: -19.784 tors. eta vs tors. theta energy: -34.141 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: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1034.208473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.208473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.208473 (E_RNA) where: Base-Base interactions energy: -711.471 where: short stacking energy: -299.261 Base-Backbone interact. energy: -1.695 local terms energy: -321.042989 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -57.478 flat angles C4'-P-C4' energy: -65.851 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: -88.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1010.784901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.784901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.784901 (E_RNA) where: Base-Base interactions energy: -687.555 where: short stacking energy: -302.580 Base-Backbone interact. energy: -1.129 local terms energy: -322.101092 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -57.507 flat angles C4'-P-C4' energy: -63.557 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -93.268 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: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -976.644200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.644200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.644200 (E_RNA) where: Base-Base interactions energy: -678.476 where: short stacking energy: -302.237 Base-Backbone interact. energy: -2.301 local terms energy: -295.867014 where: bonds (distance) C4'-P energy: -56.235 bonds (distance) P-C4' energy: -48.941 flat angles C4'-P-C4' energy: -60.568 flat angles P-C4'-P energy: -47.162 tors. eta vs tors. theta energy: -82.961 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: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -935.880400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.880400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.880400 (E_RNA) where: Base-Base interactions energy: -651.709 where: short stacking energy: -276.746 Base-Backbone interact. energy: -1.645 local terms energy: -282.526512 where: bonds (distance) C4'-P energy: -46.604 bonds (distance) P-C4' energy: -47.239 flat angles C4'-P-C4' energy: -73.410 flat angles P-C4'-P energy: -41.853 tors. eta vs tors. theta energy: -73.420 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: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -875.359206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.359206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.359206 (E_RNA) where: Base-Base interactions energy: -607.373 where: short stacking energy: -261.922 Base-Backbone interact. energy: -1.923 local terms energy: -266.063180 where: bonds (distance) C4'-P energy: -49.833 bonds (distance) P-C4' energy: -49.174 flat angles C4'-P-C4' energy: -66.005 flat angles P-C4'-P energy: -32.965 tors. eta vs tors. theta energy: -68.086 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: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -797.041095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.041095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.041095 (E_RNA) where: Base-Base interactions energy: -516.610 where: short stacking energy: -247.190 Base-Backbone interact. energy: -1.043 local terms energy: -279.387416 where: bonds (distance) C4'-P energy: -42.855 bonds (distance) P-C4' energy: -64.025 flat angles C4'-P-C4' energy: -62.812 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -67.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -749.983300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.983300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.983300 (E_RNA) where: Base-Base interactions energy: -477.483 where: short stacking energy: -209.221 Base-Backbone interact. energy: 0.469 local terms energy: -272.969130 where: bonds (distance) C4'-P energy: -52.632 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -53.080 flat angles P-C4'-P energy: -45.761 tors. eta vs tors. theta energy: -63.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -495.358553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.358553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.358553 (E_RNA) where: Base-Base interactions energy: -301.801 where: short stacking energy: -160.694 Base-Backbone interact. energy: -0.571 local terms energy: -192.986342 where: bonds (distance) C4'-P energy: -41.803 bonds (distance) P-C4' energy: -47.469 flat angles C4'-P-C4' energy: -49.005 flat angles P-C4'-P energy: -26.603 tors. eta vs tors. theta energy: -28.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -459.855986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.855986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.855986 (E_RNA) where: Base-Base interactions energy: -269.337 where: short stacking energy: -121.426 Base-Backbone interact. energy: 1.200 local terms energy: -191.718574 where: bonds (distance) C4'-P energy: -44.680 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -49.857 flat angles P-C4'-P energy: -31.875 tors. eta vs tors. theta energy: -7.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -415.861495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.861495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.861495 (E_RNA) where: Base-Base interactions energy: -244.502 where: short stacking energy: -139.471 Base-Backbone interact. energy: 2.738 local terms energy: -174.097945 where: bonds (distance) C4'-P energy: -41.351 bonds (distance) P-C4' energy: -39.082 flat angles C4'-P-C4' energy: -46.836 flat angles P-C4'-P energy: -31.549 tors. eta vs tors. theta energy: -15.281 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: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1044.036942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.036942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.036942 (E_RNA) where: Base-Base interactions energy: -725.091 where: short stacking energy: -324.372 Base-Backbone interact. energy: -1.691 local terms energy: -317.255488 where: bonds (distance) C4'-P energy: -55.231 bonds (distance) P-C4' energy: -64.474 flat angles C4'-P-C4' energy: -67.790 flat angles P-C4'-P energy: -39.714 tors. eta vs tors. theta energy: -90.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -985.243917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.243917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.243917 (E_RNA) where: Base-Base interactions energy: -660.138 where: short stacking energy: -294.041 Base-Backbone interact. energy: -0.318 local terms energy: -324.787930 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -64.352 flat angles C4'-P-C4' energy: -62.374 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -92.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -964.302934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.302934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.302934 (E_RNA) where: Base-Base interactions energy: -666.975 where: short stacking energy: -291.161 Base-Backbone interact. energy: -0.769 local terms energy: -296.558473 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -52.451 flat angles C4'-P-C4' energy: -68.489 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -82.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -931.104804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.104804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.104804 (E_RNA) where: Base-Base interactions energy: -644.545 where: short stacking energy: -255.844 Base-Backbone interact. energy: -0.275 local terms energy: -286.284847 where: bonds (distance) C4'-P energy: -45.973 bonds (distance) P-C4' energy: -59.025 flat angles C4'-P-C4' energy: -69.618 flat angles P-C4'-P energy: -39.497 tors. eta vs tors. theta energy: -72.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -892.505968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.505968 (E_RNA) where: Base-Base interactions energy: -614.356 where: short stacking energy: -258.541 Base-Backbone interact. energy: -0.505 local terms energy: -277.644769 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -59.185 flat angles C4'-P-C4' energy: -51.754 flat angles P-C4'-P energy: -41.081 tors. eta vs tors. theta energy: -71.307 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: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -813.837973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.837973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.837973 (E_RNA) where: Base-Base interactions energy: -564.963 where: short stacking energy: -237.777 Base-Backbone interact. energy: 1.751 local terms energy: -250.626338 where: bonds (distance) C4'-P energy: -41.431 bonds (distance) P-C4' energy: -47.628 flat angles C4'-P-C4' energy: -60.349 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -66.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -694.653615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.653615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.653615 (E_RNA) where: Base-Base interactions energy: -456.998 where: short stacking energy: -201.245 Base-Backbone interact. energy: -1.531 local terms energy: -236.124661 where: bonds (distance) C4'-P energy: -56.202 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -49.551 flat angles P-C4'-P energy: -32.990 tors. eta vs tors. theta energy: -39.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -547.852015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.852015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.852015 (E_RNA) where: Base-Base interactions energy: -332.502 where: short stacking energy: -170.977 Base-Backbone interact. energy: -1.605 local terms energy: -213.744321 where: bonds (distance) C4'-P energy: -40.655 bonds (distance) P-C4' energy: -49.122 flat angles C4'-P-C4' energy: -48.036 flat angles P-C4'-P energy: -35.937 tors. eta vs tors. theta energy: -39.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -503.268501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.268501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.268501 (E_RNA) where: Base-Base interactions energy: -305.402 where: short stacking energy: -144.671 Base-Backbone interact. energy: 0.753 local terms energy: -198.619540 where: bonds (distance) C4'-P energy: -49.520 bonds (distance) P-C4' energy: -60.508 flat angles C4'-P-C4' energy: -43.148 flat angles P-C4'-P energy: -16.711 tors. eta vs tors. theta energy: -28.732 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: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -429.080221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.080221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.080221 (E_RNA) where: Base-Base interactions energy: -249.150 where: short stacking energy: -125.685 Base-Backbone interact. energy: -1.239 local terms energy: -178.691493 where: bonds (distance) C4'-P energy: -35.533 bonds (distance) P-C4' energy: -52.091 flat angles C4'-P-C4' energy: -51.374 flat angles P-C4'-P energy: -29.180 tors. eta vs tors. theta energy: -10.513 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: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1046.914449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.914449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.914449 (E_RNA) where: Base-Base interactions energy: -718.980 where: short stacking energy: -317.491 Base-Backbone interact. energy: -0.572 local terms energy: -327.362011 where: bonds (distance) C4'-P energy: -64.131 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -66.359 flat angles P-C4'-P energy: -44.869 tors. eta vs tors. theta energy: -93.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -976.542053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.542053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.542053 (E_RNA) where: Base-Base interactions energy: -660.083 where: short stacking energy: -297.000 Base-Backbone interact. energy: -0.826 local terms energy: -315.632918 where: bonds (distance) C4'-P energy: -61.904 bonds (distance) P-C4' energy: -54.830 flat angles C4'-P-C4' energy: -63.389 flat angles P-C4'-P energy: -42.945 tors. eta vs tors. theta energy: -92.565 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: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -987.271245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.271245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.271245 (E_RNA) where: Base-Base interactions energy: -671.153 where: short stacking energy: -297.384 Base-Backbone interact. energy: -0.195 local terms energy: -315.923943 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -54.391 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -48.760 tors. eta vs tors. theta energy: -90.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -916.596952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.596952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.596952 (E_RNA) where: Base-Base interactions energy: -636.899 where: short stacking energy: -274.701 Base-Backbone interact. energy: 1.979 local terms energy: -281.676675 where: bonds (distance) C4'-P energy: -50.008 bonds (distance) P-C4' energy: -54.361 flat angles C4'-P-C4' energy: -60.707 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: -77.975 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: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -934.143474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.143474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.143474 (E_RNA) where: Base-Base interactions energy: -652.781 where: short stacking energy: -264.268 Base-Backbone interact. energy: -0.802 local terms energy: -280.560048 where: bonds (distance) C4'-P energy: -60.452 bonds (distance) P-C4' energy: -56.285 flat angles C4'-P-C4' energy: -53.018 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -73.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -833.874508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.874508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.874508 (E_RNA) where: Base-Base interactions energy: -573.096 where: short stacking energy: -245.966 Base-Backbone interact. energy: -0.030 local terms energy: -260.747881 where: bonds (distance) C4'-P energy: -47.165 bonds (distance) P-C4' energy: -41.828 flat angles C4'-P-C4' energy: -64.535 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -70.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -716.211701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.211701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.211701 (E_RNA) where: Base-Base interactions energy: -477.083 where: short stacking energy: -217.628 Base-Backbone interact. energy: -0.069 local terms energy: -239.060193 where: bonds (distance) C4'-P energy: -49.347 bonds (distance) P-C4' energy: -39.733 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -38.869 tors. eta vs tors. theta energy: -48.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -530.534797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.534797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.534797 (E_RNA) where: Base-Base interactions energy: -317.047 where: short stacking energy: -169.913 Base-Backbone interact. energy: 0.439 local terms energy: -213.927086 where: bonds (distance) C4'-P energy: -40.991 bonds (distance) P-C4' energy: -55.441 flat angles C4'-P-C4' energy: -56.544 flat angles P-C4'-P energy: -29.066 tors. eta vs tors. theta energy: -31.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -478.485181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.485181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.485181 (E_RNA) where: Base-Base interactions energy: -289.177 where: short stacking energy: -142.957 Base-Backbone interact. energy: 0.522 local terms energy: -189.830860 where: bonds (distance) C4'-P energy: -40.446 bonds (distance) P-C4' energy: -47.485 flat angles C4'-P-C4' energy: -52.147 flat angles P-C4'-P energy: -27.302 tors. eta vs tors. theta energy: -22.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -412.777772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.777772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.777772 (E_RNA) where: Base-Base interactions energy: -237.652 where: short stacking energy: -108.507 Base-Backbone interact. energy: -1.343 local terms energy: -173.782534 where: bonds (distance) C4'-P energy: -43.324 bonds (distance) P-C4' energy: -52.926 flat angles C4'-P-C4' energy: -37.223 flat angles P-C4'-P energy: -30.406 tors. eta vs tors. theta energy: -9.903 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: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1027.299666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.299666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.299666 (E_RNA) where: Base-Base interactions energy: -712.117 where: short stacking energy: -300.925 Base-Backbone interact. energy: -0.160 local terms energy: -315.022843 where: bonds (distance) C4'-P energy: -60.921 bonds (distance) P-C4' energy: -57.491 flat angles C4'-P-C4' energy: -63.229 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -86.136 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: 252 Temperature: 0.950000 Total energy: -992.075139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.075139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.075139 (E_RNA) where: Base-Base interactions energy: -685.449 where: short stacking energy: -311.914 Base-Backbone interact. energy: -1.790 local terms energy: -304.835643 where: bonds (distance) C4'-P energy: -57.252 bonds (distance) P-C4' energy: -55.786 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: -91.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -971.213742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.213742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.213742 (E_RNA) where: Base-Base interactions energy: -664.435 where: short stacking energy: -302.715 Base-Backbone interact. energy: -2.195 local terms energy: -304.583441 where: bonds (distance) C4'-P energy: -52.092 bonds (distance) P-C4' energy: -51.489 flat angles C4'-P-C4' energy: -60.517 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -88.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -926.677727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.677727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.677727 (E_RNA) where: Base-Base interactions energy: -667.183 where: short stacking energy: -269.075 Base-Backbone interact. energy: -1.184 local terms energy: -258.310772 where: bonds (distance) C4'-P energy: -50.160 bonds (distance) P-C4' energy: -48.480 flat angles C4'-P-C4' energy: -61.669 flat angles P-C4'-P energy: -29.475 tors. eta vs tors. theta energy: -68.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -909.296433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.296433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.296433 (E_RNA) where: Base-Base interactions energy: -624.499 where: short stacking energy: -259.797 Base-Backbone interact. energy: -0.454 local terms energy: -284.343779 where: bonds (distance) C4'-P energy: -49.752 bonds (distance) P-C4' energy: -58.573 flat angles C4'-P-C4' energy: -55.440 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -71.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -870.496694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.496694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.496694 (E_RNA) where: Base-Base interactions energy: -592.329 where: short stacking energy: -256.421 Base-Backbone interact. energy: -0.015 local terms energy: -278.152298 where: bonds (distance) C4'-P energy: -53.520 bonds (distance) P-C4' energy: -49.216 flat angles C4'-P-C4' energy: -54.942 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -77.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -749.530614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.530614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.530614 (E_RNA) where: Base-Base interactions energy: -514.995 where: short stacking energy: -234.957 Base-Backbone interact. energy: 1.000 local terms energy: -235.536067 where: bonds (distance) C4'-P energy: -47.244 bonds (distance) P-C4' energy: -46.396 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -33.846 tors. eta vs tors. theta energy: -53.225 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: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -524.445194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.445194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.445194 (E_RNA) where: Base-Base interactions energy: -315.305 where: short stacking energy: -144.677 Base-Backbone interact. energy: 2.860 local terms energy: -212.000265 where: bonds (distance) C4'-P energy: -42.930 bonds (distance) P-C4' energy: -58.282 flat angles C4'-P-C4' energy: -50.518 flat angles P-C4'-P energy: -34.087 tors. eta vs tors. theta energy: -26.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -419.503438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.503438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.503438 (E_RNA) where: Base-Base interactions energy: -245.584 where: short stacking energy: -120.256 Base-Backbone interact. energy: 0.418 local terms energy: -174.337995 where: bonds (distance) C4'-P energy: -43.314 bonds (distance) P-C4' energy: -56.777 flat angles C4'-P-C4' energy: -38.574 flat angles P-C4'-P energy: -33.424 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -400.923071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.923071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.923071 (E_RNA) where: Base-Base interactions energy: -205.217 where: short stacking energy: -122.060 Base-Backbone interact. energy: -1.267 local terms energy: -194.439492 where: bonds (distance) C4'-P energy: -53.040 bonds (distance) P-C4' energy: -53.382 flat angles C4'-P-C4' energy: -44.482 flat angles P-C4'-P energy: -29.965 tors. eta vs tors. theta energy: -13.570 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: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1040.379999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.379999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.379999 (E_RNA) where: Base-Base interactions energy: -726.440 where: short stacking energy: -321.290 Base-Backbone interact. energy: -1.276 local terms energy: -312.664506 where: bonds (distance) C4'-P energy: -55.114 bonds (distance) P-C4' energy: -65.641 flat angles C4'-P-C4' energy: -68.888 flat angles P-C4'-P energy: -35.606 tors. eta vs tors. theta energy: -87.415 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: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -956.893991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.893991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.893991 (E_RNA) where: Base-Base interactions energy: -668.111 where: short stacking energy: -316.207 Base-Backbone interact. energy: -0.165 local terms energy: -288.618030 where: bonds (distance) C4'-P energy: -46.311 bonds (distance) P-C4' energy: -52.939 flat angles C4'-P-C4' energy: -60.863 flat angles P-C4'-P energy: -38.994 tors. eta vs tors. theta energy: -89.510 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: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -972.646157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.646157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.646157 (E_RNA) where: Base-Base interactions energy: -660.698 where: short stacking energy: -296.958 Base-Backbone interact. energy: -1.041 local terms energy: -310.907014 where: bonds (distance) C4'-P energy: -60.490 bonds (distance) P-C4' energy: -56.527 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -81.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -923.121018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.121018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.121018 (E_RNA) where: Base-Base interactions energy: -646.964 where: short stacking energy: -257.674 Base-Backbone interact. energy: -1.306 local terms energy: -274.851814 where: bonds (distance) C4'-P energy: -53.621 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -59.131 flat angles P-C4'-P energy: -37.001 tors. eta vs tors. theta energy: -68.375 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: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -881.338094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.338094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.338094 (E_RNA) where: Base-Base interactions energy: -608.709 where: short stacking energy: -249.819 Base-Backbone interact. energy: 1.940 local terms energy: -274.568306 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -49.043 flat angles C4'-P-C4' energy: -55.917 flat angles P-C4'-P energy: -41.731 tors. eta vs tors. theta energy: -71.086 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: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -826.410941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.410941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.410941 (E_RNA) where: Base-Base interactions energy: -572.443 where: short stacking energy: -224.856 Base-Backbone interact. energy: -2.480 local terms energy: -251.487543 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -44.373 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -24.086 tors. eta vs tors. theta energy: -65.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -748.465297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.465297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.465297 (E_RNA) where: Base-Base interactions energy: -485.903 where: short stacking energy: -208.742 Base-Backbone interact. energy: -0.982 local terms energy: -261.580917 where: bonds (distance) C4'-P energy: -46.165 bonds (distance) P-C4' energy: -56.004 flat angles C4'-P-C4' energy: -63.702 flat angles P-C4'-P energy: -40.491 tors. eta vs tors. theta energy: -55.219 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: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -563.661582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.661582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.661582 (E_RNA) where: Base-Base interactions energy: -360.251 where: short stacking energy: -164.957 Base-Backbone interact. energy: 1.964 local terms energy: -205.374575 where: bonds (distance) C4'-P energy: -55.212 bonds (distance) P-C4' energy: -49.227 flat angles C4'-P-C4' energy: -48.803 flat angles P-C4'-P energy: -21.601 tors. eta vs tors. theta energy: -30.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -431.855861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.855861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.855861 (E_RNA) where: Base-Base interactions energy: -234.210 where: short stacking energy: -119.522 Base-Backbone interact. energy: 2.350 local terms energy: -199.996214 where: bonds (distance) C4'-P energy: -60.928 bonds (distance) P-C4' energy: -49.899 flat angles C4'-P-C4' energy: -47.950 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -343.659040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.659040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.659040 (E_RNA) where: Base-Base interactions energy: -181.398 where: short stacking energy: -96.250 Base-Backbone interact. energy: 1.572 local terms energy: -163.833090 where: bonds (distance) C4'-P energy: -40.996 bonds (distance) P-C4' energy: -64.089 flat angles C4'-P-C4' energy: -37.899 flat angles P-C4'-P energy: -24.974 tors. eta vs tors. theta energy: 4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1035.487283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.487283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.487283 (E_RNA) where: Base-Base interactions energy: -730.185 where: short stacking energy: -315.104 Base-Backbone interact. energy: 0.636 local terms energy: -305.937898 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -60.986 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -36.590 tors. eta vs tors. theta energy: -87.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -970.233107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.233107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.233107 (E_RNA) where: Base-Base interactions energy: -666.869 where: short stacking energy: -291.425 Base-Backbone interact. energy: -1.835 local terms energy: -301.529448 where: bonds (distance) C4'-P energy: -52.023 bonds (distance) P-C4' energy: -56.743 flat angles C4'-P-C4' energy: -68.368 flat angles P-C4'-P energy: -41.360 tors. eta vs tors. theta energy: -83.036 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: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -967.989107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.989107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.989107 (E_RNA) where: Base-Base interactions energy: -656.319 where: short stacking energy: -299.054 Base-Backbone interact. energy: -1.655 local terms energy: -310.015383 where: bonds (distance) C4'-P energy: -67.247 bonds (distance) P-C4' energy: -51.176 flat angles C4'-P-C4' energy: -61.655 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -83.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -940.341727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.341727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.341727 (E_RNA) where: Base-Base interactions energy: -652.592 where: short stacking energy: -261.573 Base-Backbone interact. energy: -0.767 local terms energy: -286.982084 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -57.821 flat angles C4'-P-C4' energy: -61.250 flat angles P-C4'-P energy: -42.145 tors. eta vs tors. theta energy: -68.277 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: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -907.635090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.635090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.635090 (E_RNA) where: Base-Base interactions energy: -630.310 where: short stacking energy: -274.562 Base-Backbone interact. energy: 1.031 local terms energy: -278.356017 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -53.831 flat angles C4'-P-C4' energy: -52.411 flat angles P-C4'-P energy: -43.244 tors. eta vs tors. theta energy: -77.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -816.949643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.949643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.949643 (E_RNA) where: Base-Base interactions energy: -548.605 where: short stacking energy: -238.122 Base-Backbone interact. energy: -0.030 local terms energy: -268.313920 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -59.517 flat angles C4'-P-C4' energy: -44.464 flat angles P-C4'-P energy: -41.026 tors. eta vs tors. theta energy: -62.450 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: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -711.449688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.449688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.449688 (E_RNA) where: Base-Base interactions energy: -480.242 where: short stacking energy: -235.493 Base-Backbone interact. energy: 0.268 local terms energy: -231.476116 where: bonds (distance) C4'-P energy: -47.869 bonds (distance) P-C4' energy: -36.229 flat angles C4'-P-C4' energy: -48.089 flat angles P-C4'-P energy: -37.128 tors. eta vs tors. theta energy: -62.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -615.836510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.836510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.836510 (E_RNA) where: Base-Base interactions energy: -394.195 where: short stacking energy: -173.242 Base-Backbone interact. energy: -0.617 local terms energy: -221.023901 where: bonds (distance) C4'-P energy: -50.302 bonds (distance) P-C4' energy: -58.327 flat angles C4'-P-C4' energy: -52.704 flat angles P-C4'-P energy: -24.497 tors. eta vs tors. theta energy: -35.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -438.286693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.286693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.286693 (E_RNA) where: Base-Base interactions energy: -254.617 where: short stacking energy: -135.429 Base-Backbone interact. energy: 0.211 local terms energy: -183.880959 where: bonds (distance) C4'-P energy: -41.655 bonds (distance) P-C4' energy: -43.945 flat angles C4'-P-C4' energy: -49.447 flat angles P-C4'-P energy: -20.309 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: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -328.497893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.497893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.497893 (E_RNA) where: Base-Base interactions energy: -179.066 where: short stacking energy: -84.521 Base-Backbone interact. energy: 3.415 local terms energy: -152.846785 where: bonds (distance) C4'-P energy: -51.904 bonds (distance) P-C4' energy: -50.083 flat angles C4'-P-C4' energy: -36.302 flat angles P-C4'-P energy: -16.264 tors. eta vs tors. theta energy: 1.706 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: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1020.985318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.985318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.985318 (E_RNA) where: Base-Base interactions energy: -726.288 where: short stacking energy: -294.648 Base-Backbone interact. energy: -1.603 local terms energy: -293.094498 where: bonds (distance) C4'-P energy: -51.852 bonds (distance) P-C4' energy: -55.513 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -38.957 tors. eta vs tors. theta energy: -80.376 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: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1002.269528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.269528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.269528 (E_RNA) where: Base-Base interactions energy: -704.225 where: short stacking energy: -317.739 Base-Backbone interact. energy: -0.780 local terms energy: -297.264489 where: bonds (distance) C4'-P energy: -50.484 bonds (distance) P-C4' energy: -63.864 flat angles C4'-P-C4' energy: -50.576 flat angles P-C4'-P energy: -43.241 tors. eta vs tors. theta energy: -89.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -936.579545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.579545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.579545 (E_RNA) where: Base-Base interactions energy: -632.309 where: short stacking energy: -268.935 Base-Backbone interact. energy: 0.408 local terms energy: -304.677698 where: bonds (distance) C4'-P energy: -55.242 bonds (distance) P-C4' energy: -59.405 flat angles C4'-P-C4' energy: -63.833 flat angles P-C4'-P energy: -46.736 tors. eta vs tors. theta energy: -79.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -931.626395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.626395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.626395 (E_RNA) where: Base-Base interactions energy: -624.059 where: short stacking energy: -283.370 Base-Backbone interact. energy: -0.640 local terms energy: -306.927409 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -62.194 flat angles C4'-P-C4' energy: -60.543 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -77.925 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: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -881.629487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.629487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.629487 (E_RNA) where: Base-Base interactions energy: -618.241 where: short stacking energy: -236.904 Base-Backbone interact. energy: -1.968 local terms energy: -261.421082 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -50.320 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -55.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -809.811344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.811344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.811344 (E_RNA) where: Base-Base interactions energy: -557.516 where: short stacking energy: -224.183 Base-Backbone interact. energy: -0.654 local terms energy: -251.641366 where: bonds (distance) C4'-P energy: -42.912 bonds (distance) P-C4' energy: -44.407 flat angles C4'-P-C4' energy: -56.908 flat angles P-C4'-P energy: -38.369 tors. eta vs tors. theta energy: -69.045 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: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -739.985667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.985667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.985667 (E_RNA) where: Base-Base interactions energy: -472.902 where: short stacking energy: -202.431 Base-Backbone interact. energy: -1.228 local terms energy: -265.856016 where: bonds (distance) C4'-P energy: -58.942 bonds (distance) P-C4' energy: -61.025 flat angles C4'-P-C4' energy: -56.817 flat angles P-C4'-P energy: -33.603 tors. eta vs tors. theta energy: -55.470 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: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -616.468197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.468197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.468197 (E_RNA) where: Base-Base interactions energy: -388.066 where: short stacking energy: -193.444 Base-Backbone interact. energy: -1.261 local terms energy: -227.140447 where: bonds (distance) C4'-P energy: -49.218 bonds (distance) P-C4' energy: -53.748 flat angles C4'-P-C4' energy: -50.214 flat angles P-C4'-P energy: -37.693 tors. eta vs tors. theta energy: -36.266 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: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -413.139505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.139505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.139505 (E_RNA) where: Base-Base interactions energy: -238.597 where: short stacking energy: -122.123 Base-Backbone interact. energy: -1.154 local terms energy: -173.388686 where: bonds (distance) C4'-P energy: -50.478 bonds (distance) P-C4' energy: -50.670 flat angles C4'-P-C4' energy: -43.519 flat angles P-C4'-P energy: -16.982 tors. eta vs tors. theta energy: -11.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -344.476733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.476733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.476733 (E_RNA) where: Base-Base interactions energy: -156.751 where: short stacking energy: -90.261 Base-Backbone interact. energy: -0.538 local terms energy: -187.188009 where: bonds (distance) C4'-P energy: -49.371 bonds (distance) P-C4' energy: -58.109 flat angles C4'-P-C4' energy: -47.063 flat angles P-C4'-P energy: -32.006 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1038.868640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.868640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.868640 (E_RNA) where: Base-Base interactions energy: -726.846 where: short stacking energy: -315.811 Base-Backbone interact. energy: 0.441 local terms energy: -312.463594 where: bonds (distance) C4'-P energy: -58.333 bonds (distance) P-C4' energy: -65.387 flat angles C4'-P-C4' energy: -56.346 flat angles P-C4'-P energy: -40.677 tors. eta vs tors. theta energy: -91.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1020.238298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.238298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.238298 (E_RNA) where: Base-Base interactions energy: -704.876 where: short stacking energy: -302.515 Base-Backbone interact. energy: -1.739 local terms energy: -313.623054 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -61.170 flat angles C4'-P-C4' energy: -65.659 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -83.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -970.920960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.920960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.920960 (E_RNA) where: Base-Base interactions energy: -673.976 where: short stacking energy: -271.974 Base-Backbone interact. energy: -0.280 local terms energy: -296.664399 where: bonds (distance) C4'-P energy: -60.265 bonds (distance) P-C4' energy: -60.460 flat angles C4'-P-C4' energy: -58.758 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -70.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -915.853503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.853503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.853503 (E_RNA) where: Base-Base interactions energy: -626.799 where: short stacking energy: -264.937 Base-Backbone interact. energy: -1.535 local terms energy: -287.518978 where: bonds (distance) C4'-P energy: -59.268 bonds (distance) P-C4' energy: -54.691 flat angles C4'-P-C4' energy: -61.384 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -68.925 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: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -910.022622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.022622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.022622 (E_RNA) where: Base-Base interactions energy: -639.069 where: short stacking energy: -264.353 Base-Backbone interact. energy: 1.003 local terms energy: -271.957095 where: bonds (distance) C4'-P energy: -51.684 bonds (distance) P-C4' energy: -50.920 flat angles C4'-P-C4' energy: -65.277 flat angles P-C4'-P energy: -31.331 tors. eta vs tors. theta energy: -72.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -802.852258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.852258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.852258 (E_RNA) where: Base-Base interactions energy: -549.094 where: short stacking energy: -244.024 Base-Backbone interact. energy: 0.162 local terms energy: -253.920572 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -41.399 flat angles C4'-P-C4' energy: -60.742 flat angles P-C4'-P energy: -36.182 tors. eta vs tors. theta energy: -60.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -751.006363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.006363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.006363 (E_RNA) where: Base-Base interactions energy: -496.639 where: short stacking energy: -227.576 Base-Backbone interact. energy: 0.418 local terms energy: -254.785251 where: bonds (distance) C4'-P energy: -46.749 bonds (distance) P-C4' energy: -50.685 flat angles C4'-P-C4' energy: -58.849 flat angles P-C4'-P energy: -42.352 tors. eta vs tors. theta energy: -56.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -558.178355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.178355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.178355 (E_RNA) where: Base-Base interactions energy: -333.463 where: short stacking energy: -162.300 Base-Backbone interact. energy: 2.616 local terms energy: -227.331172 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -43.528 flat angles C4'-P-C4' energy: -60.195 flat angles P-C4'-P energy: -37.061 tors. eta vs tors. theta energy: -35.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -424.071745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.071745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.071745 (E_RNA) where: Base-Base interactions energy: -249.107 where: short stacking energy: -124.568 Base-Backbone interact. energy: 1.886 local terms energy: -176.850816 where: bonds (distance) C4'-P energy: -53.294 bonds (distance) P-C4' energy: -49.374 flat angles C4'-P-C4' energy: -39.093 flat angles P-C4'-P energy: -23.195 tors. eta vs tors. theta energy: -11.894 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: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -341.949502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.949502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.949502 (E_RNA) where: Base-Base interactions energy: -163.078 where: short stacking energy: -92.694 Base-Backbone interact. energy: 1.946 local terms energy: -180.817015 where: bonds (distance) C4'-P energy: -47.832 bonds (distance) P-C4' energy: -60.233 flat angles C4'-P-C4' energy: -50.567 flat angles P-C4'-P energy: -18.363 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1053.300241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.300241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.300241 (E_RNA) where: Base-Base interactions energy: -720.643 where: short stacking energy: -311.145 Base-Backbone interact. energy: -1.228 local terms energy: -331.429586 where: bonds (distance) C4'-P energy: -57.831 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -68.627 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -95.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1023.759639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.759639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.759639 (E_RNA) where: Base-Base interactions energy: -723.909 where: short stacking energy: -319.189 Base-Backbone interact. energy: -0.451 local terms energy: -299.399847 where: bonds (distance) C4'-P energy: -50.856 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -66.871 flat angles P-C4'-P energy: -34.300 tors. eta vs tors. theta energy: -89.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -967.813872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.813872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.813872 (E_RNA) where: Base-Base interactions energy: -678.785 where: short stacking energy: -287.964 Base-Backbone interact. energy: -2.341 local terms energy: -286.687761 where: bonds (distance) C4'-P energy: -56.592 bonds (distance) P-C4' energy: -49.439 flat angles C4'-P-C4' energy: -63.739 flat angles P-C4'-P energy: -41.820 tors. eta vs tors. theta energy: -75.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -901.619877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.619877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.619877 (E_RNA) where: Base-Base interactions energy: -618.978 where: short stacking energy: -266.290 Base-Backbone interact. energy: -0.428 local terms energy: -282.213955 where: bonds (distance) C4'-P energy: -50.444 bonds (distance) P-C4' energy: -48.971 flat angles C4'-P-C4' energy: -64.188 flat angles P-C4'-P energy: -45.946 tors. eta vs tors. theta energy: -72.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -896.388301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.388301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.388301 (E_RNA) where: Base-Base interactions energy: -595.561 where: short stacking energy: -252.395 Base-Backbone interact. energy: -1.277 local terms energy: -299.550155 where: bonds (distance) C4'-P energy: -54.283 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -65.616 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -71.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -739.278837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.278837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.278837 (E_RNA) where: Base-Base interactions energy: -496.696 where: short stacking energy: -200.976 Base-Backbone interact. energy: -1.069 local terms energy: -241.513989 where: bonds (distance) C4'-P energy: -57.259 bonds (distance) P-C4' energy: -50.281 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -29.620 tors. eta vs tors. theta energy: -44.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -798.136598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.136598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.136598 (E_RNA) where: Base-Base interactions energy: -548.042 where: short stacking energy: -247.212 Base-Backbone interact. energy: -3.089 local terms energy: -247.005443 where: bonds (distance) C4'-P energy: -46.944 bonds (distance) P-C4' energy: -49.505 flat angles C4'-P-C4' energy: -54.301 flat angles P-C4'-P energy: -35.641 tors. eta vs tors. theta energy: -60.614 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: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -523.679636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.679636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.679636 (E_RNA) where: Base-Base interactions energy: -317.821 where: short stacking energy: -164.766 Base-Backbone interact. energy: 0.157 local terms energy: -206.015643 where: bonds (distance) C4'-P energy: -45.287 bonds (distance) P-C4' energy: -48.471 flat angles C4'-P-C4' energy: -42.111 flat angles P-C4'-P energy: -40.216 tors. eta vs tors. theta energy: -29.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -400.496696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.496696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.496696 (E_RNA) where: Base-Base interactions energy: -231.133 where: short stacking energy: -115.354 Base-Backbone interact. energy: -1.261 local terms energy: -168.102374 where: bonds (distance) C4'-P energy: -40.390 bonds (distance) P-C4' energy: -48.292 flat angles C4'-P-C4' energy: -43.613 flat angles P-C4'-P energy: -33.377 tors. eta vs tors. theta energy: -2.431 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: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -323.472261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.472261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.472261 (E_RNA) where: Base-Base interactions energy: -153.080 where: short stacking energy: -88.597 Base-Backbone interact. energy: 0.088 local terms energy: -170.480153 where: bonds (distance) C4'-P energy: -49.888 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -37.679 flat angles P-C4'-P energy: -31.590 tors. eta vs tors. theta energy: 4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1040.946490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.946490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.946490 (E_RNA) where: Base-Base interactions energy: -725.569 where: short stacking energy: -300.312 Base-Backbone interact. energy: -0.374 local terms energy: -315.003937 where: bonds (distance) C4'-P energy: -57.569 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -88.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1017.569372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.569372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.569372 (E_RNA) where: Base-Base interactions energy: -724.579 where: short stacking energy: -305.762 Base-Backbone interact. energy: 1.723 local terms energy: -294.713194 where: bonds (distance) C4'-P energy: -48.064 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -63.525 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -84.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -962.206162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.206162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.206162 (E_RNA) where: Base-Base interactions energy: -684.056 where: short stacking energy: -292.825 Base-Backbone interact. energy: -0.734 local terms energy: -277.416314 where: bonds (distance) C4'-P energy: -49.259 bonds (distance) P-C4' energy: -53.594 flat angles C4'-P-C4' energy: -64.269 flat angles P-C4'-P energy: -35.641 tors. eta vs tors. theta energy: -74.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -919.752757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.752757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.752757 (E_RNA) where: Base-Base interactions energy: -638.437 where: short stacking energy: -255.488 Base-Backbone interact. energy: -0.230 local terms energy: -281.086410 where: bonds (distance) C4'-P energy: -50.548 bonds (distance) P-C4' energy: -59.395 flat angles C4'-P-C4' energy: -55.218 flat angles P-C4'-P energy: -42.232 tors. eta vs tors. theta energy: -73.694 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: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -877.648413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.648413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.648413 (E_RNA) where: Base-Base interactions energy: -600.499 where: short stacking energy: -260.019 Base-Backbone interact. energy: 1.786 local terms energy: -278.935383 where: bonds (distance) C4'-P energy: -51.666 bonds (distance) P-C4' energy: -57.869 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -36.465 tors. eta vs tors. theta energy: -69.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -770.211280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.211280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.211280 (E_RNA) where: Base-Base interactions energy: -530.115 where: short stacking energy: -251.274 Base-Backbone interact. energy: 0.708 local terms energy: -240.804491 where: bonds (distance) C4'-P energy: -52.519 bonds (distance) P-C4' energy: -48.448 flat angles C4'-P-C4' energy: -56.940 flat angles P-C4'-P energy: -26.833 tors. eta vs tors. theta energy: -56.065 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: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -803.154520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.154520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.154520 (E_RNA) where: Base-Base interactions energy: -540.593 where: short stacking energy: -226.230 Base-Backbone interact. energy: 0.262 local terms energy: -262.823704 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -49.445 flat angles C4'-P-C4' energy: -53.615 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -60.640 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -510.771171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.771171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.771171 (E_RNA) where: Base-Base interactions energy: -300.247 where: short stacking energy: -146.315 Base-Backbone interact. energy: 1.042 local terms energy: -211.565809 where: bonds (distance) C4'-P energy: -44.158 bonds (distance) P-C4' energy: -53.884 flat angles C4'-P-C4' energy: -49.713 flat angles P-C4'-P energy: -33.983 tors. eta vs tors. theta energy: -29.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -421.770415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.770415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.770415 (E_RNA) where: Base-Base interactions energy: -221.323 where: short stacking energy: -112.117 Base-Backbone interact. energy: -2.567 local terms energy: -197.880364 where: bonds (distance) C4'-P energy: -55.226 bonds (distance) P-C4' energy: -59.490 flat angles C4'-P-C4' energy: -52.055 flat angles P-C4'-P energy: -19.217 tors. eta vs tors. theta energy: -11.892 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: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -331.507022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.507022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.507022 (E_RNA) where: Base-Base interactions energy: -141.567 where: short stacking energy: -82.766 Base-Backbone interact. energy: -1.113 local terms energy: -188.827380 where: bonds (distance) C4'-P energy: -58.925 bonds (distance) P-C4' energy: -55.220 flat angles C4'-P-C4' energy: -46.112 flat angles P-C4'-P energy: -27.640 tors. eta vs tors. theta energy: -0.931 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: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1036.798253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.798253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.798253 (E_RNA) where: Base-Base interactions energy: -719.503 where: short stacking energy: -306.225 Base-Backbone interact. energy: -1.057 local terms energy: -316.238680 where: bonds (distance) C4'-P energy: -62.461 bonds (distance) P-C4' energy: -52.287 flat angles C4'-P-C4' energy: -63.457 flat angles P-C4'-P energy: -46.349 tors. eta vs tors. theta energy: -91.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -992.474041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.474041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.474041 (E_RNA) where: Base-Base interactions energy: -694.129 where: short stacking energy: -313.990 Base-Backbone interact. energy: -1.427 local terms energy: -296.917656 where: bonds (distance) C4'-P energy: -60.840 bonds (distance) P-C4' energy: -56.196 flat angles C4'-P-C4' energy: -61.714 flat angles P-C4'-P energy: -34.870 tors. eta vs tors. theta energy: -83.298 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: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -972.207016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.207016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.207016 (E_RNA) where: Base-Base interactions energy: -677.491 where: short stacking energy: -288.711 Base-Backbone interact. energy: 0.145 local terms energy: -294.861031 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -51.756 flat angles C4'-P-C4' energy: -63.057 flat angles P-C4'-P energy: -45.370 tors. eta vs tors. theta energy: -79.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -903.249647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.249647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.249647 (E_RNA) where: Base-Base interactions energy: -624.079 where: short stacking energy: -245.754 Base-Backbone interact. energy: -1.618 local terms energy: -277.552062 where: bonds (distance) C4'-P energy: -49.457 bonds (distance) P-C4' energy: -52.140 flat angles C4'-P-C4' energy: -52.907 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -77.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -897.345295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.345295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.345295 (E_RNA) where: Base-Base interactions energy: -614.858 where: short stacking energy: -279.861 Base-Backbone interact. energy: -0.687 local terms energy: -281.800149 where: bonds (distance) C4'-P energy: -43.429 bonds (distance) P-C4' energy: -48.235 flat angles C4'-P-C4' energy: -66.980 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -79.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -798.301036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.301036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.301036 (E_RNA) where: Base-Base interactions energy: -556.524 where: short stacking energy: -240.940 Base-Backbone interact. energy: 2.589 local terms energy: -244.366339 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -49.949 flat angles C4'-P-C4' energy: -47.390 flat angles P-C4'-P energy: -28.773 tors. eta vs tors. theta energy: -55.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -747.387603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.387603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.387603 (E_RNA) where: Base-Base interactions energy: -499.883 where: short stacking energy: -220.515 Base-Backbone interact. energy: -0.298 local terms energy: -247.206148 where: bonds (distance) C4'-P energy: -60.112 bonds (distance) P-C4' energy: -57.771 flat angles C4'-P-C4' energy: -40.597 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -41.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -533.742198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.742198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.742198 (E_RNA) where: Base-Base interactions energy: -319.186 where: short stacking energy: -155.623 Base-Backbone interact. energy: -2.049 local terms energy: -212.506891 where: bonds (distance) C4'-P energy: -38.808 bonds (distance) P-C4' energy: -48.275 flat angles C4'-P-C4' energy: -53.037 flat angles P-C4'-P energy: -48.981 tors. eta vs tors. theta energy: -23.406 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: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -447.629213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.629213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.629213 (E_RNA) where: Base-Base interactions energy: -269.753 where: short stacking energy: -152.653 Base-Backbone interact. energy: -0.693 local terms energy: -177.182857 where: bonds (distance) C4'-P energy: -52.319 bonds (distance) P-C4' energy: -51.364 flat angles C4'-P-C4' energy: -37.716 flat angles P-C4'-P energy: -18.340 tors. eta vs tors. theta energy: -17.444 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: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -302.858244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.858244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.858244 (E_RNA) where: Base-Base interactions energy: -131.173 where: short stacking energy: -83.205 Base-Backbone interact. energy: -1.474 local terms energy: -170.211665 where: bonds (distance) C4'-P energy: -53.332 bonds (distance) P-C4' energy: -51.824 flat angles C4'-P-C4' energy: -33.942 flat angles P-C4'-P energy: -26.367 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1053.749165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.749165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.749165 (E_RNA) where: Base-Base interactions energy: -718.095 where: short stacking energy: -302.233 Base-Backbone interact. energy: -2.420 local terms energy: -333.233818 where: bonds (distance) C4'-P energy: -61.909 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -71.198 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -91.453 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: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -976.518001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.518001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.518001 (E_RNA) where: Base-Base interactions energy: -673.851 where: short stacking energy: -288.242 Base-Backbone interact. energy: -0.281 local terms energy: -302.386079 where: bonds (distance) C4'-P energy: -52.405 bonds (distance) P-C4' energy: -53.144 flat angles C4'-P-C4' energy: -67.676 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -79.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -977.933495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.933495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.933495 (E_RNA) where: Base-Base interactions energy: -700.206 where: short stacking energy: -283.490 Base-Backbone interact. energy: 1.248 local terms energy: -278.974666 where: bonds (distance) C4'-P energy: -46.588 bonds (distance) P-C4' energy: -53.213 flat angles C4'-P-C4' energy: -58.645 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -73.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -917.375923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.375923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.375923 (E_RNA) where: Base-Base interactions energy: -645.724 where: short stacking energy: -267.917 Base-Backbone interact. energy: -2.508 local terms energy: -269.143592 where: bonds (distance) C4'-P energy: -47.337 bonds (distance) P-C4' energy: -53.161 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -28.028 tors. eta vs tors. theta energy: -76.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -884.418050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.418050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.418050 (E_RNA) where: Base-Base interactions energy: -604.041 where: short stacking energy: -251.092 Base-Backbone interact. energy: -0.838 local terms energy: -279.539722 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -63.987 flat angles C4'-P-C4' energy: -54.756 flat angles P-C4'-P energy: -39.214 tors. eta vs tors. theta energy: -63.589 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: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -811.736861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.736861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.736861 (E_RNA) where: Base-Base interactions energy: -547.144 where: short stacking energy: -224.077 Base-Backbone interact. energy: -0.821 local terms energy: -263.771901 where: bonds (distance) C4'-P energy: -57.470 bonds (distance) P-C4' energy: -50.572 flat angles C4'-P-C4' energy: -58.094 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: -59.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -726.586412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.586412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.586412 (E_RNA) where: Base-Base interactions energy: -487.902 where: short stacking energy: -222.310 Base-Backbone interact. energy: -1.176 local terms energy: -237.508373 where: bonds (distance) C4'-P energy: -43.695 bonds (distance) P-C4' energy: -57.732 flat angles C4'-P-C4' energy: -49.690 flat angles P-C4'-P energy: -28.827 tors. eta vs tors. theta energy: -57.565 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: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -497.603129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.603129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.603129 (E_RNA) where: Base-Base interactions energy: -309.000 where: short stacking energy: -143.664 Base-Backbone interact. energy: 2.055 local terms energy: -190.657959 where: bonds (distance) C4'-P energy: -46.957 bonds (distance) P-C4' energy: -44.403 flat angles C4'-P-C4' energy: -52.202 flat angles P-C4'-P energy: -25.945 tors. eta vs tors. theta energy: -21.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -422.487394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.487394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.487394 (E_RNA) where: Base-Base interactions energy: -255.043 where: short stacking energy: -137.649 Base-Backbone interact. energy: -0.986 local terms energy: -166.458284 where: bonds (distance) C4'-P energy: -35.642 bonds (distance) P-C4' energy: -47.101 flat angles C4'-P-C4' energy: -41.991 flat angles P-C4'-P energy: -29.136 tors. eta vs tors. theta energy: -12.588 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: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -283.063599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.063599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.063599 (E_RNA) where: Base-Base interactions energy: -124.042 where: short stacking energy: -80.433 Base-Backbone interact. energy: 0.324 local terms energy: -159.345699 where: bonds (distance) C4'-P energy: -44.463 bonds (distance) P-C4' energy: -46.132 flat angles C4'-P-C4' energy: -37.596 flat angles P-C4'-P energy: -26.351 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1074.807275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.807275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.807275 (E_RNA) where: Base-Base interactions energy: -750.270 where: short stacking energy: -304.520 Base-Backbone interact. energy: -0.896 local terms energy: -323.640779 where: bonds (distance) C4'-P energy: -60.408 bonds (distance) P-C4' energy: -58.944 flat angles C4'-P-C4' energy: -68.738 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: -94.988 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: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -995.856462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.856462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.856462 (E_RNA) where: Base-Base interactions energy: -700.209 where: short stacking energy: -304.163 Base-Backbone interact. energy: -0.147 local terms energy: -295.499764 where: bonds (distance) C4'-P energy: -59.381 bonds (distance) P-C4' energy: -52.643 flat angles C4'-P-C4' energy: -67.062 flat angles P-C4'-P energy: -37.745 tors. eta vs tors. theta energy: -78.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -980.958601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.958601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.958601 (E_RNA) where: Base-Base interactions energy: -684.247 where: short stacking energy: -308.807 Base-Backbone interact. energy: -1.265 local terms energy: -295.446258 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -53.362 flat angles C4'-P-C4' energy: -55.765 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -88.190 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: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -903.732757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.732757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.732757 (E_RNA) where: Base-Base interactions energy: -619.370 where: short stacking energy: -256.049 Base-Backbone interact. energy: -1.649 local terms energy: -282.713686 where: bonds (distance) C4'-P energy: -61.268 bonds (distance) P-C4' energy: -51.696 flat angles C4'-P-C4' energy: -60.692 flat angles P-C4'-P energy: -40.161 tors. eta vs tors. theta energy: -68.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -920.535477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.535477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.535477 (E_RNA) where: Base-Base interactions energy: -625.283 where: short stacking energy: -267.460 Base-Backbone interact. energy: -0.099 local terms energy: -295.153504 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -59.032 flat angles P-C4'-P energy: -41.510 tors. eta vs tors. theta energy: -76.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -840.843170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.843170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.843170 (E_RNA) where: Base-Base interactions energy: -582.389 where: short stacking energy: -260.393 Base-Backbone interact. energy: -1.350 local terms energy: -257.104101 where: bonds (distance) C4'-P energy: -48.282 bonds (distance) P-C4' energy: -53.105 flat angles C4'-P-C4' energy: -62.376 flat angles P-C4'-P energy: -29.758 tors. eta vs tors. theta energy: -63.584 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: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -744.696845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.696845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.696845 (E_RNA) where: Base-Base interactions energy: -499.884 where: short stacking energy: -217.312 Base-Backbone interact. energy: -3.810 local terms energy: -241.002615 where: bonds (distance) C4'-P energy: -50.341 bonds (distance) P-C4' energy: -52.782 flat angles C4'-P-C4' energy: -46.119 flat angles P-C4'-P energy: -38.530 tors. eta vs tors. theta energy: -53.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -525.321219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.321219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.321219 (E_RNA) where: Base-Base interactions energy: -314.528 where: short stacking energy: -159.563 Base-Backbone interact. energy: -0.173 local terms energy: -210.620359 where: bonds (distance) C4'-P energy: -51.375 bonds (distance) P-C4' energy: -45.148 flat angles C4'-P-C4' energy: -49.743 flat angles P-C4'-P energy: -36.551 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: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -401.513540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.513540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.513540 (E_RNA) where: Base-Base interactions energy: -234.775 where: short stacking energy: -121.671 Base-Backbone interact. energy: 0.430 local terms energy: -167.168689 where: bonds (distance) C4'-P energy: -45.532 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -29.805 flat angles P-C4'-P energy: -25.937 tors. eta vs tors. theta energy: -5.667 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: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -264.499145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.499145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.499145 (E_RNA) where: Base-Base interactions energy: -99.970 where: short stacking energy: -78.997 Base-Backbone interact. energy: -1.410 local terms energy: -163.118841 where: bonds (distance) C4'-P energy: -44.715 bonds (distance) P-C4' energy: -59.716 flat angles C4'-P-C4' energy: -51.181 flat angles P-C4'-P energy: -18.807 tors. eta vs tors. theta energy: 11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1070.816311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.816311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.816311 (E_RNA) where: Base-Base interactions energy: -743.005 where: short stacking energy: -316.674 Base-Backbone interact. energy: -1.732 local terms energy: -326.079060 where: bonds (distance) C4'-P energy: -61.145 bonds (distance) P-C4' energy: -62.571 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -92.355 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: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -987.381451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.381451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.381451 (E_RNA) where: Base-Base interactions energy: -695.567 where: short stacking energy: -300.776 Base-Backbone interact. energy: 1.284 local terms energy: -293.098920 where: bonds (distance) C4'-P energy: -47.001 bonds (distance) P-C4' energy: -58.350 flat angles C4'-P-C4' energy: -62.335 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: -83.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -996.297298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.297298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.297298 (E_RNA) where: Base-Base interactions energy: -691.710 where: short stacking energy: -294.281 Base-Backbone interact. energy: -0.353 local terms energy: -304.234868 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -51.956 flat angles C4'-P-C4' energy: -67.704 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -82.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -919.966001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.966001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.966001 (E_RNA) where: Base-Base interactions energy: -622.785 where: short stacking energy: -286.297 Base-Backbone interact. energy: -2.443 local terms energy: -294.737559 where: bonds (distance) C4'-P energy: -51.911 bonds (distance) P-C4' energy: -60.055 flat angles C4'-P-C4' energy: -64.211 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -70.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -863.401323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.401323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.401323 (E_RNA) where: Base-Base interactions energy: -591.366 where: short stacking energy: -251.358 Base-Backbone interact. energy: -0.906 local terms energy: -271.129428 where: bonds (distance) C4'-P energy: -46.717 bonds (distance) P-C4' energy: -57.643 flat angles C4'-P-C4' energy: -59.354 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -69.501 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: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -863.664161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.664161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.664161 (E_RNA) where: Base-Base interactions energy: -577.375 where: short stacking energy: -251.762 Base-Backbone interact. energy: -0.744 local terms energy: -285.544931 where: bonds (distance) C4'-P energy: -59.621 bonds (distance) P-C4' energy: -59.226 flat angles C4'-P-C4' energy: -60.115 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: -68.419 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: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -759.068798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.068798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.068798 (E_RNA) where: Base-Base interactions energy: -497.275 where: short stacking energy: -227.819 Base-Backbone interact. energy: -2.006 local terms energy: -259.788585 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -51.598 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -29.875 tors. eta vs tors. theta energy: -64.832 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: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -514.653128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.653128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.653128 (E_RNA) where: Base-Base interactions energy: -297.905 where: short stacking energy: -153.501 Base-Backbone interact. energy: -0.065 local terms energy: -216.683073 where: bonds (distance) C4'-P energy: -44.230 bonds (distance) P-C4' energy: -57.736 flat angles C4'-P-C4' energy: -42.420 flat angles P-C4'-P energy: -39.818 tors. eta vs tors. theta energy: -32.479 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: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -420.613399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.613399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.613399 (E_RNA) where: Base-Base interactions energy: -241.423 where: short stacking energy: -112.439 Base-Backbone interact. energy: 0.336 local terms energy: -179.526495 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -44.920 flat angles C4'-P-C4' energy: -31.088 flat angles P-C4'-P energy: -29.800 tors. eta vs tors. theta energy: -21.702 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: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -286.128670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.128670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.128670 (E_RNA) where: Base-Base interactions energy: -109.463 where: short stacking energy: -103.830 Base-Backbone interact. energy: 1.217 local terms energy: -177.883561 where: bonds (distance) C4'-P energy: -50.285 bonds (distance) P-C4' energy: -53.200 flat angles C4'-P-C4' energy: -46.309 flat angles P-C4'-P energy: -27.422 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1073.696410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.696410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.696410 (E_RNA) where: Base-Base interactions energy: -752.577 where: short stacking energy: -328.053 Base-Backbone interact. energy: -0.956 local terms energy: -320.162767 where: bonds (distance) C4'-P energy: -51.289 bonds (distance) P-C4' energy: -61.918 flat angles C4'-P-C4' energy: -68.861 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -96.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -994.442531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.442531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.442531 (E_RNA) where: Base-Base interactions energy: -689.697 where: short stacking energy: -287.448 Base-Backbone interact. energy: -0.198 local terms energy: -304.547778 where: bonds (distance) C4'-P energy: -56.724 bonds (distance) P-C4' energy: -58.009 flat angles C4'-P-C4' energy: -65.124 flat angles P-C4'-P energy: -44.430 tors. eta vs tors. theta energy: -80.261 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: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -988.359264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.359264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.359264 (E_RNA) where: Base-Base interactions energy: -707.605 where: short stacking energy: -281.602 Base-Backbone interact. energy: -2.404 local terms energy: -278.349665 where: bonds (distance) C4'-P energy: -51.805 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -56.972 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -77.646 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: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -898.504835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.504835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.504835 (E_RNA) where: Base-Base interactions energy: -604.460 where: short stacking energy: -273.527 Base-Backbone interact. energy: -0.320 local terms energy: -293.724927 where: bonds (distance) C4'-P energy: -56.901 bonds (distance) P-C4' energy: -54.665 flat angles C4'-P-C4' energy: -59.398 flat angles P-C4'-P energy: -40.822 tors. eta vs tors. theta energy: -81.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -872.457126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.457126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.457126 (E_RNA) where: Base-Base interactions energy: -592.640 where: short stacking energy: -250.690 Base-Backbone interact. energy: 0.277 local terms energy: -280.094089 where: bonds (distance) C4'-P energy: -45.720 bonds (distance) P-C4' energy: -51.148 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -46.428 tors. eta vs tors. theta energy: -73.349 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: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -857.548582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.548582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.548582 (E_RNA) where: Base-Base interactions energy: -595.220 where: short stacking energy: -245.926 Base-Backbone interact. energy: -0.118 local terms energy: -262.210589 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -55.181 flat angles C4'-P-C4' energy: -58.109 flat angles P-C4'-P energy: -27.623 tors. eta vs tors. theta energy: -65.597 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: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -816.215196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.215196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.215196 (E_RNA) where: Base-Base interactions energy: -565.555 where: short stacking energy: -245.755 Base-Backbone interact. energy: -0.742 local terms energy: -249.917386 where: bonds (distance) C4'-P energy: -47.227 bonds (distance) P-C4' energy: -48.478 flat angles C4'-P-C4' energy: -61.516 flat angles P-C4'-P energy: -27.065 tors. eta vs tors. theta energy: -65.630 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: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -583.490247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.490247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.490247 (E_RNA) where: Base-Base interactions energy: -355.133 where: short stacking energy: -178.878 Base-Backbone interact. energy: -1.798 local terms energy: -226.559818 where: bonds (distance) C4'-P energy: -57.005 bonds (distance) P-C4' energy: -48.913 flat angles C4'-P-C4' energy: -44.610 flat angles P-C4'-P energy: -31.831 tors. eta vs tors. theta energy: -44.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -420.584128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.584128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.584128 (E_RNA) where: Base-Base interactions energy: -226.653 where: short stacking energy: -112.212 Base-Backbone interact. energy: 1.572 local terms energy: -195.503725 where: bonds (distance) C4'-P energy: -45.156 bonds (distance) P-C4' energy: -46.096 flat angles C4'-P-C4' energy: -56.577 flat angles P-C4'-P energy: -26.901 tors. eta vs tors. theta energy: -20.773 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: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -240.888334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.888334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.888334 (E_RNA) where: Base-Base interactions energy: -90.823 where: short stacking energy: -82.220 Base-Backbone interact. energy: -1.194 local terms energy: -148.871192 where: bonds (distance) C4'-P energy: -31.111 bonds (distance) P-C4' energy: -53.621 flat angles C4'-P-C4' energy: -42.785 flat angles P-C4'-P energy: -19.197 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1066.086322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.086322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.086322 (E_RNA) where: Base-Base interactions energy: -737.921 where: short stacking energy: -322.785 Base-Backbone interact. energy: -0.266 local terms energy: -327.899320 where: bonds (distance) C4'-P energy: -58.798 bonds (distance) P-C4' energy: -62.318 flat angles C4'-P-C4' energy: -68.263 flat angles P-C4'-P energy: -42.456 tors. eta vs tors. theta energy: -96.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -989.278075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.278075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.278075 (E_RNA) where: Base-Base interactions energy: -687.564 where: short stacking energy: -292.321 Base-Backbone interact. energy: -0.208 local terms energy: -301.506184 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -38.822 tors. eta vs tors. theta energy: -79.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1022.356842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.356842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.356842 (E_RNA) where: Base-Base interactions energy: -709.477 where: short stacking energy: -293.333 Base-Backbone interact. energy: -1.370 local terms energy: -311.509180 where: bonds (distance) C4'-P energy: -56.855 bonds (distance) P-C4' energy: -56.932 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -45.178 tors. eta vs tors. theta energy: -88.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -885.020588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.020588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.020588 (E_RNA) where: Base-Base interactions energy: -609.362 where: short stacking energy: -267.752 Base-Backbone interact. energy: 3.078 local terms energy: -278.736628 where: bonds (distance) C4'-P energy: -48.830 bonds (distance) P-C4' energy: -47.276 flat angles C4'-P-C4' energy: -67.119 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -74.784 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: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -863.980785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.980785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.980785 (E_RNA) where: Base-Base interactions energy: -584.740 where: short stacking energy: -267.960 Base-Backbone interact. energy: -2.313 local terms energy: -276.927751 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -50.275 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -37.108 tors. eta vs tors. theta energy: -74.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -852.185612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.185612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.185612 (E_RNA) where: Base-Base interactions energy: -598.212 where: short stacking energy: -256.013 Base-Backbone interact. energy: 1.381 local terms energy: -255.354447 where: bonds (distance) C4'-P energy: -53.400 bonds (distance) P-C4' energy: -43.955 flat angles C4'-P-C4' energy: -60.303 flat angles P-C4'-P energy: -35.062 tors. eta vs tors. theta energy: -62.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -814.092152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.092152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.092152 (E_RNA) where: Base-Base interactions energy: -557.469 where: short stacking energy: -236.046 Base-Backbone interact. energy: 0.850 local terms energy: -257.473488 where: bonds (distance) C4'-P energy: -47.366 bonds (distance) P-C4' energy: -56.784 flat angles C4'-P-C4' energy: -51.229 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -63.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -550.966615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.966615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.966615 (E_RNA) where: Base-Base interactions energy: -348.549 where: short stacking energy: -174.951 Base-Backbone interact. energy: 0.178 local terms energy: -202.596071 where: bonds (distance) C4'-P energy: -46.801 bonds (distance) P-C4' energy: -49.180 flat angles C4'-P-C4' energy: -48.919 flat angles P-C4'-P energy: -31.827 tors. eta vs tors. theta energy: -25.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -412.164587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.164587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.164587 (E_RNA) where: Base-Base interactions energy: -223.507 where: short stacking energy: -111.765 Base-Backbone interact. energy: 1.375 local terms energy: -190.032946 where: bonds (distance) C4'-P energy: -51.310 bonds (distance) P-C4' energy: -48.263 flat angles C4'-P-C4' energy: -42.596 flat angles P-C4'-P energy: -32.535 tors. eta vs tors. theta energy: -15.330 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: 264 Temperature: 1.350000 Total energy: -269.603562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.603562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.603562 (E_RNA) where: Base-Base interactions energy: -97.123 where: short stacking energy: -75.074 Base-Backbone interact. energy: -1.919 local terms energy: -170.561839 where: bonds (distance) C4'-P energy: -50.939 bonds (distance) P-C4' energy: -50.660 flat angles C4'-P-C4' energy: -41.424 flat angles P-C4'-P energy: -32.043 tors. eta vs tors. theta energy: 4.505 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: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1054.646634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.646634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.646634 (E_RNA) where: Base-Base interactions energy: -738.613 where: short stacking energy: -313.088 Base-Backbone interact. energy: -1.069 local terms energy: -314.965603 where: bonds (distance) C4'-P energy: -56.207 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -69.032 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -84.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -998.558676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.558676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.558676 (E_RNA) where: Base-Base interactions energy: -703.840 where: short stacking energy: -305.220 Base-Backbone interact. energy: -1.639 local terms energy: -293.080039 where: bonds (distance) C4'-P energy: -57.898 bonds (distance) P-C4' energy: -61.178 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -30.741 tors. eta vs tors. theta energy: -78.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1006.230893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.230893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.230893 (E_RNA) where: Base-Base interactions energy: -696.133 where: short stacking energy: -292.931 Base-Backbone interact. energy: -2.021 local terms energy: -308.077185 where: bonds (distance) C4'-P energy: -53.513 bonds (distance) P-C4' energy: -57.618 flat angles C4'-P-C4' energy: -68.924 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -83.228 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: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -892.939266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.939266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.939266 (E_RNA) where: Base-Base interactions energy: -605.792 where: short stacking energy: -262.908 Base-Backbone interact. energy: -2.199 local terms energy: -284.948192 where: bonds (distance) C4'-P energy: -59.940 bonds (distance) P-C4' energy: -58.932 flat angles C4'-P-C4' energy: -60.836 flat angles P-C4'-P energy: -35.655 tors. eta vs tors. theta energy: -69.585 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: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -874.187591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.187591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.187591 (E_RNA) where: Base-Base interactions energy: -613.999 where: short stacking energy: -277.738 Base-Backbone interact. energy: 0.441 local terms energy: -260.629521 where: bonds (distance) C4'-P energy: -57.021 bonds (distance) P-C4' energy: -38.643 flat angles C4'-P-C4' energy: -61.597 flat angles P-C4'-P energy: -31.971 tors. eta vs tors. theta energy: -71.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -826.399008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.399008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.399008 (E_RNA) where: Base-Base interactions energy: -555.977 where: short stacking energy: -228.561 Base-Backbone interact. energy: -1.610 local terms energy: -268.811271 where: bonds (distance) C4'-P energy: -34.805 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -69.698 flat angles P-C4'-P energy: -34.925 tors. eta vs tors. theta energy: -72.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -767.820191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.820191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.820191 (E_RNA) where: Base-Base interactions energy: -523.651 where: short stacking energy: -232.317 Base-Backbone interact. energy: 3.984 local terms energy: -248.153271 where: bonds (distance) C4'-P energy: -52.975 bonds (distance) P-C4' energy: -37.562 flat angles C4'-P-C4' energy: -60.859 flat angles P-C4'-P energy: -32.307 tors. eta vs tors. theta energy: -64.450 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: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -536.064926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.064926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.064926 (E_RNA) where: Base-Base interactions energy: -322.483 where: short stacking energy: -159.786 Base-Backbone interact. energy: -0.590 local terms energy: -212.992428 where: bonds (distance) C4'-P energy: -46.387 bonds (distance) P-C4' energy: -52.555 flat angles C4'-P-C4' energy: -45.737 flat angles P-C4'-P energy: -35.555 tors. eta vs tors. theta energy: -32.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -423.222148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.222148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.222148 (E_RNA) where: Base-Base interactions energy: -231.021 where: short stacking energy: -123.004 Base-Backbone interact. energy: 0.226 local terms energy: -192.427104 where: bonds (distance) C4'-P energy: -49.522 bonds (distance) P-C4' energy: -54.745 flat angles C4'-P-C4' energy: -47.543 flat angles P-C4'-P energy: -32.670 tors. eta vs tors. theta energy: -7.948 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: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -256.776287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.776287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.776287 (E_RNA) where: Base-Base interactions energy: -124.201 where: short stacking energy: -86.993 Base-Backbone interact. energy: 6.477 local terms energy: -139.052271 where: bonds (distance) C4'-P energy: -50.012 bonds (distance) P-C4' energy: -43.950 flat angles C4'-P-C4' energy: -39.276 flat angles P-C4'-P energy: -20.204 tors. eta vs tors. theta energy: 14.390 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: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1047.463760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.463760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.463760 (E_RNA) where: Base-Base interactions energy: -743.673 where: short stacking energy: -321.781 Base-Backbone interact. energy: 0.444 local terms energy: -304.234499 where: bonds (distance) C4'-P energy: -47.280 bonds (distance) P-C4' energy: -66.726 flat angles C4'-P-C4' energy: -65.125 flat angles P-C4'-P energy: -36.265 tors. eta vs tors. theta energy: -88.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1001.911088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.911088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.911088 (E_RNA) where: Base-Base interactions energy: -698.603 where: short stacking energy: -303.600 Base-Backbone interact. energy: 0.036 local terms energy: -303.343606 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -54.538 flat angles C4'-P-C4' energy: -59.398 flat angles P-C4'-P energy: -45.307 tors. eta vs tors. theta energy: -81.772 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: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -985.995474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.995474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.995474 (E_RNA) where: Base-Base interactions energy: -677.317 where: short stacking energy: -281.466 Base-Backbone interact. energy: -0.753 local terms energy: -307.925455 where: bonds (distance) C4'-P energy: -57.401 bonds (distance) P-C4' energy: -60.147 flat angles C4'-P-C4' energy: -59.207 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -89.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -898.223800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.223800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.223800 (E_RNA) where: Base-Base interactions energy: -619.446 where: short stacking energy: -259.359 Base-Backbone interact. energy: -1.555 local terms energy: -277.223005 where: bonds (distance) C4'-P energy: -50.694 bonds (distance) P-C4' energy: -55.157 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -73.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -894.378331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.378331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.378331 (E_RNA) where: Base-Base interactions energy: -629.511 where: short stacking energy: -252.202 Base-Backbone interact. energy: -0.902 local terms energy: -263.965586 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -42.246 flat angles C4'-P-C4' energy: -58.105 flat angles P-C4'-P energy: -33.282 tors. eta vs tors. theta energy: -71.779 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: 266 Temperature: 1.150000 Total energy: -819.694703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.694703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.694703 (E_RNA) where: Base-Base interactions energy: -548.224 where: short stacking energy: -243.838 Base-Backbone interact. energy: -0.668 local terms energy: -270.803021 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -58.496 flat angles C4'-P-C4' energy: -56.588 flat angles P-C4'-P energy: -33.229 tors. eta vs tors. theta energy: -62.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -729.275308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.275308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.275308 (E_RNA) where: Base-Base interactions energy: -473.153 where: short stacking energy: -205.719 Base-Backbone interact. energy: -0.047 local terms energy: -256.075668 where: bonds (distance) C4'-P energy: -58.123 bonds (distance) P-C4' energy: -55.708 flat angles C4'-P-C4' energy: -54.229 flat angles P-C4'-P energy: -40.308 tors. eta vs tors. theta energy: -47.708 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: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -571.996975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.996975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.996975 (E_RNA) where: Base-Base interactions energy: -347.195 where: short stacking energy: -165.836 Base-Backbone interact. energy: 4.639 local terms energy: -229.441175 where: bonds (distance) C4'-P energy: -48.806 bonds (distance) P-C4' energy: -55.575 flat angles C4'-P-C4' energy: -58.120 flat angles P-C4'-P energy: -34.437 tors. eta vs tors. theta energy: -32.504 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: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -435.325051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.325051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.325051 (E_RNA) where: Base-Base interactions energy: -238.924 where: short stacking energy: -107.941 Base-Backbone interact. energy: -2.012 local terms energy: -194.389803 where: bonds (distance) C4'-P energy: -50.320 bonds (distance) P-C4' energy: -47.159 flat angles C4'-P-C4' energy: -62.008 flat angles P-C4'-P energy: -31.547 tors. eta vs tors. theta energy: -3.355 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: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -280.475552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.475552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.475552 (E_RNA) where: Base-Base interactions energy: -108.991 where: short stacking energy: -78.495 Base-Backbone interact. energy: -2.379 local terms energy: -169.106166 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -37.393 flat angles C4'-P-C4' energy: -47.228 flat angles P-C4'-P energy: -30.033 tors. eta vs tors. theta energy: -1.879 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: 267 Temperature: 0.900000 Total energy: -1056.509824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.509824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.509824 (E_RNA) where: Base-Base interactions energy: -739.595 where: short stacking energy: -310.702 Base-Backbone interact. energy: -1.691 local terms energy: -315.224596 where: bonds (distance) C4'-P energy: -45.966 bonds (distance) P-C4' energy: -55.925 flat angles C4'-P-C4' energy: -69.358 flat angles P-C4'-P energy: -49.500 tors. eta vs tors. theta energy: -94.476 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: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1018.266814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.266814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.266814 (E_RNA) where: Base-Base interactions energy: -721.515 where: short stacking energy: -316.078 Base-Backbone interact. energy: -0.337 local terms energy: -296.415238 where: bonds (distance) C4'-P energy: -63.104 bonds (distance) P-C4' energy: -50.530 flat angles C4'-P-C4' energy: -57.088 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -81.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -986.460257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.460257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.460257 (E_RNA) where: Base-Base interactions energy: -689.186 where: short stacking energy: -285.296 Base-Backbone interact. energy: -1.618 local terms energy: -295.656872 where: bonds (distance) C4'-P energy: -56.861 bonds (distance) P-C4' energy: -54.000 flat angles C4'-P-C4' energy: -61.432 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: -77.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -901.546613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.546613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.546613 (E_RNA) where: Base-Base interactions energy: -627.231 where: short stacking energy: -267.124 Base-Backbone interact. energy: -1.432 local terms energy: -272.883015 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -25.419 tors. eta vs tors. theta energy: -73.228 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: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -870.672589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.672589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.672589 (E_RNA) where: Base-Base interactions energy: -594.525 where: short stacking energy: -252.509 Base-Backbone interact. energy: -0.751 local terms energy: -275.396557 where: bonds (distance) C4'-P energy: -53.193 bonds (distance) P-C4' energy: -53.829 flat angles C4'-P-C4' energy: -58.457 flat angles P-C4'-P energy: -35.874 tors. eta vs tors. theta energy: -74.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -818.102164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.102164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.102164 (E_RNA) where: Base-Base interactions energy: -540.386 where: short stacking energy: -229.018 Base-Backbone interact. energy: 1.595 local terms energy: -279.310603 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -45.984 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -46.687 tors. eta vs tors. theta energy: -60.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -787.402109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.402109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.402109 (E_RNA) where: Base-Base interactions energy: -551.922 where: short stacking energy: -233.864 Base-Backbone interact. energy: 0.497 local terms energy: -235.977167 where: bonds (distance) C4'-P energy: -47.558 bonds (distance) P-C4' energy: -45.981 flat angles C4'-P-C4' energy: -46.381 flat angles P-C4'-P energy: -32.381 tors. eta vs tors. theta energy: -63.675 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: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -579.362012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.362012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.362012 (E_RNA) where: Base-Base interactions energy: -383.121 where: short stacking energy: -170.710 Base-Backbone interact. energy: 0.938 local terms energy: -197.178950 where: bonds (distance) C4'-P energy: -42.847 bonds (distance) P-C4' energy: -43.843 flat angles C4'-P-C4' energy: -51.620 flat angles P-C4'-P energy: -32.274 tors. eta vs tors. theta energy: -26.596 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: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -390.384710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.384710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.384710 (E_RNA) where: Base-Base interactions energy: -206.083 where: short stacking energy: -120.711 Base-Backbone interact. energy: -0.440 local terms energy: -183.861825 where: bonds (distance) C4'-P energy: -62.917 bonds (distance) P-C4' energy: -43.909 flat angles C4'-P-C4' energy: -41.016 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -272.863009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.863009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.863009 (E_RNA) where: Base-Base interactions energy: -106.381 where: short stacking energy: -86.921 Base-Backbone interact. energy: -0.848 local terms energy: -165.633397 where: bonds (distance) C4'-P energy: -42.125 bonds (distance) P-C4' energy: -54.027 flat angles C4'-P-C4' energy: -37.197 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: 0.464 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: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1048.346389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.346389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.346389 (E_RNA) where: Base-Base interactions energy: -734.799 where: short stacking energy: -289.511 Base-Backbone interact. energy: -0.341 local terms energy: -313.206868 where: bonds (distance) C4'-P energy: -63.310 bonds (distance) P-C4' energy: -63.078 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -38.238 tors. eta vs tors. theta energy: -82.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1019.615232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.615232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.615232 (E_RNA) where: Base-Base interactions energy: -720.493 where: short stacking energy: -314.763 Base-Backbone interact. energy: -1.719 local terms energy: -297.403023 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -48.778 flat angles C4'-P-C4' energy: -63.233 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -81.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -977.151916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.151916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.151916 (E_RNA) where: Base-Base interactions energy: -683.718 where: short stacking energy: -274.506 Base-Backbone interact. energy: -1.761 local terms energy: -291.673132 where: bonds (distance) C4'-P energy: -57.029 bonds (distance) P-C4' energy: -53.335 flat angles C4'-P-C4' energy: -64.169 flat angles P-C4'-P energy: -36.601 tors. eta vs tors. theta energy: -80.539 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: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -932.960888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.960888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.960888 (E_RNA) where: Base-Base interactions energy: -636.226 where: short stacking energy: -262.295 Base-Backbone interact. energy: -1.510 local terms energy: -295.225488 where: bonds (distance) C4'-P energy: -58.291 bonds (distance) P-C4' energy: -60.408 flat angles C4'-P-C4' energy: -58.781 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -73.818 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: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -868.829787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.829787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.829787 (E_RNA) where: Base-Base interactions energy: -594.278 where: short stacking energy: -269.220 Base-Backbone interact. energy: -0.661 local terms energy: -273.891226 where: bonds (distance) C4'-P energy: -53.608 bonds (distance) P-C4' energy: -54.720 flat angles C4'-P-C4' energy: -55.280 flat angles P-C4'-P energy: -43.276 tors. eta vs tors. theta energy: -67.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -812.809294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.809294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.809294 (E_RNA) where: Base-Base interactions energy: -565.535 where: short stacking energy: -233.719 Base-Backbone interact. energy: -1.699 local terms energy: -245.575362 where: bonds (distance) C4'-P energy: -39.235 bonds (distance) P-C4' energy: -55.930 flat angles C4'-P-C4' energy: -56.785 flat angles P-C4'-P energy: -27.393 tors. eta vs tors. theta energy: -66.232 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: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -766.258805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.258805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.258805 (E_RNA) where: Base-Base interactions energy: -512.035 where: short stacking energy: -238.120 Base-Backbone interact. energy: -0.290 local terms energy: -253.933421 where: bonds (distance) C4'-P energy: -43.800 bonds (distance) P-C4' energy: -51.448 flat angles C4'-P-C4' energy: -56.770 flat angles P-C4'-P energy: -29.750 tors. eta vs tors. theta energy: -72.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -610.633286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.633286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.633286 (E_RNA) where: Base-Base interactions energy: -386.383 where: short stacking energy: -171.110 Base-Backbone interact. energy: -1.116 local terms energy: -223.134074 where: bonds (distance) C4'-P energy: -57.513 bonds (distance) P-C4' energy: -51.685 flat angles C4'-P-C4' energy: -49.724 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -30.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -392.529811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.529811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.529811 (E_RNA) where: Base-Base interactions energy: -219.332 where: short stacking energy: -125.126 Base-Backbone interact. energy: -1.540 local terms energy: -171.658229 where: bonds (distance) C4'-P energy: -42.819 bonds (distance) P-C4' energy: -58.232 flat angles C4'-P-C4' energy: -42.550 flat angles P-C4'-P energy: -22.700 tors. eta vs tors. theta energy: -5.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -284.477944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.477944 (E_RNA) where: Base-Base interactions energy: -148.026 where: short stacking energy: -87.355 Base-Backbone interact. energy: -1.049 local terms energy: -135.403529 where: bonds (distance) C4'-P energy: -37.647 bonds (distance) P-C4' energy: -51.491 flat angles C4'-P-C4' energy: -34.892 flat angles P-C4'-P energy: -25.820 tors. eta vs tors. theta energy: 14.446 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: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1037.421365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.421365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.421365 (E_RNA) where: Base-Base interactions energy: -731.398 where: short stacking energy: -316.983 Base-Backbone interact. energy: -0.726 local terms energy: -305.296765 where: bonds (distance) C4'-P energy: -64.575 bonds (distance) P-C4' energy: -55.538 flat angles C4'-P-C4' energy: -62.636 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -83.019 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: 269 Temperature: 0.950000 Total energy: -1020.244580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.244580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.244580 (E_RNA) where: Base-Base interactions energy: -708.006 where: short stacking energy: -307.233 Base-Backbone interact. energy: -1.347 local terms energy: -310.892114 where: bonds (distance) C4'-P energy: -57.114 bonds (distance) P-C4' energy: -65.856 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -40.899 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -993.037440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.037440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.037440 (E_RNA) where: Base-Base interactions energy: -695.393 where: short stacking energy: -287.423 Base-Backbone interact. energy: -0.735 local terms energy: -296.908976 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -55.172 flat angles C4'-P-C4' energy: -60.396 flat angles P-C4'-P energy: -46.591 tors. eta vs tors. theta energy: -83.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -900.584858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.584858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.584858 (E_RNA) where: Base-Base interactions energy: -617.528 where: short stacking energy: -253.834 Base-Backbone interact. energy: -0.640 local terms energy: -282.416953 where: bonds (distance) C4'-P energy: -45.169 bonds (distance) P-C4' energy: -56.514 flat angles C4'-P-C4' energy: -66.483 flat angles P-C4'-P energy: -40.276 tors. eta vs tors. theta energy: -73.975 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -865.186089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.186089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.186089 (E_RNA) where: Base-Base interactions energy: -590.109 where: short stacking energy: -242.424 Base-Backbone interact. energy: -0.646 local terms energy: -274.431326 where: bonds (distance) C4'-P energy: -62.162 bonds (distance) P-C4' energy: -47.379 flat angles C4'-P-C4' energy: -57.982 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -62.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -791.305669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.305669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.305669 (E_RNA) where: Base-Base interactions energy: -541.085 where: short stacking energy: -251.632 Base-Backbone interact. energy: -1.805 local terms energy: -248.415903 where: bonds (distance) C4'-P energy: -49.112 bonds (distance) P-C4' energy: -45.789 flat angles C4'-P-C4' energy: -57.098 flat angles P-C4'-P energy: -29.128 tors. eta vs tors. theta energy: -67.290 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: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -752.202551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.202551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.202551 (E_RNA) where: Base-Base interactions energy: -508.174 where: short stacking energy: -229.789 Base-Backbone interact. energy: -0.801 local terms energy: -243.227495 where: bonds (distance) C4'-P energy: -45.981 bonds (distance) P-C4' energy: -48.236 flat angles C4'-P-C4' energy: -58.081 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: -59.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -605.716413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.716413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.716413 (E_RNA) where: Base-Base interactions energy: -383.330 where: short stacking energy: -189.709 Base-Backbone interact. energy: 0.493 local terms energy: -222.878818 where: bonds (distance) C4'-P energy: -44.805 bonds (distance) P-C4' energy: -47.875 flat angles C4'-P-C4' energy: -55.017 flat angles P-C4'-P energy: -30.785 tors. eta vs tors. theta energy: -44.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -488.466521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.466521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.466521 (E_RNA) where: Base-Base interactions energy: -289.869 where: short stacking energy: -136.205 Base-Backbone interact. energy: -1.072 local terms energy: -197.525211 where: bonds (distance) C4'-P energy: -48.754 bonds (distance) P-C4' energy: -53.627 flat angles C4'-P-C4' energy: -48.057 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -12.636 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: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -287.274902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.274902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.274902 (E_RNA) where: Base-Base interactions energy: -122.146 where: short stacking energy: -81.013 Base-Backbone interact. energy: -0.876 local terms energy: -164.252358 where: bonds (distance) C4'-P energy: -56.479 bonds (distance) P-C4' energy: -46.920 flat angles C4'-P-C4' energy: -33.262 flat angles P-C4'-P energy: -27.277 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1030.510290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.510290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.510290 (E_RNA) where: Base-Base interactions energy: -708.287 where: short stacking energy: -303.765 Base-Backbone interact. energy: -1.792 local terms energy: -320.431598 where: bonds (distance) C4'-P energy: -54.033 bonds (distance) P-C4' energy: -62.832 flat angles C4'-P-C4' energy: -71.787 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -89.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1012.915678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.915678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.915678 (E_RNA) where: Base-Base interactions energy: -718.504 where: short stacking energy: -307.594 Base-Backbone interact. energy: -1.418 local terms energy: -292.993272 where: bonds (distance) C4'-P energy: -45.689 bonds (distance) P-C4' energy: -58.371 flat angles C4'-P-C4' energy: -59.858 flat angles P-C4'-P energy: -49.419 tors. eta vs tors. theta energy: -79.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -990.187058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.187058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.187058 (E_RNA) where: Base-Base interactions energy: -682.254 where: short stacking energy: -291.254 Base-Backbone interact. energy: 1.531 local terms energy: -309.464434 where: bonds (distance) C4'-P energy: -58.716 bonds (distance) P-C4' energy: -52.253 flat angles C4'-P-C4' energy: -66.901 flat angles P-C4'-P energy: -46.566 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: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -901.455949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.455949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.455949 (E_RNA) where: Base-Base interactions energy: -631.941 where: short stacking energy: -273.543 Base-Backbone interact. energy: 2.804 local terms energy: -272.318609 where: bonds (distance) C4'-P energy: -49.789 bonds (distance) P-C4' energy: -45.808 flat angles C4'-P-C4' energy: -59.730 flat angles P-C4'-P energy: -43.655 tors. eta vs tors. theta energy: -73.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -863.945536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.945536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.945536 (E_RNA) where: Base-Base interactions energy: -599.902 where: short stacking energy: -258.355 Base-Backbone interact. energy: -0.225 local terms energy: -263.818639 where: bonds (distance) C4'-P energy: -50.249 bonds (distance) P-C4' energy: -53.103 flat angles C4'-P-C4' energy: -52.756 flat angles P-C4'-P energy: -34.449 tors. eta vs tors. theta energy: -73.261 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: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -778.972882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.972882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.972882 (E_RNA) where: Base-Base interactions energy: -514.475 where: short stacking energy: -221.838 Base-Backbone interact. energy: -1.937 local terms energy: -262.561506 where: bonds (distance) C4'-P energy: -47.053 bonds (distance) P-C4' energy: -53.397 flat angles C4'-P-C4' energy: -59.781 flat angles P-C4'-P energy: -40.474 tors. eta vs tors. theta energy: -61.856 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: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -767.376277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.376277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.376277 (E_RNA) where: Base-Base interactions energy: -527.394 where: short stacking energy: -223.284 Base-Backbone interact. energy: -0.627 local terms energy: -239.355274 where: bonds (distance) C4'-P energy: -38.051 bonds (distance) P-C4' energy: -55.379 flat angles C4'-P-C4' energy: -56.413 flat angles P-C4'-P energy: -31.490 tors. eta vs tors. theta energy: -58.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -559.228608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.228608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.228608 (E_RNA) where: Base-Base interactions energy: -362.014 where: short stacking energy: -175.762 Base-Backbone interact. energy: 2.696 local terms energy: -199.910530 where: bonds (distance) C4'-P energy: -39.341 bonds (distance) P-C4' energy: -61.608 flat angles C4'-P-C4' energy: -45.852 flat angles P-C4'-P energy: -17.582 tors. eta vs tors. theta energy: -35.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -516.764105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.764105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.764105 (E_RNA) where: Base-Base interactions energy: -329.526 where: short stacking energy: -159.057 Base-Backbone interact. energy: -1.603 local terms energy: -185.634282 where: bonds (distance) C4'-P energy: -44.956 bonds (distance) P-C4' energy: -45.085 flat angles C4'-P-C4' energy: -39.440 flat angles P-C4'-P energy: -33.209 tors. eta vs tors. theta energy: -22.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -290.086275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.086275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.086275 (E_RNA) where: Base-Base interactions energy: -148.674 where: short stacking energy: -103.679 Base-Backbone interact. energy: -0.341 local terms energy: -141.071359 where: bonds (distance) C4'-P energy: -43.207 bonds (distance) P-C4' energy: -44.360 flat angles C4'-P-C4' energy: -36.891 flat angles P-C4'-P energy: -25.149 tors. eta vs tors. theta energy: 8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1041.347966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.347966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.347966 (E_RNA) where: Base-Base interactions energy: -716.174 where: short stacking energy: -298.921 Base-Backbone interact. energy: -1.059 local terms energy: -324.115594 where: bonds (distance) C4'-P energy: -59.309 bonds (distance) P-C4' energy: -56.887 flat angles C4'-P-C4' energy: -70.703 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -90.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1025.332422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.332422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.332422 (E_RNA) where: Base-Base interactions energy: -722.866 where: short stacking energy: -303.865 Base-Backbone interact. energy: 0.308 local terms energy: -302.774098 where: bonds (distance) C4'-P energy: -49.775 bonds (distance) P-C4' energy: -63.519 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -44.715 tors. eta vs tors. theta energy: -77.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -984.548373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.548373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.548373 (E_RNA) where: Base-Base interactions energy: -685.736 where: short stacking energy: -282.463 Base-Backbone interact. energy: -1.160 local terms energy: -297.651871 where: bonds (distance) C4'-P energy: -55.266 bonds (distance) P-C4' energy: -61.496 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -43.915 tors. eta vs tors. theta energy: -75.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -876.119275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.119275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.119275 (E_RNA) where: Base-Base interactions energy: -600.313 where: short stacking energy: -260.239 Base-Backbone interact. energy: -0.462 local terms energy: -275.344298 where: bonds (distance) C4'-P energy: -53.289 bonds (distance) P-C4' energy: -49.248 flat angles C4'-P-C4' energy: -63.724 flat angles P-C4'-P energy: -39.471 tors. eta vs tors. theta energy: -69.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -872.324472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.324472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.324472 (E_RNA) where: Base-Base interactions energy: -616.255 where: short stacking energy: -253.944 Base-Backbone interact. energy: 0.545 local terms energy: -256.615363 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -40.772 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -33.849 tors. eta vs tors. theta energy: -64.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -773.808581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.808581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.808581 (E_RNA) where: Base-Base interactions energy: -504.427 where: short stacking energy: -239.269 Base-Backbone interact. energy: -1.282 local terms energy: -268.099605 where: bonds (distance) C4'-P energy: -60.996 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -49.658 flat angles P-C4'-P energy: -34.402 tors. eta vs tors. theta energy: -63.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -755.330524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.330524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.330524 (E_RNA) where: Base-Base interactions energy: -520.045 where: short stacking energy: -202.499 Base-Backbone interact. energy: -1.295 local terms energy: -233.989681 where: bonds (distance) C4'-P energy: -47.617 bonds (distance) P-C4' energy: -38.309 flat angles C4'-P-C4' energy: -60.657 flat angles P-C4'-P energy: -40.771 tors. eta vs tors. theta energy: -46.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -560.954920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.954920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.954920 (E_RNA) where: Base-Base interactions energy: -361.336 where: short stacking energy: -182.923 Base-Backbone interact. energy: -0.980 local terms energy: -198.639062 where: bonds (distance) C4'-P energy: -49.597 bonds (distance) P-C4' energy: -47.754 flat angles C4'-P-C4' energy: -37.983 flat angles P-C4'-P energy: -28.937 tors. eta vs tors. theta energy: -34.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -405.536925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.536925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.536925 (E_RNA) where: Base-Base interactions energy: -223.027 where: short stacking energy: -123.842 Base-Backbone interact. energy: -1.968 local terms energy: -180.541895 where: bonds (distance) C4'-P energy: -46.130 bonds (distance) P-C4' energy: -48.357 flat angles C4'-P-C4' energy: -54.559 flat angles P-C4'-P energy: -26.042 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -261.163093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.163093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.163093 (E_RNA) where: Base-Base interactions energy: -102.501 where: short stacking energy: -78.916 Base-Backbone interact. energy: -0.325 local terms energy: -158.337243 where: bonds (distance) C4'-P energy: -45.622 bonds (distance) P-C4' energy: -57.409 flat angles C4'-P-C4' energy: -43.121 flat angles P-C4'-P energy: -20.510 tors. eta vs tors. theta energy: 8.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1044.663357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.663357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.663357 (E_RNA) where: Base-Base interactions energy: -736.069 where: short stacking energy: -312.550 Base-Backbone interact. energy: -1.173 local terms energy: -307.421307 where: bonds (distance) C4'-P energy: -48.934 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -63.675 flat angles P-C4'-P energy: -45.972 tors. eta vs tors. theta energy: -86.050 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: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1031.749208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.749208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.749208 (E_RNA) where: Base-Base interactions energy: -740.713 where: short stacking energy: -312.866 Base-Backbone interact. energy: -1.640 local terms energy: -289.396533 where: bonds (distance) C4'-P energy: -50.365 bonds (distance) P-C4' energy: -48.461 flat angles C4'-P-C4' energy: -61.245 flat angles P-C4'-P energy: -45.044 tors. eta vs tors. theta energy: -84.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -992.014478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.014478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.014478 (E_RNA) where: Base-Base interactions energy: -679.935 where: short stacking energy: -297.788 Base-Backbone interact. energy: 0.527 local terms energy: -312.607416 where: bonds (distance) C4'-P energy: -58.710 bonds (distance) P-C4' energy: -61.547 flat angles C4'-P-C4' energy: -66.553 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -85.077 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: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -883.249500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.249500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.249500 (E_RNA) where: Base-Base interactions energy: -597.245 where: short stacking energy: -265.658 Base-Backbone interact. energy: 1.208 local terms energy: -287.212599 where: bonds (distance) C4'-P energy: -61.051 bonds (distance) P-C4' energy: -52.173 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -75.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -888.457900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.457900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.457900 (E_RNA) where: Base-Base interactions energy: -622.884 where: short stacking energy: -269.393 Base-Backbone interact. energy: -2.472 local terms energy: -263.101522 where: bonds (distance) C4'-P energy: -51.328 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -50.257 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: -71.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -799.484247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.484247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.484247 (E_RNA) where: Base-Base interactions energy: -528.147 where: short stacking energy: -237.840 Base-Backbone interact. energy: -0.856 local terms energy: -270.481490 where: bonds (distance) C4'-P energy: -47.535 bonds (distance) P-C4' energy: -49.723 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -36.937 tors. eta vs tors. theta energy: -73.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -780.774449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.774449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.774449 (E_RNA) where: Base-Base interactions energy: -511.277 where: short stacking energy: -226.079 Base-Backbone interact. energy: -0.968 local terms energy: -268.529238 where: bonds (distance) C4'-P energy: -46.923 bonds (distance) P-C4' energy: -59.165 flat angles C4'-P-C4' energy: -62.159 flat angles P-C4'-P energy: -45.399 tors. eta vs tors. theta energy: -54.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -636.058988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.058988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.058988 (E_RNA) where: Base-Base interactions energy: -399.319 where: short stacking energy: -192.827 Base-Backbone interact. energy: 4.968 local terms energy: -241.707463 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -50.362 flat angles C4'-P-C4' energy: -51.591 flat angles P-C4'-P energy: -25.089 tors. eta vs tors. theta energy: -49.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -408.996457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.996457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.996457 (E_RNA) where: Base-Base interactions energy: -200.134 where: short stacking energy: -113.832 Base-Backbone interact. energy: -0.736 local terms energy: -208.126661 where: bonds (distance) C4'-P energy: -53.920 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -48.641 flat angles P-C4'-P energy: -30.619 tors. eta vs tors. theta energy: -14.824 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: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -271.669603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.669603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.669603 (E_RNA) where: Base-Base interactions energy: -129.617 where: short stacking energy: -93.047 Base-Backbone interact. energy: -1.779 local terms energy: -140.273010 where: bonds (distance) C4'-P energy: -34.529 bonds (distance) P-C4' energy: -48.469 flat angles C4'-P-C4' energy: -43.848 flat angles P-C4'-P energy: -22.178 tors. eta vs tors. theta energy: 8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1041.502364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.502364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.502364 (E_RNA) where: Base-Base interactions energy: -726.904 where: short stacking energy: -309.564 Base-Backbone interact. energy: -0.841 local terms energy: -313.756782 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -49.746 tors. eta vs tors. theta energy: -85.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1027.060505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.060505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.060505 (E_RNA) where: Base-Base interactions energy: -719.196 where: short stacking energy: -322.749 Base-Backbone interact. energy: -0.826 local terms energy: -307.038418 where: bonds (distance) C4'-P energy: -57.555 bonds (distance) P-C4' energy: -47.844 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -45.872 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: 3, replica: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -979.358298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.358298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.358298 (E_RNA) where: Base-Base interactions energy: -691.361 where: short stacking energy: -286.180 Base-Backbone interact. energy: -1.466 local terms energy: -286.530955 where: bonds (distance) C4'-P energy: -49.423 bonds (distance) P-C4' energy: -60.840 flat angles C4'-P-C4' energy: -50.572 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -81.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -909.527078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.527078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.527078 (E_RNA) where: Base-Base interactions energy: -621.330 where: short stacking energy: -276.414 Base-Backbone interact. energy: -0.322 local terms energy: -287.874261 where: bonds (distance) C4'-P energy: -55.057 bonds (distance) P-C4' energy: -44.411 flat angles C4'-P-C4' energy: -64.300 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -81.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -875.820930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.820930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.820930 (E_RNA) where: Base-Base interactions energy: -593.025 where: short stacking energy: -260.517 Base-Backbone interact. energy: -2.455 local terms energy: -280.340962 where: bonds (distance) C4'-P energy: -46.660 bonds (distance) P-C4' energy: -57.835 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -36.107 tors. eta vs tors. theta energy: -74.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -806.501219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.501219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.501219 (E_RNA) where: Base-Base interactions energy: -568.148 where: short stacking energy: -238.636 Base-Backbone interact. energy: 2.175 local terms energy: -240.528216 where: bonds (distance) C4'-P energy: -49.012 bonds (distance) P-C4' energy: -51.827 flat angles C4'-P-C4' energy: -38.984 flat angles P-C4'-P energy: -37.367 tors. eta vs tors. theta energy: -63.338 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: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -751.583779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.583779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.583779 (E_RNA) where: Base-Base interactions energy: -487.135 where: short stacking energy: -219.715 Base-Backbone interact. energy: -0.847 local terms energy: -263.601635 where: bonds (distance) C4'-P energy: -48.544 bonds (distance) P-C4' energy: -52.348 flat angles C4'-P-C4' energy: -51.244 flat angles P-C4'-P energy: -52.687 tors. eta vs tors. theta energy: -58.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -628.097259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.097259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.097259 (E_RNA) where: Base-Base interactions energy: -402.564 where: short stacking energy: -175.039 Base-Backbone interact. energy: -2.065 local terms energy: -223.468614 where: bonds (distance) C4'-P energy: -43.140 bonds (distance) P-C4' energy: -48.432 flat angles C4'-P-C4' energy: -50.381 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -43.194 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: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -393.717778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.717778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.717778 (E_RNA) where: Base-Base interactions energy: -205.541 where: short stacking energy: -125.919 Base-Backbone interact. energy: -0.729 local terms energy: -187.448053 where: bonds (distance) C4'-P energy: -57.464 bonds (distance) P-C4' energy: -41.325 flat angles C4'-P-C4' energy: -47.871 flat angles P-C4'-P energy: -24.336 tors. eta vs tors. theta energy: -16.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -266.100791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.100791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.100791 (E_RNA) where: Base-Base interactions energy: -117.630 where: short stacking energy: -87.107 Base-Backbone interact. energy: -1.507 local terms energy: -146.963250 where: bonds (distance) C4'-P energy: -47.503 bonds (distance) P-C4' energy: -53.261 flat angles C4'-P-C4' energy: -38.103 flat angles P-C4'-P energy: -16.460 tors. eta vs tors. theta energy: 8.364 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: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1051.665234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.665234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.665234 (E_RNA) where: Base-Base interactions energy: -734.403 where: short stacking energy: -297.677 Base-Backbone interact. energy: 0.771 local terms energy: -318.033137 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -63.214 flat angles C4'-P-C4' energy: -63.045 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -88.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1011.381344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.381344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.381344 (E_RNA) where: Base-Base interactions energy: -704.565 where: short stacking energy: -308.150 Base-Backbone interact. energy: -1.935 local terms energy: -304.881317 where: bonds (distance) C4'-P energy: -53.229 bonds (distance) P-C4' energy: -58.185 flat angles C4'-P-C4' energy: -65.378 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -82.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -990.941320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.941320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.941320 (E_RNA) where: Base-Base interactions energy: -692.279 where: short stacking energy: -277.486 Base-Backbone interact. energy: -1.664 local terms energy: -296.998235 where: bonds (distance) C4'-P energy: -51.445 bonds (distance) P-C4' energy: -53.788 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -36.675 tors. eta vs tors. theta energy: -84.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -901.124771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.124771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.124771 (E_RNA) where: Base-Base interactions energy: -611.754 where: short stacking energy: -264.489 Base-Backbone interact. energy: -1.047 local terms energy: -288.324021 where: bonds (distance) C4'-P energy: -54.684 bonds (distance) P-C4' energy: -58.777 flat angles C4'-P-C4' energy: -58.742 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: -75.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -871.159628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.159628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.159628 (E_RNA) where: Base-Base interactions energy: -570.985 where: short stacking energy: -267.003 Base-Backbone interact. energy: -1.782 local terms energy: -298.392126 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -56.469 flat angles C4'-P-C4' energy: -60.833 flat angles P-C4'-P energy: -49.462 tors. eta vs tors. theta energy: -69.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -841.180011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.180011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.180011 (E_RNA) where: Base-Base interactions energy: -568.835 where: short stacking energy: -245.906 Base-Backbone interact. energy: -0.527 local terms energy: -271.818228 where: bonds (distance) C4'-P energy: -51.400 bonds (distance) P-C4' energy: -54.143 flat angles C4'-P-C4' energy: -62.992 flat angles P-C4'-P energy: -32.755 tors. eta vs tors. theta energy: -70.528 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: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -650.162563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.162563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.162563 (E_RNA) where: Base-Base interactions energy: -397.079 where: short stacking energy: -178.747 Base-Backbone interact. energy: 2.203 local terms energy: -255.286144 where: bonds (distance) C4'-P energy: -51.820 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -55.293 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -52.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -714.941934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.941934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.941934 (E_RNA) where: Base-Base interactions energy: -476.645 where: short stacking energy: -217.482 Base-Backbone interact. energy: -0.241 local terms energy: -238.055782 where: bonds (distance) C4'-P energy: -57.708 bonds (distance) P-C4' energy: -38.391 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -27.786 tors. eta vs tors. theta energy: -55.856 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: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -420.835632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.835632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.835632 (E_RNA) where: Base-Base interactions energy: -225.035 where: short stacking energy: -128.442 Base-Backbone interact. energy: -0.329 local terms energy: -195.471889 where: bonds (distance) C4'-P energy: -45.447 bonds (distance) P-C4' energy: -47.154 flat angles C4'-P-C4' energy: -39.735 flat angles P-C4'-P energy: -36.963 tors. eta vs tors. theta energy: -26.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -268.491214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.491214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.491214 (E_RNA) where: Base-Base interactions energy: -100.766 where: short stacking energy: -84.695 Base-Backbone interact. energy: -0.578 local terms energy: -167.147121 where: bonds (distance) C4'-P energy: -29.882 bonds (distance) P-C4' energy: -58.066 flat angles C4'-P-C4' energy: -42.846 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1036.832194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.832194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.832194 (E_RNA) where: Base-Base interactions energy: -712.476 where: short stacking energy: -308.833 Base-Backbone interact. energy: -0.545 local terms energy: -323.811711 where: bonds (distance) C4'-P energy: -53.666 bonds (distance) P-C4' energy: -65.109 flat angles C4'-P-C4' energy: -69.566 flat angles P-C4'-P energy: -50.912 tors. eta vs tors. theta energy: -84.559 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: 275 Temperature: 0.950000 Total energy: -1022.057206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.057206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.057206 (E_RNA) where: Base-Base interactions energy: -720.674 where: short stacking energy: -309.098 Base-Backbone interact. energy: -0.068 local terms energy: -301.315548 where: bonds (distance) C4'-P energy: -58.195 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -60.042 flat angles P-C4'-P energy: -42.174 tors. eta vs tors. theta energy: -81.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -990.645770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.645770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.645770 (E_RNA) where: Base-Base interactions energy: -685.476 where: short stacking energy: -284.958 Base-Backbone interact. energy: -1.047 local terms energy: -304.122961 where: bonds (distance) C4'-P energy: -55.277 bonds (distance) P-C4' energy: -60.967 flat angles C4'-P-C4' energy: -62.609 flat angles P-C4'-P energy: -39.599 tors. eta vs tors. theta energy: -85.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -886.604439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.604439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.604439 (E_RNA) where: Base-Base interactions energy: -591.064 where: short stacking energy: -271.010 Base-Backbone interact. energy: -0.245 local terms energy: -295.294800 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -50.330 flat angles C4'-P-C4' energy: -69.901 flat angles P-C4'-P energy: -39.546 tors. eta vs tors. theta energy: -71.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -879.243004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.243004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.243004 (E_RNA) where: Base-Base interactions energy: -609.044 where: short stacking energy: -256.009 Base-Backbone interact. energy: -0.610 local terms energy: -269.588491 where: bonds (distance) C4'-P energy: -53.510 bonds (distance) P-C4' energy: -54.437 flat angles C4'-P-C4' energy: -60.741 flat angles P-C4'-P energy: -27.685 tors. eta vs tors. theta energy: -73.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -845.753637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.753637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.753637 (E_RNA) where: Base-Base interactions energy: -587.305 where: short stacking energy: -241.277 Base-Backbone interact. energy: 5.587 local terms energy: -264.035026 where: bonds (distance) C4'-P energy: -45.757 bonds (distance) P-C4' energy: -54.759 flat angles C4'-P-C4' energy: -47.478 flat angles P-C4'-P energy: -51.811 tors. eta vs tors. theta energy: -64.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -645.785713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.785713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.785713 (E_RNA) where: Base-Base interactions energy: -415.996 where: short stacking energy: -206.551 Base-Backbone interact. energy: -1.291 local terms energy: -228.499003 where: bonds (distance) C4'-P energy: -47.870 bonds (distance) P-C4' energy: -51.257 flat angles C4'-P-C4' energy: -52.607 flat angles P-C4'-P energy: -31.804 tors. eta vs tors. theta energy: -44.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -719.445805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.445805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.445805 (E_RNA) where: Base-Base interactions energy: -486.619 where: short stacking energy: -216.484 Base-Backbone interact. energy: 2.452 local terms energy: -235.278678 where: bonds (distance) C4'-P energy: -45.225 bonds (distance) P-C4' energy: -53.372 flat angles C4'-P-C4' energy: -58.245 flat angles P-C4'-P energy: -28.262 tors. eta vs tors. theta energy: -50.175 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: 275 Temperature: 1.300000 Total energy: -410.234555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.234555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.234555 (E_RNA) where: Base-Base interactions energy: -221.563 where: short stacking energy: -118.814 Base-Backbone interact. energy: -2.095 local terms energy: -186.576719 where: bonds (distance) C4'-P energy: -46.664 bonds (distance) P-C4' energy: -52.978 flat angles C4'-P-C4' energy: -46.451 flat angles P-C4'-P energy: -18.918 tors. eta vs tors. theta energy: -21.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -283.557408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.557408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.557408 (E_RNA) where: Base-Base interactions energy: -105.734 where: short stacking energy: -81.267 Base-Backbone interact. energy: -0.514 local terms energy: -177.308763 where: bonds (distance) C4'-P energy: -44.378 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -43.274 flat angles P-C4'-P energy: -31.753 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1030.443923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.443923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.443923 (E_RNA) where: Base-Base interactions energy: -710.247 where: short stacking energy: -308.559 Base-Backbone interact. energy: -0.187 local terms energy: -320.010564 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -62.160 flat angles C4'-P-C4' energy: -67.103 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -85.087 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: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1009.647381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.647381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.647381 (E_RNA) where: Base-Base interactions energy: -727.221 where: short stacking energy: -299.521 Base-Backbone interact. energy: -0.286 local terms energy: -282.140209 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -43.849 flat angles C4'-P-C4' energy: -64.195 flat angles P-C4'-P energy: -39.140 tors. eta vs tors. theta energy: -85.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -987.642760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.642760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.642760 (E_RNA) where: Base-Base interactions energy: -686.328 where: short stacking energy: -284.199 Base-Backbone interact. energy: 0.037 local terms energy: -301.351333 where: bonds (distance) C4'-P energy: -51.495 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -39.045 tors. eta vs tors. theta energy: -85.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -888.521932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.521932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.521932 (E_RNA) where: Base-Base interactions energy: -613.890 where: short stacking energy: -273.262 Base-Backbone interact. energy: -0.290 local terms energy: -274.341848 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -57.036 flat angles C4'-P-C4' energy: -61.324 flat angles P-C4'-P energy: -25.879 tors. eta vs tors. theta energy: -73.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -856.198342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.198342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.198342 (E_RNA) where: Base-Base interactions energy: -589.460 where: short stacking energy: -245.365 Base-Backbone interact. energy: 2.683 local terms energy: -269.421679 where: bonds (distance) C4'-P energy: -48.606 bonds (distance) P-C4' energy: -55.101 flat angles C4'-P-C4' energy: -61.384 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: -65.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -833.580706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.580706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.580706 (E_RNA) where: Base-Base interactions energy: -562.828 where: short stacking energy: -237.485 Base-Backbone interact. energy: -2.013 local terms energy: -268.740085 where: bonds (distance) C4'-P energy: -56.590 bonds (distance) P-C4' energy: -53.382 flat angles C4'-P-C4' energy: -51.942 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: -63.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -740.502869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.502869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.502869 (E_RNA) where: Base-Base interactions energy: -490.515 where: short stacking energy: -209.772 Base-Backbone interact. energy: 0.086 local terms energy: -250.074031 where: bonds (distance) C4'-P energy: -46.231 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -52.677 flat angles P-C4'-P energy: -38.865 tors. eta vs tors. theta energy: -58.999 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: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -598.051643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.051643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.051643 (E_RNA) where: Base-Base interactions energy: -397.224 where: short stacking energy: -170.275 Base-Backbone interact. energy: -1.454 local terms energy: -199.373073 where: bonds (distance) C4'-P energy: -49.881 bonds (distance) P-C4' energy: -43.615 flat angles C4'-P-C4' energy: -48.228 flat angles P-C4'-P energy: -24.491 tors. eta vs tors. theta energy: -33.159 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: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -431.489670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.489670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.489670 (E_RNA) where: Base-Base interactions energy: -248.928 where: short stacking energy: -130.270 Base-Backbone interact. energy: -1.403 local terms energy: -181.158686 where: bonds (distance) C4'-P energy: -35.966 bonds (distance) P-C4' energy: -54.082 flat angles C4'-P-C4' energy: -57.188 flat angles P-C4'-P energy: -23.590 tors. eta vs tors. theta energy: -10.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -272.435453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.435453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.435453 (E_RNA) where: Base-Base interactions energy: -106.671 where: short stacking energy: -97.569 Base-Backbone interact. energy: 0.634 local terms energy: -166.397615 where: bonds (distance) C4'-P energy: -46.404 bonds (distance) P-C4' energy: -56.122 flat angles C4'-P-C4' energy: -43.501 flat angles P-C4'-P energy: -18.096 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1053.870902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.870902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.870902 (E_RNA) where: Base-Base interactions energy: -741.161 where: short stacking energy: -320.446 Base-Backbone interact. energy: -0.970 local terms energy: -311.739762 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -36.598 tors. eta vs tors. theta energy: -87.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1009.218354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.218354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.218354 (E_RNA) where: Base-Base interactions energy: -708.745 where: short stacking energy: -307.050 Base-Backbone interact. energy: -0.443 local terms energy: -300.031195 where: bonds (distance) C4'-P energy: -57.027 bonds (distance) P-C4' energy: -53.925 flat angles C4'-P-C4' energy: -64.899 flat angles P-C4'-P energy: -34.782 tors. eta vs tors. theta energy: -89.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -995.730310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.730310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.730310 (E_RNA) where: Base-Base interactions energy: -711.850 where: short stacking energy: -298.649 Base-Backbone interact. energy: -0.527 local terms energy: -283.352791 where: bonds (distance) C4'-P energy: -47.399 bonds (distance) P-C4' energy: -60.806 flat angles C4'-P-C4' energy: -55.986 flat angles P-C4'-P energy: -41.206 tors. eta vs tors. theta energy: -77.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -892.737477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.737477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.737477 (E_RNA) where: Base-Base interactions energy: -620.499 where: short stacking energy: -261.093 Base-Backbone interact. energy: -1.826 local terms energy: -270.412478 where: bonds (distance) C4'-P energy: -49.405 bonds (distance) P-C4' energy: -55.029 flat angles C4'-P-C4' energy: -59.378 flat angles P-C4'-P energy: -36.774 tors. eta vs tors. theta energy: -69.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -865.423781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.423781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.423781 (E_RNA) where: Base-Base interactions energy: -592.055 where: short stacking energy: -253.912 Base-Backbone interact. energy: 0.004 local terms energy: -273.372859 where: bonds (distance) C4'-P energy: -46.869 bonds (distance) P-C4' energy: -65.486 flat angles C4'-P-C4' energy: -54.493 flat angles P-C4'-P energy: -43.104 tors. eta vs tors. theta energy: -63.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -827.252664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.252664 (E_RNA) where: Base-Base interactions energy: -567.950 where: short stacking energy: -246.235 Base-Backbone interact. energy: 1.545 local terms energy: -260.848243 where: bonds (distance) C4'-P energy: -47.905 bonds (distance) P-C4' energy: -46.312 flat angles C4'-P-C4' energy: -60.472 flat angles P-C4'-P energy: -33.553 tors. eta vs tors. theta energy: -72.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -785.316113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.316113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.316113 (E_RNA) where: Base-Base interactions energy: -530.158 where: short stacking energy: -230.952 Base-Backbone interact. energy: -1.332 local terms energy: -253.826249 where: bonds (distance) C4'-P energy: -52.484 bonds (distance) P-C4' energy: -51.599 flat angles C4'-P-C4' energy: -51.663 flat angles P-C4'-P energy: -34.930 tors. eta vs tors. theta energy: -63.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -600.579978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.579978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.579978 (E_RNA) where: Base-Base interactions energy: -378.777 where: short stacking energy: -164.825 Base-Backbone interact. energy: -0.308 local terms energy: -221.495124 where: bonds (distance) C4'-P energy: -46.382 bonds (distance) P-C4' energy: -56.102 flat angles C4'-P-C4' energy: -49.720 flat angles P-C4'-P energy: -32.892 tors. eta vs tors. theta energy: -36.400 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: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -415.864460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.864460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.864460 (E_RNA) where: Base-Base interactions energy: -227.124 where: short stacking energy: -131.847 Base-Backbone interact. energy: 0.006 local terms energy: -188.747283 where: bonds (distance) C4'-P energy: -37.252 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -55.892 flat angles P-C4'-P energy: -29.728 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -258.455304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.455304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.455304 (E_RNA) where: Base-Base interactions energy: -89.206 where: short stacking energy: -64.449 Base-Backbone interact. energy: -1.002 local terms energy: -168.246497 where: bonds (distance) C4'-P energy: -43.772 bonds (distance) P-C4' energy: -55.890 flat angles C4'-P-C4' energy: -52.050 flat angles P-C4'-P energy: -20.612 tors. eta vs tors. theta energy: 4.077 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: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1033.984548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.984548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.984548 (E_RNA) where: Base-Base interactions energy: -712.560 where: short stacking energy: -297.889 Base-Backbone interact. energy: 0.224 local terms energy: -321.648262 where: bonds (distance) C4'-P energy: -53.819 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -66.467 flat angles P-C4'-P energy: -46.403 tors. eta vs tors. theta energy: -86.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1016.122255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.122255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.122255 (E_RNA) where: Base-Base interactions energy: -701.261 where: short stacking energy: -303.015 Base-Backbone interact. energy: 2.641 local terms energy: -317.502240 where: bonds (distance) C4'-P energy: -55.194 bonds (distance) P-C4' energy: -57.677 flat angles C4'-P-C4' energy: -70.264 flat angles P-C4'-P energy: -48.006 tors. eta vs tors. theta energy: -86.361 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: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -988.696265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.696265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.696265 (E_RNA) where: Base-Base interactions energy: -699.905 where: short stacking energy: -305.920 Base-Backbone interact. energy: 0.056 local terms energy: -288.847588 where: bonds (distance) C4'-P energy: -46.549 bonds (distance) P-C4' energy: -54.855 flat angles C4'-P-C4' energy: -61.469 flat angles P-C4'-P energy: -42.164 tors. eta vs tors. theta energy: -83.810 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: 278 Temperature: 1.050000 Total energy: -877.355802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.355802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.355802 (E_RNA) where: Base-Base interactions energy: -597.446 where: short stacking energy: -248.856 Base-Backbone interact. energy: -1.515 local terms energy: -278.394909 where: bonds (distance) C4'-P energy: -53.172 bonds (distance) P-C4' energy: -53.263 flat angles C4'-P-C4' energy: -64.294 flat angles P-C4'-P energy: -40.199 tors. eta vs tors. theta energy: -67.467 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: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -864.918987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.918987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.918987 (E_RNA) where: Base-Base interactions energy: -597.235 where: short stacking energy: -254.648 Base-Backbone interact. energy: -0.710 local terms energy: -266.974300 where: bonds (distance) C4'-P energy: -58.943 bonds (distance) P-C4' energy: -46.202 flat angles C4'-P-C4' energy: -55.098 flat angles P-C4'-P energy: -35.053 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: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -846.766322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.766322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.766322 (E_RNA) where: Base-Base interactions energy: -564.935 where: short stacking energy: -242.680 Base-Backbone interact. energy: -0.028 local terms energy: -281.803639 where: bonds (distance) C4'-P energy: -55.664 bonds (distance) P-C4' energy: -56.603 flat angles C4'-P-C4' energy: -59.343 flat angles P-C4'-P energy: -38.079 tors. eta vs tors. theta energy: -72.114 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: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -810.988670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.988670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.988670 (E_RNA) where: Base-Base interactions energy: -547.674 where: short stacking energy: -248.501 Base-Backbone interact. energy: -1.062 local terms energy: -262.252362 where: bonds (distance) C4'-P energy: -48.098 bonds (distance) P-C4' energy: -49.445 flat angles C4'-P-C4' energy: -53.340 flat angles P-C4'-P energy: -46.492 tors. eta vs tors. theta energy: -64.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -619.846756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.846756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.846756 (E_RNA) where: Base-Base interactions energy: -382.957 where: short stacking energy: -183.498 Base-Backbone interact. energy: -0.137 local terms energy: -236.753239 where: bonds (distance) C4'-P energy: -49.688 bonds (distance) P-C4' energy: -46.062 flat angles C4'-P-C4' energy: -52.026 flat angles P-C4'-P energy: -40.620 tors. eta vs tors. theta energy: -48.356 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: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -438.504674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.504674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.504674 (E_RNA) where: Base-Base interactions energy: -246.202 where: short stacking energy: -150.979 Base-Backbone interact. energy: 1.778 local terms energy: -194.080845 where: bonds (distance) C4'-P energy: -40.520 bonds (distance) P-C4' energy: -48.202 flat angles C4'-P-C4' energy: -55.733 flat angles P-C4'-P energy: -22.886 tors. eta vs tors. theta energy: -26.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -273.473005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.473005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.473005 (E_RNA) where: Base-Base interactions energy: -123.826 where: short stacking energy: -94.505 Base-Backbone interact. energy: -2.181 local terms energy: -147.465630 where: bonds (distance) C4'-P energy: -45.330 bonds (distance) P-C4' energy: -51.549 flat angles C4'-P-C4' energy: -32.184 flat angles P-C4'-P energy: -26.403 tors. eta vs tors. theta energy: 8.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1032.878241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.878241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.878241 (E_RNA) where: Base-Base interactions energy: -716.546 where: short stacking energy: -310.457 Base-Backbone interact. energy: -1.101 local terms energy: -315.231306 where: bonds (distance) C4'-P energy: -56.737 bonds (distance) P-C4' energy: -64.377 flat angles C4'-P-C4' energy: -70.466 flat angles P-C4'-P energy: -31.793 tors. eta vs tors. theta energy: -91.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1028.241887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.241887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.241887 (E_RNA) where: Base-Base interactions energy: -713.129 where: short stacking energy: -310.113 Base-Backbone interact. energy: 0.590 local terms energy: -315.702951 where: bonds (distance) C4'-P energy: -65.360 bonds (distance) P-C4' energy: -61.237 flat angles C4'-P-C4' energy: -64.600 flat angles P-C4'-P energy: -41.700 tors. eta vs tors. theta energy: -82.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -990.581270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.581270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.581270 (E_RNA) where: Base-Base interactions energy: -698.021 where: short stacking energy: -296.671 Base-Backbone interact. energy: -0.918 local terms energy: -291.641987 where: bonds (distance) C4'-P energy: -52.390 bonds (distance) P-C4' energy: -60.339 flat angles C4'-P-C4' energy: -55.047 flat angles P-C4'-P energy: -42.062 tors. eta vs tors. theta energy: -81.804 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: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -886.602116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.602116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.602116 (E_RNA) where: Base-Base interactions energy: -617.005 where: short stacking energy: -256.324 Base-Backbone interact. energy: 1.786 local terms energy: -271.382768 where: bonds (distance) C4'-P energy: -49.970 bonds (distance) P-C4' energy: -53.232 flat angles C4'-P-C4' energy: -60.390 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -72.965 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: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -878.189107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.189107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.189107 (E_RNA) where: Base-Base interactions energy: -597.098 where: short stacking energy: -254.790 Base-Backbone interact. energy: -0.827 local terms energy: -280.264174 where: bonds (distance) C4'-P energy: -54.146 bonds (distance) P-C4' energy: -52.532 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -33.600 tors. eta vs tors. theta energy: -77.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -829.659314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.659314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.659314 (E_RNA) where: Base-Base interactions energy: -579.806 where: short stacking energy: -239.897 Base-Backbone interact. energy: -0.709 local terms energy: -249.144219 where: bonds (distance) C4'-P energy: -42.441 bonds (distance) P-C4' energy: -47.288 flat angles C4'-P-C4' energy: -55.169 flat angles P-C4'-P energy: -40.464 tors. eta vs tors. theta energy: -63.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -787.488328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.488328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.488328 (E_RNA) where: Base-Base interactions energy: -503.011 where: short stacking energy: -248.307 Base-Backbone interact. energy: -0.567 local terms energy: -283.910175 where: bonds (distance) C4'-P energy: -52.118 bonds (distance) P-C4' energy: -59.763 flat angles C4'-P-C4' energy: -55.612 flat angles P-C4'-P energy: -47.268 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: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -595.441471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.441471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.441471 (E_RNA) where: Base-Base interactions energy: -367.557 where: short stacking energy: -180.664 Base-Backbone interact. energy: -1.354 local terms energy: -226.530745 where: bonds (distance) C4'-P energy: -42.394 bonds (distance) P-C4' energy: -49.860 flat angles C4'-P-C4' energy: -61.519 flat angles P-C4'-P energy: -31.219 tors. eta vs tors. theta energy: -41.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -423.901236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.901236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.901236 (E_RNA) where: Base-Base interactions energy: -223.900 where: short stacking energy: -113.643 Base-Backbone interact. energy: -0.803 local terms energy: -199.198547 where: bonds (distance) C4'-P energy: -66.671 bonds (distance) P-C4' energy: -48.307 flat angles C4'-P-C4' energy: -47.134 flat angles P-C4'-P energy: -25.170 tors. eta vs tors. theta energy: -11.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -247.157027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.157027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.157027 (E_RNA) where: Base-Base interactions energy: -76.181 where: short stacking energy: -72.470 Base-Backbone interact. energy: -0.983 local terms energy: -169.993211 where: bonds (distance) C4'-P energy: -41.562 bonds (distance) P-C4' energy: -56.082 flat angles C4'-P-C4' energy: -46.533 flat angles P-C4'-P energy: -25.558 tors. eta vs tors. theta energy: -0.259 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: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1041.839035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.839035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.839035 (E_RNA) where: Base-Base interactions energy: -716.950 where: short stacking energy: -320.078 Base-Backbone interact. energy: -1.548 local terms energy: -323.340791 where: bonds (distance) C4'-P energy: -59.067 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -42.947 tors. eta vs tors. theta energy: -85.373 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: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1043.888557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.888557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.888557 (E_RNA) where: Base-Base interactions energy: -739.523 where: short stacking energy: -320.313 Base-Backbone interact. energy: -0.861 local terms energy: -303.504189 where: bonds (distance) C4'-P energy: -56.595 bonds (distance) P-C4' energy: -48.762 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: -90.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -985.844938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.844938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.844938 (E_RNA) where: Base-Base interactions energy: -691.828 where: short stacking energy: -296.057 Base-Backbone interact. energy: -1.747 local terms energy: -292.269328 where: bonds (distance) C4'-P energy: -63.417 bonds (distance) P-C4' energy: -51.246 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -79.743 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: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -893.429870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.429870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.429870 (E_RNA) where: Base-Base interactions energy: -623.058 where: short stacking energy: -267.785 Base-Backbone interact. energy: -0.837 local terms energy: -269.534907 where: bonds (distance) C4'-P energy: -41.690 bonds (distance) P-C4' energy: -50.086 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -74.886 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: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -871.369806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.369806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.369806 (E_RNA) where: Base-Base interactions energy: -598.693 where: short stacking energy: -252.999 Base-Backbone interact. energy: -0.448 local terms energy: -272.229071 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -58.279 flat angles P-C4'-P energy: -32.708 tors. eta vs tors. theta energy: -68.405 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: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -794.607945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.607945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.607945 (E_RNA) where: Base-Base interactions energy: -519.718 where: short stacking energy: -232.238 Base-Backbone interact. energy: -1.185 local terms energy: -273.704401 where: bonds (distance) C4'-P energy: -51.604 bonds (distance) P-C4' energy: -57.295 flat angles C4'-P-C4' energy: -59.877 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -63.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -785.932206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.932206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.932206 (E_RNA) where: Base-Base interactions energy: -512.823 where: short stacking energy: -237.075 Base-Backbone interact. energy: -2.571 local terms energy: -270.538090 where: bonds (distance) C4'-P energy: -51.623 bonds (distance) P-C4' energy: -55.517 flat angles C4'-P-C4' energy: -64.317 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: -63.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -587.158251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.158251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.158251 (E_RNA) where: Base-Base interactions energy: -373.828 where: short stacking energy: -180.309 Base-Backbone interact. energy: 1.497 local terms energy: -214.827114 where: bonds (distance) C4'-P energy: -53.032 bonds (distance) P-C4' energy: -39.073 flat angles C4'-P-C4' energy: -49.129 flat angles P-C4'-P energy: -25.608 tors. eta vs tors. theta energy: -47.985 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: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -413.293168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.293168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.293168 (E_RNA) where: Base-Base interactions energy: -250.846 where: short stacking energy: -131.646 Base-Backbone interact. energy: -1.511 local terms energy: -160.936721 where: bonds (distance) C4'-P energy: -40.214 bonds (distance) P-C4' energy: -37.644 flat angles C4'-P-C4' energy: -40.263 flat angles P-C4'-P energy: -30.025 tors. eta vs tors. theta energy: -12.790 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: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -244.129073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.129073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.129073 (E_RNA) where: Base-Base interactions energy: -94.643 where: short stacking energy: -85.182 Base-Backbone interact. energy: -0.185 local terms energy: -149.301311 where: bonds (distance) C4'-P energy: -50.459 bonds (distance) P-C4' energy: -36.388 flat angles C4'-P-C4' energy: -29.942 flat angles P-C4'-P energy: -28.715 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1042.076450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.076450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.076450 (E_RNA) where: Base-Base interactions energy: -716.532 where: short stacking energy: -304.476 Base-Backbone interact. energy: -1.501 local terms energy: -324.044253 where: bonds (distance) C4'-P energy: -61.809 bonds (distance) P-C4' energy: -57.507 flat angles C4'-P-C4' energy: -74.965 flat angles P-C4'-P energy: -40.202 tors. eta vs tors. theta energy: -89.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1049.770928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.770928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.770928 (E_RNA) where: Base-Base interactions energy: -739.781 where: short stacking energy: -317.269 Base-Backbone interact. energy: -1.023 local terms energy: -308.967062 where: bonds (distance) C4'-P energy: -54.122 bonds (distance) P-C4' energy: -53.016 flat angles C4'-P-C4' energy: -67.905 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -91.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -987.393201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.393201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.393201 (E_RNA) where: Base-Base interactions energy: -702.610 where: short stacking energy: -289.527 Base-Backbone interact. energy: -0.733 local terms energy: -284.050958 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -54.141 flat angles C4'-P-C4' energy: -57.446 flat angles P-C4'-P energy: -30.155 tors. eta vs tors. theta energy: -81.338 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: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -893.777965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.777965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.777965 (E_RNA) where: Base-Base interactions energy: -613.961 where: short stacking energy: -266.200 Base-Backbone interact. energy: -0.834 local terms energy: -278.982949 where: bonds (distance) C4'-P energy: -51.640 bonds (distance) P-C4' energy: -62.831 flat angles C4'-P-C4' energy: -55.942 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: -76.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -896.701785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.701785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.701785 (E_RNA) where: Base-Base interactions energy: -635.041 where: short stacking energy: -263.566 Base-Backbone interact. energy: 0.707 local terms energy: -262.367776 where: bonds (distance) C4'-P energy: -49.304 bonds (distance) P-C4' energy: -55.665 flat angles C4'-P-C4' energy: -57.431 flat angles P-C4'-P energy: -19.076 tors. eta vs tors. theta energy: -80.892 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: 281 Temperature: 1.150000 Total energy: -790.711103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.711103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.711103 (E_RNA) where: Base-Base interactions energy: -536.159 where: short stacking energy: -224.168 Base-Backbone interact. energy: -2.300 local terms energy: -252.252551 where: bonds (distance) C4'-P energy: -51.920 bonds (distance) P-C4' energy: -49.106 flat angles C4'-P-C4' energy: -57.495 flat angles P-C4'-P energy: -38.679 tors. eta vs tors. theta energy: -55.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -729.361154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.361154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.361154 (E_RNA) where: Base-Base interactions energy: -485.585 where: short stacking energy: -225.869 Base-Backbone interact. energy: -0.440 local terms energy: -243.336074 where: bonds (distance) C4'-P energy: -44.887 bonds (distance) P-C4' energy: -56.829 flat angles C4'-P-C4' energy: -46.999 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -57.546 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: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -577.382675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.382675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.382675 (E_RNA) where: Base-Base interactions energy: -360.844 where: short stacking energy: -174.476 Base-Backbone interact. energy: -2.414 local terms energy: -214.124326 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -36.951 flat angles P-C4'-P energy: -28.209 tors. eta vs tors. theta energy: -37.134 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: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -403.299574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.299574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.299574 (E_RNA) where: Base-Base interactions energy: -215.971 where: short stacking energy: -114.801 Base-Backbone interact. energy: 3.630 local terms energy: -190.958505 where: bonds (distance) C4'-P energy: -48.605 bonds (distance) P-C4' energy: -57.662 flat angles C4'-P-C4' energy: -41.207 flat angles P-C4'-P energy: -27.902 tors. eta vs tors. theta energy: -15.583 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: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -254.653085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.653085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.653085 (E_RNA) where: Base-Base interactions energy: -82.698 where: short stacking energy: -77.261 Base-Backbone interact. energy: -0.439 local terms energy: -171.515956 where: bonds (distance) C4'-P energy: -57.155 bonds (distance) P-C4' energy: -54.817 flat angles C4'-P-C4' energy: -37.662 flat angles P-C4'-P energy: -22.088 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1035.769110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.769110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.769110 (E_RNA) where: Base-Base interactions energy: -729.121 where: short stacking energy: -317.214 Base-Backbone interact. energy: 0.430 local terms energy: -307.078204 where: bonds (distance) C4'-P energy: -53.754 bonds (distance) P-C4' energy: -57.498 flat angles C4'-P-C4' energy: -68.073 flat angles P-C4'-P energy: -40.107 tors. eta vs tors. theta energy: -87.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1014.062979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.062979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.062979 (E_RNA) where: Base-Base interactions energy: -705.028 where: short stacking energy: -302.305 Base-Backbone interact. energy: -0.449 local terms energy: -308.585327 where: bonds (distance) C4'-P energy: -56.815 bonds (distance) P-C4' energy: -59.630 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -85.430 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: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -992.954073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.954073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.954073 (E_RNA) where: Base-Base interactions energy: -682.566 where: short stacking energy: -278.816 Base-Backbone interact. energy: -1.689 local terms energy: -308.698594 where: bonds (distance) C4'-P energy: -56.806 bonds (distance) P-C4' energy: -54.959 flat angles C4'-P-C4' energy: -64.833 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -88.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -912.930693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.930693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.930693 (E_RNA) where: Base-Base interactions energy: -609.892 where: short stacking energy: -274.389 Base-Backbone interact. energy: 0.896 local terms energy: -303.935392 where: bonds (distance) C4'-P energy: -48.845 bonds (distance) P-C4' energy: -65.790 flat angles C4'-P-C4' energy: -60.492 flat angles P-C4'-P energy: -41.985 tors. eta vs tors. theta energy: -86.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -843.414169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.414169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.414169 (E_RNA) where: Base-Base interactions energy: -569.273 where: short stacking energy: -264.049 Base-Backbone interact. energy: -1.378 local terms energy: -272.763642 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -49.388 flat angles C4'-P-C4' energy: -61.507 flat angles P-C4'-P energy: -38.945 tors. eta vs tors. theta energy: -69.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -873.984335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.984335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.984335 (E_RNA) where: Base-Base interactions energy: -591.331 where: short stacking energy: -250.501 Base-Backbone interact. energy: -0.681 local terms energy: -281.972921 where: bonds (distance) C4'-P energy: -55.486 bonds (distance) P-C4' energy: -47.313 flat angles C4'-P-C4' energy: -59.421 flat angles P-C4'-P energy: -48.406 tors. eta vs tors. theta energy: -71.347 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: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -745.456982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.456982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.456982 (E_RNA) where: Base-Base interactions energy: -474.830 where: short stacking energy: -225.190 Base-Backbone interact. energy: 1.535 local terms energy: -272.161974 where: bonds (distance) C4'-P energy: -57.707 bonds (distance) P-C4' energy: -45.297 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -64.887 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: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -546.630341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.630341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.630341 (E_RNA) where: Base-Base interactions energy: -333.489 where: short stacking energy: -163.478 Base-Backbone interact. energy: 5.239 local terms energy: -218.380383 where: bonds (distance) C4'-P energy: -50.230 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -46.946 flat angles P-C4'-P energy: -30.303 tors. eta vs tors. theta energy: -33.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -438.248156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.248156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.248156 (E_RNA) where: Base-Base interactions energy: -262.156 where: short stacking energy: -112.262 Base-Backbone interact. energy: 1.043 local terms energy: -177.135598 where: bonds (distance) C4'-P energy: -44.787 bonds (distance) P-C4' energy: -53.028 flat angles C4'-P-C4' energy: -55.004 flat angles P-C4'-P energy: -25.225 tors. eta vs tors. theta energy: 0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -261.452965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.452965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.452965 (E_RNA) where: Base-Base interactions energy: -102.463 where: short stacking energy: -75.995 Base-Backbone interact. energy: 3.538 local terms energy: -162.528259 where: bonds (distance) C4'-P energy: -45.302 bonds (distance) P-C4' energy: -42.533 flat angles C4'-P-C4' energy: -43.085 flat angles P-C4'-P energy: -27.203 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1077.285507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.285507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.285507 (E_RNA) where: Base-Base interactions energy: -755.445 where: short stacking energy: -317.681 Base-Backbone interact. energy: 0.627 local terms energy: -322.467193 where: bonds (distance) C4'-P energy: -65.258 bonds (distance) P-C4' energy: -54.342 flat angles C4'-P-C4' energy: -65.539 flat angles P-C4'-P energy: -43.992 tors. eta vs tors. theta energy: -93.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1023.430130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.430130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.430130 (E_RNA) where: Base-Base interactions energy: -699.550 where: short stacking energy: -287.967 Base-Backbone interact. energy: -0.871 local terms energy: -323.008444 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -59.514 flat angles C4'-P-C4' energy: -70.557 flat angles P-C4'-P energy: -43.295 tors. eta vs tors. theta energy: -87.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1008.863047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.863047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.863047 (E_RNA) where: Base-Base interactions energy: -702.781 where: short stacking energy: -295.825 Base-Backbone interact. energy: 0.902 local terms energy: -306.984049 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -55.901 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -78.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -910.342195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.342195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.342195 (E_RNA) where: Base-Base interactions energy: -621.200 where: short stacking energy: -265.525 Base-Backbone interact. energy: -1.728 local terms energy: -287.414934 where: bonds (distance) C4'-P energy: -53.751 bonds (distance) P-C4' energy: -58.758 flat angles C4'-P-C4' energy: -65.900 flat angles P-C4'-P energy: -32.286 tors. eta vs tors. theta energy: -76.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -844.599980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.599980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.599980 (E_RNA) where: Base-Base interactions energy: -566.113 where: short stacking energy: -263.559 Base-Backbone interact. energy: -2.795 local terms energy: -275.692062 where: bonds (distance) C4'-P energy: -49.411 bonds (distance) P-C4' energy: -58.346 flat angles C4'-P-C4' energy: -56.611 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -72.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -856.085234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.085234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.085234 (E_RNA) where: Base-Base interactions energy: -571.813 where: short stacking energy: -241.963 Base-Backbone interact. energy: 0.017 local terms energy: -284.288931 where: bonds (distance) C4'-P energy: -53.491 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -59.112 flat angles P-C4'-P energy: -37.840 tors. eta vs tors. theta energy: -74.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -712.266835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.266835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.266835 (E_RNA) where: Base-Base interactions energy: -477.828 where: short stacking energy: -229.291 Base-Backbone interact. energy: 2.227 local terms energy: -236.666326 where: bonds (distance) C4'-P energy: -37.725 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -51.652 flat angles P-C4'-P energy: -37.768 tors. eta vs tors. theta energy: -54.946 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: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -552.404074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.404074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.404074 (E_RNA) where: Base-Base interactions energy: -342.215 where: short stacking energy: -170.109 Base-Backbone interact. energy: -0.064 local terms energy: -210.124823 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -47.959 flat angles C4'-P-C4' energy: -41.755 flat angles P-C4'-P energy: -27.022 tors. eta vs tors. theta energy: -37.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -445.627711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.627711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.627711 (E_RNA) where: Base-Base interactions energy: -261.055 where: short stacking energy: -152.528 Base-Backbone interact. energy: 1.512 local terms energy: -186.085374 where: bonds (distance) C4'-P energy: -45.758 bonds (distance) P-C4' energy: -42.900 flat angles C4'-P-C4' energy: -39.954 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -23.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -302.621912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.621912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.621912 (E_RNA) where: Base-Base interactions energy: -124.639 where: short stacking energy: -109.355 Base-Backbone interact. energy: 1.191 local terms energy: -179.174433 where: bonds (distance) C4'-P energy: -43.000 bonds (distance) P-C4' energy: -40.204 flat angles C4'-P-C4' energy: -48.310 flat angles P-C4'-P energy: -33.159 tors. eta vs tors. theta energy: -14.502 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: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1065.517489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.517489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.517489 (E_RNA) where: Base-Base interactions energy: -737.644 where: short stacking energy: -319.779 Base-Backbone interact. energy: -1.349 local terms energy: -326.523505 where: bonds (distance) C4'-P energy: -61.685 bonds (distance) P-C4' energy: -60.185 flat angles C4'-P-C4' energy: -70.183 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -93.202 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: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1036.281776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.281776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.281776 (E_RNA) where: Base-Base interactions energy: -733.073 where: short stacking energy: -292.018 Base-Backbone interact. energy: -0.617 local terms energy: -302.591870 where: bonds (distance) C4'-P energy: -55.189 bonds (distance) P-C4' energy: -52.140 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -88.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -975.787853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.787853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.787853 (E_RNA) where: Base-Base interactions energy: -694.250 where: short stacking energy: -284.924 Base-Backbone interact. energy: 1.135 local terms energy: -282.672336 where: bonds (distance) C4'-P energy: -50.372 bonds (distance) P-C4' energy: -53.913 flat angles C4'-P-C4' energy: -59.115 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -72.773 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: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -920.064112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.064112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.064112 (E_RNA) where: Base-Base interactions energy: -618.325 where: short stacking energy: -272.845 Base-Backbone interact. energy: -0.163 local terms energy: -301.576005 where: bonds (distance) C4'-P energy: -54.591 bonds (distance) P-C4' energy: -60.355 flat angles C4'-P-C4' energy: -66.132 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -79.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -828.069644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.069644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.069644 (E_RNA) where: Base-Base interactions energy: -560.461 where: short stacking energy: -263.849 Base-Backbone interact. energy: 1.661 local terms energy: -269.270324 where: bonds (distance) C4'-P energy: -51.269 bonds (distance) P-C4' energy: -63.552 flat angles C4'-P-C4' energy: -55.804 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: -68.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -847.597440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.597440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.597440 (E_RNA) where: Base-Base interactions energy: -602.778 where: short stacking energy: -243.844 Base-Backbone interact. energy: -0.088 local terms energy: -244.731566 where: bonds (distance) C4'-P energy: -34.761 bonds (distance) P-C4' energy: -52.823 flat angles C4'-P-C4' energy: -58.605 flat angles P-C4'-P energy: -35.224 tors. eta vs tors. theta energy: -63.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -726.950625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.950625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.950625 (E_RNA) where: Base-Base interactions energy: -494.999 where: short stacking energy: -217.299 Base-Backbone interact. energy: -0.366 local terms energy: -231.585227 where: bonds (distance) C4'-P energy: -45.990 bonds (distance) P-C4' energy: -47.045 flat angles C4'-P-C4' energy: -50.012 flat angles P-C4'-P energy: -41.484 tors. eta vs tors. theta energy: -47.055 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: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -564.549582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.549582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.549582 (E_RNA) where: Base-Base interactions energy: -344.358 where: short stacking energy: -149.935 Base-Backbone interact. energy: 0.770 local terms energy: -220.961420 where: bonds (distance) C4'-P energy: -47.639 bonds (distance) P-C4' energy: -57.193 flat angles C4'-P-C4' energy: -42.450 flat angles P-C4'-P energy: -39.706 tors. eta vs tors. theta energy: -33.974 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: 284 Temperature: 1.300000 Total energy: -488.957269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.957269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.957269 (E_RNA) where: Base-Base interactions energy: -275.651 where: short stacking energy: -133.331 Base-Backbone interact. energy: 1.840 local terms energy: -215.146264 where: bonds (distance) C4'-P energy: -48.078 bonds (distance) P-C4' energy: -65.997 flat angles C4'-P-C4' energy: -55.494 flat angles P-C4'-P energy: -35.022 tors. eta vs tors. theta energy: -10.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -263.508034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.508034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.508034 (E_RNA) where: Base-Base interactions energy: -105.579 where: short stacking energy: -105.126 Base-Backbone interact. energy: -0.750 local terms energy: -157.179523 where: bonds (distance) C4'-P energy: -42.672 bonds (distance) P-C4' energy: -34.314 flat angles C4'-P-C4' energy: -48.864 flat angles P-C4'-P energy: -22.596 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1046.069663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.069663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.069663 (E_RNA) where: Base-Base interactions energy: -717.365 where: short stacking energy: -309.967 Base-Backbone interact. energy: -0.730 local terms energy: -327.974658 where: bonds (distance) C4'-P energy: -59.298 bonds (distance) P-C4' energy: -61.146 flat angles C4'-P-C4' energy: -66.347 flat angles P-C4'-P energy: -51.011 tors. eta vs tors. theta energy: -90.174 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: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1000.716329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.716329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.716329 (E_RNA) where: Base-Base interactions energy: -699.204 where: short stacking energy: -302.213 Base-Backbone interact. energy: -1.375 local terms energy: -300.136560 where: bonds (distance) C4'-P energy: -53.714 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -65.808 flat angles P-C4'-P energy: -40.474 tors. eta vs tors. theta energy: -81.092 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: 3, replica: 4 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1005.364822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.364822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.364822 (E_RNA) where: Base-Base interactions energy: -708.181 where: short stacking energy: -287.724 Base-Backbone interact. energy: -2.270 local terms energy: -294.913574 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -55.795 flat angles C4'-P-C4' energy: -53.490 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -89.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -904.015258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.015258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.015258 (E_RNA) where: Base-Base interactions energy: -614.674 where: short stacking energy: -268.098 Base-Backbone interact. energy: 0.286 local terms energy: -289.627351 where: bonds (distance) C4'-P energy: -49.535 bonds (distance) P-C4' energy: -52.814 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -43.128 tors. eta vs tors. theta energy: -78.317 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: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -840.571532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.571532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.571532 (E_RNA) where: Base-Base interactions energy: -542.547 where: short stacking energy: -258.566 Base-Backbone interact. energy: -0.797 local terms energy: -297.228359 where: bonds (distance) C4'-P energy: -55.634 bonds (distance) P-C4' energy: -57.206 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -40.812 tors. eta vs tors. theta energy: -76.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -795.225699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.225699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.225699 (E_RNA) where: Base-Base interactions energy: -538.749 where: short stacking energy: -254.531 Base-Backbone interact. energy: 0.706 local terms energy: -257.182252 where: bonds (distance) C4'-P energy: -42.862 bonds (distance) P-C4' energy: -50.105 flat angles C4'-P-C4' energy: -59.831 flat angles P-C4'-P energy: -34.422 tors. eta vs tors. theta energy: -69.963 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: 285 Temperature: 1.200000 Total energy: -843.495614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.495614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.495614 (E_RNA) where: Base-Base interactions energy: -590.247 where: short stacking energy: -239.555 Base-Backbone interact. energy: -1.337 local terms energy: -251.911883 where: bonds (distance) C4'-P energy: -40.679 bonds (distance) P-C4' energy: -60.392 flat angles C4'-P-C4' energy: -50.694 flat angles P-C4'-P energy: -43.299 tors. eta vs tors. theta energy: -56.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -542.784789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.784789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.784789 (E_RNA) where: Base-Base interactions energy: -360.699 where: short stacking energy: -167.853 Base-Backbone interact. energy: 1.099 local terms energy: -183.184906 where: bonds (distance) C4'-P energy: -41.497 bonds (distance) P-C4' energy: -43.664 flat angles C4'-P-C4' energy: -46.181 flat angles P-C4'-P energy: -28.538 tors. eta vs tors. theta energy: -23.305 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: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -409.523959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.523959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.523959 (E_RNA) where: Base-Base interactions energy: -233.266 where: short stacking energy: -145.115 Base-Backbone interact. energy: -1.413 local terms energy: -174.845047 where: bonds (distance) C4'-P energy: -45.072 bonds (distance) P-C4' energy: -43.338 flat angles C4'-P-C4' energy: -37.888 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -253.374005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.374005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.374005 (E_RNA) where: Base-Base interactions energy: -84.349 where: short stacking energy: -75.634 Base-Backbone interact. energy: -0.337 local terms energy: -168.687794 where: bonds (distance) C4'-P energy: -58.039 bonds (distance) P-C4' energy: -47.422 flat angles C4'-P-C4' energy: -31.355 flat angles P-C4'-P energy: -30.835 tors. eta vs tors. theta energy: -1.038 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: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1051.991686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.991686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.991686 (E_RNA) where: Base-Base interactions energy: -725.874 where: short stacking energy: -321.005 Base-Backbone interact. energy: -0.566 local terms energy: -325.551773 where: bonds (distance) C4'-P energy: -55.814 bonds (distance) P-C4' energy: -60.790 flat angles C4'-P-C4' energy: -68.906 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -90.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1035.463849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.463849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.463849 (E_RNA) where: Base-Base interactions energy: -732.424 where: short stacking energy: -306.966 Base-Backbone interact. energy: -0.349 local terms energy: -302.690680 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -57.156 flat angles C4'-P-C4' energy: -68.315 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -86.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1013.081248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.081248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.081248 (E_RNA) where: Base-Base interactions energy: -711.616 where: short stacking energy: -295.228 Base-Backbone interact. energy: -1.831 local terms energy: -299.634348 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -49.688 flat angles C4'-P-C4' energy: -69.767 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: -87.437 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: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -903.301017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.301017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.301017 (E_RNA) where: Base-Base interactions energy: -608.601 where: short stacking energy: -270.832 Base-Backbone interact. energy: -1.933 local terms energy: -292.766568 where: bonds (distance) C4'-P energy: -49.638 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -60.337 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -74.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -848.799803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.799803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.799803 (E_RNA) where: Base-Base interactions energy: -584.812 where: short stacking energy: -240.372 Base-Backbone interact. energy: -0.775 local terms energy: -263.213377 where: bonds (distance) C4'-P energy: -48.771 bonds (distance) P-C4' energy: -55.342 flat angles C4'-P-C4' energy: -65.553 flat angles P-C4'-P energy: -33.897 tors. eta vs tors. theta energy: -59.650 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: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -790.298257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.298257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.298257 (E_RNA) where: Base-Base interactions energy: -530.532 where: short stacking energy: -241.290 Base-Backbone interact. energy: -0.570 local terms energy: -259.196325 where: bonds (distance) C4'-P energy: -52.958 bonds (distance) P-C4' energy: -54.806 flat angles C4'-P-C4' energy: -48.884 flat angles P-C4'-P energy: -31.417 tors. eta vs tors. theta energy: -71.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -798.765356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.765356 (E_RNA) where: Base-Base interactions energy: -546.312 where: short stacking energy: -240.450 Base-Backbone interact. energy: 5.550 local terms energy: -258.003560 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -54.340 flat angles C4'-P-C4' energy: -60.104 flat angles P-C4'-P energy: -25.692 tors. eta vs tors. theta energy: -68.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -572.939887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.939887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.939887 (E_RNA) where: Base-Base interactions energy: -362.403 where: short stacking energy: -171.738 Base-Backbone interact. energy: -1.358 local terms energy: -209.178452 where: bonds (distance) C4'-P energy: -43.935 bonds (distance) P-C4' energy: -50.910 flat angles C4'-P-C4' energy: -55.973 flat angles P-C4'-P energy: -27.483 tors. eta vs tors. theta energy: -30.877 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: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -415.964374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.964374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.964374 (E_RNA) where: Base-Base interactions energy: -227.286 where: short stacking energy: -115.516 Base-Backbone interact. energy: -4.535 local terms energy: -184.143194 where: bonds (distance) C4'-P energy: -47.062 bonds (distance) P-C4' energy: -49.774 flat angles C4'-P-C4' energy: -54.402 flat angles P-C4'-P energy: -20.280 tors. eta vs tors. theta energy: -12.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -270.456071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.456071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.456071 (E_RNA) where: Base-Base interactions energy: -103.112 where: short stacking energy: -98.408 Base-Backbone interact. energy: 0.823 local terms energy: -168.167138 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -52.204 flat angles C4'-P-C4' energy: -34.210 flat angles P-C4'-P energy: -22.502 tors. eta vs tors. theta energy: -3.540 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: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1057.582361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.582361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.582361 (E_RNA) where: Base-Base interactions energy: -741.858 where: short stacking energy: -311.125 Base-Backbone interact. energy: -0.489 local terms energy: -315.235183 where: bonds (distance) C4'-P energy: -57.110 bonds (distance) P-C4' energy: -64.766 flat angles C4'-P-C4' energy: -64.541 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -89.174 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: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1013.451243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.451243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.451243 (E_RNA) where: Base-Base interactions energy: -710.719 where: short stacking energy: -304.969 Base-Backbone interact. energy: -1.063 local terms energy: -301.669391 where: bonds (distance) C4'-P energy: -45.758 bonds (distance) P-C4' energy: -60.241 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -84.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1005.773880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.773880 (E_RNA) where: Base-Base interactions energy: -697.813 where: short stacking energy: -296.795 Base-Backbone interact. energy: -1.144 local terms energy: -306.816064 where: bonds (distance) C4'-P energy: -56.765 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -64.724 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -81.974 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: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -913.320586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.320586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.320586 (E_RNA) where: Base-Base interactions energy: -622.601 where: short stacking energy: -282.580 Base-Backbone interact. energy: -0.949 local terms energy: -289.770532 where: bonds (distance) C4'-P energy: -50.348 bonds (distance) P-C4' energy: -56.923 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -40.052 tors. eta vs tors. theta energy: -79.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -856.891572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.891572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.891572 (E_RNA) where: Base-Base interactions energy: -610.834 where: short stacking energy: -233.329 Base-Backbone interact. energy: -1.905 local terms energy: -244.152214 where: bonds (distance) C4'-P energy: -44.343 bonds (distance) P-C4' energy: -40.989 flat angles C4'-P-C4' energy: -58.580 flat angles P-C4'-P energy: -36.433 tors. eta vs tors. theta energy: -63.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -769.659086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.659086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.659086 (E_RNA) where: Base-Base interactions energy: -526.110 where: short stacking energy: -224.791 Base-Backbone interact. energy: -0.998 local terms energy: -242.551059 where: bonds (distance) C4'-P energy: -47.719 bonds (distance) P-C4' energy: -49.542 flat angles C4'-P-C4' energy: -58.002 flat angles P-C4'-P energy: -26.780 tors. eta vs tors. theta energy: -60.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -802.722694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.722694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.722694 (E_RNA) where: Base-Base interactions energy: -555.939 where: short stacking energy: -215.460 Base-Backbone interact. energy: 0.112 local terms energy: -246.895703 where: bonds (distance) C4'-P energy: -50.396 bonds (distance) P-C4' energy: -50.119 flat angles C4'-P-C4' energy: -56.208 flat angles P-C4'-P energy: -27.804 tors. eta vs tors. theta energy: -62.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -582.331466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.331466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.331466 (E_RNA) where: Base-Base interactions energy: -369.306 where: short stacking energy: -173.717 Base-Backbone interact. energy: -1.068 local terms energy: -211.957471 where: bonds (distance) C4'-P energy: -40.039 bonds (distance) P-C4' energy: -49.414 flat angles C4'-P-C4' energy: -55.930 flat angles P-C4'-P energy: -30.824 tors. eta vs tors. theta energy: -35.750 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: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -393.878683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.878683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.878683 (E_RNA) where: Base-Base interactions energy: -204.115 where: short stacking energy: -114.760 Base-Backbone interact. energy: -1.888 local terms energy: -187.875664 where: bonds (distance) C4'-P energy: -47.868 bonds (distance) P-C4' energy: -45.807 flat angles C4'-P-C4' energy: -58.643 flat angles P-C4'-P energy: -27.001 tors. eta vs tors. theta energy: -8.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -276.608752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.608752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.608752 (E_RNA) where: Base-Base interactions energy: -114.530 where: short stacking energy: -75.111 Base-Backbone interact. energy: 1.168 local terms energy: -163.246431 where: bonds (distance) C4'-P energy: -48.413 bonds (distance) P-C4' energy: -58.215 flat angles C4'-P-C4' energy: -44.574 flat angles P-C4'-P energy: -14.954 tors. eta vs tors. theta energy: 2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1044.451060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.451060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.451060 (E_RNA) where: Base-Base interactions energy: -734.629 where: short stacking energy: -315.623 Base-Backbone interact. energy: -1.165 local terms energy: -308.657081 where: bonds (distance) C4'-P energy: -55.021 bonds (distance) P-C4' energy: -54.262 flat angles C4'-P-C4' energy: -69.086 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -86.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1013.865376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.865376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.865376 (E_RNA) where: Base-Base interactions energy: -692.062 where: short stacking energy: -302.803 Base-Backbone interact. energy: -1.489 local terms energy: -320.315223 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -52.809 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -88.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1022.723259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.723259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.723259 (E_RNA) where: Base-Base interactions energy: -715.212 where: short stacking energy: -295.635 Base-Backbone interact. energy: 1.071 local terms energy: -308.582520 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -68.156 flat angles C4'-P-C4' energy: -55.016 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -84.006 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: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -905.383879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.383879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.383879 (E_RNA) where: Base-Base interactions energy: -624.116 where: short stacking energy: -263.806 Base-Backbone interact. energy: -1.357 local terms energy: -279.911551 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -56.505 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -33.064 tors. eta vs tors. theta energy: -70.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -846.216767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.216767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.216767 (E_RNA) where: Base-Base interactions energy: -571.634 where: short stacking energy: -251.842 Base-Backbone interact. energy: 0.577 local terms energy: -275.160060 where: bonds (distance) C4'-P energy: -54.835 bonds (distance) P-C4' energy: -54.645 flat angles C4'-P-C4' energy: -54.558 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -72.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -759.054315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.054315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.054315 (E_RNA) where: Base-Base interactions energy: -500.345 where: short stacking energy: -237.756 Base-Backbone interact. energy: 1.647 local terms energy: -260.356175 where: bonds (distance) C4'-P energy: -46.395 bonds (distance) P-C4' energy: -58.721 flat angles C4'-P-C4' energy: -53.326 flat angles P-C4'-P energy: -36.559 tors. eta vs tors. theta energy: -65.355 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: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -786.487942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.487942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.487942 (E_RNA) where: Base-Base interactions energy: -535.710 where: short stacking energy: -228.134 Base-Backbone interact. energy: -1.146 local terms energy: -249.632159 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -39.641 flat angles C4'-P-C4' energy: -56.882 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -63.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -596.062248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.062248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.062248 (E_RNA) where: Base-Base interactions energy: -374.326 where: short stacking energy: -183.480 Base-Backbone interact. energy: -0.029 local terms energy: -221.707183 where: bonds (distance) C4'-P energy: -41.985 bonds (distance) P-C4' energy: -60.352 flat angles C4'-P-C4' energy: -54.170 flat angles P-C4'-P energy: -32.263 tors. eta vs tors. theta energy: -32.937 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: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -404.701756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.701756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.701756 (E_RNA) where: Base-Base interactions energy: -223.583 where: short stacking energy: -110.477 Base-Backbone interact. energy: 0.435 local terms energy: -181.553647 where: bonds (distance) C4'-P energy: -45.026 bonds (distance) P-C4' energy: -41.754 flat angles C4'-P-C4' energy: -59.832 flat angles P-C4'-P energy: -18.942 tors. eta vs tors. theta energy: -16.000 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: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -258.239096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.239096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.239096 (E_RNA) where: Base-Base interactions energy: -95.587 where: short stacking energy: -94.591 Base-Backbone interact. energy: -0.481 local terms energy: -162.171080 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -50.063 flat angles C4'-P-C4' energy: -40.231 flat angles P-C4'-P energy: -20.451 tors. eta vs tors. theta energy: 1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1050.742781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.742781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.742781 (E_RNA) where: Base-Base interactions energy: -725.040 where: short stacking energy: -311.204 Base-Backbone interact. energy: -1.719 local terms energy: -323.983883 where: bonds (distance) C4'-P energy: -59.055 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -58.063 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -93.762 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: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1035.731797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.731797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.731797 (E_RNA) where: Base-Base interactions energy: -726.028 where: short stacking energy: -299.064 Base-Backbone interact. energy: -2.937 local terms energy: -306.766394 where: bonds (distance) C4'-P energy: -57.426 bonds (distance) P-C4' energy: -54.685 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -43.027 tors. eta vs tors. theta energy: -83.667 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: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -990.269039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.269039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.269039 (E_RNA) where: Base-Base interactions energy: -695.329 where: short stacking energy: -302.563 Base-Backbone interact. energy: -0.767 local terms energy: -294.173074 where: bonds (distance) C4'-P energy: -49.976 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -84.687 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: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -902.887407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.887407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.887407 (E_RNA) where: Base-Base interactions energy: -614.582 where: short stacking energy: -268.247 Base-Backbone interact. energy: -1.631 local terms energy: -286.674214 where: bonds (distance) C4'-P energy: -48.434 bonds (distance) P-C4' energy: -52.119 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -74.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -828.836378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.836378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.836378 (E_RNA) where: Base-Base interactions energy: -585.388 where: short stacking energy: -236.643 Base-Backbone interact. energy: -2.539 local terms energy: -240.909367 where: bonds (distance) C4'-P energy: -44.869 bonds (distance) P-C4' energy: -43.378 flat angles C4'-P-C4' energy: -55.972 flat angles P-C4'-P energy: -31.811 tors. eta vs tors. theta energy: -64.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -784.692542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.692542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.692542 (E_RNA) where: Base-Base interactions energy: -553.870 where: short stacking energy: -234.793 Base-Backbone interact. energy: -1.220 local terms energy: -229.602197 where: bonds (distance) C4'-P energy: -38.893 bonds (distance) P-C4' energy: -53.415 flat angles C4'-P-C4' energy: -52.564 flat angles P-C4'-P energy: -32.059 tors. eta vs tors. theta energy: -52.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -724.265466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.265466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.265466 (E_RNA) where: Base-Base interactions energy: -475.867 where: short stacking energy: -208.261 Base-Backbone interact. energy: -1.203 local terms energy: -247.195579 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -59.617 flat angles C4'-P-C4' energy: -48.122 flat angles P-C4'-P energy: -34.744 tors. eta vs tors. theta energy: -52.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -573.899465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.899465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.899465 (E_RNA) where: Base-Base interactions energy: -360.766 where: short stacking energy: -165.420 Base-Backbone interact. energy: -0.530 local terms energy: -212.604293 where: bonds (distance) C4'-P energy: -52.081 bonds (distance) P-C4' energy: -46.877 flat angles C4'-P-C4' energy: -46.931 flat angles P-C4'-P energy: -34.142 tors. eta vs tors. theta energy: -32.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -384.043765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.043765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.043765 (E_RNA) where: Base-Base interactions energy: -211.864 where: short stacking energy: -117.931 Base-Backbone interact. energy: -2.503 local terms energy: -169.677042 where: bonds (distance) C4'-P energy: -42.797 bonds (distance) P-C4' energy: -35.998 flat angles C4'-P-C4' energy: -51.788 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -4.425 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: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -255.020715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.020715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.020715 (E_RNA) where: Base-Base interactions energy: -108.752 where: short stacking energy: -81.581 Base-Backbone interact. energy: -1.227 local terms energy: -145.042027 where: bonds (distance) C4'-P energy: -43.045 bonds (distance) P-C4' energy: -42.173 flat angles C4'-P-C4' energy: -40.670 flat angles P-C4'-P energy: -22.241 tors. eta vs tors. theta energy: 3.086 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: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1036.076008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.076008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.076008 (E_RNA) where: Base-Base interactions energy: -713.713 where: short stacking energy: -301.256 Base-Backbone interact. energy: -0.702 local terms energy: -321.660943 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -61.928 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -84.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1031.668697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.668697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.668697 (E_RNA) where: Base-Base interactions energy: -727.955 where: short stacking energy: -313.426 Base-Backbone interact. energy: 1.136 local terms energy: -304.850022 where: bonds (distance) C4'-P energy: -54.077 bonds (distance) P-C4' energy: -62.545 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -34.425 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1006.090694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.090694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.090694 (E_RNA) where: Base-Base interactions energy: -695.710 where: short stacking energy: -310.678 Base-Backbone interact. energy: -0.476 local terms energy: -309.903783 where: bonds (distance) C4'-P energy: -51.362 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -66.423 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: -84.676 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: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -907.180323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.180323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.180323 (E_RNA) where: Base-Base interactions energy: -639.432 where: short stacking energy: -272.791 Base-Backbone interact. energy: -0.980 local terms energy: -266.767687 where: bonds (distance) C4'-P energy: -45.331 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -55.508 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -70.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -873.655880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.655880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.655880 (E_RNA) where: Base-Base interactions energy: -588.930 where: short stacking energy: -250.993 Base-Backbone interact. energy: 2.500 local terms energy: -287.225274 where: bonds (distance) C4'-P energy: -46.386 bonds (distance) P-C4' energy: -65.008 flat angles C4'-P-C4' energy: -63.851 flat angles P-C4'-P energy: -34.244 tors. eta vs tors. theta energy: -77.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -775.775213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.775213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.775213 (E_RNA) where: Base-Base interactions energy: -500.333 where: short stacking energy: -208.632 Base-Backbone interact. energy: -1.672 local terms energy: -273.769770 where: bonds (distance) C4'-P energy: -53.792 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -59.627 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -57.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -738.123309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.123309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.123309 (E_RNA) where: Base-Base interactions energy: -484.662 where: short stacking energy: -212.498 Base-Backbone interact. energy: 0.100 local terms energy: -253.560627 where: bonds (distance) C4'-P energy: -50.070 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -53.915 flat angles P-C4'-P energy: -42.178 tors. eta vs tors. theta energy: -50.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -609.357250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.357250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.357250 (E_RNA) where: Base-Base interactions energy: -377.988 where: short stacking energy: -175.365 Base-Backbone interact. energy: -0.051 local terms energy: -231.317930 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -54.958 flat angles C4'-P-C4' energy: -55.108 flat angles P-C4'-P energy: -37.637 tors. eta vs tors. theta energy: -34.981 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: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -394.932436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.932436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.932436 (E_RNA) where: Base-Base interactions energy: -210.310 where: short stacking energy: -108.023 Base-Backbone interact. energy: 1.525 local terms energy: -186.147527 where: bonds (distance) C4'-P energy: -43.508 bonds (distance) P-C4' energy: -58.615 flat angles C4'-P-C4' energy: -40.737 flat angles P-C4'-P energy: -33.013 tors. eta vs tors. theta energy: -10.275 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: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -273.117654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.117654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.117654 (E_RNA) where: Base-Base interactions energy: -115.756 where: short stacking energy: -86.779 Base-Backbone interact. energy: -0.231 local terms energy: -157.131148 where: bonds (distance) C4'-P energy: -46.215 bonds (distance) P-C4' energy: -53.637 flat angles C4'-P-C4' energy: -43.513 flat angles P-C4'-P energy: -12.570 tors. eta vs tors. theta energy: -1.196 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: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1062.166687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.166687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.166687 (E_RNA) where: Base-Base interactions energy: -753.289 where: short stacking energy: -307.523 Base-Backbone interact. energy: 0.706 local terms energy: -309.583105 where: bonds (distance) C4'-P energy: -48.982 bonds (distance) P-C4' energy: -62.721 flat angles C4'-P-C4' energy: -62.593 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -86.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1014.055417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.055417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.055417 (E_RNA) where: Base-Base interactions energy: -712.446 where: short stacking energy: -313.266 Base-Backbone interact. energy: 0.763 local terms energy: -302.372708 where: bonds (distance) C4'-P energy: -54.604 bonds (distance) P-C4' energy: -56.359 flat angles C4'-P-C4' energy: -63.505 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -88.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1008.265269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.265269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.265269 (E_RNA) where: Base-Base interactions energy: -699.504 where: short stacking energy: -293.747 Base-Backbone interact. energy: -1.885 local terms energy: -306.875525 where: bonds (distance) C4'-P energy: -51.622 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -62.244 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -86.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -885.627705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.627705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.627705 (E_RNA) where: Base-Base interactions energy: -593.272 where: short stacking energy: -254.416 Base-Backbone interact. energy: -0.546 local terms energy: -291.810160 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -58.579 flat angles C4'-P-C4' energy: -61.330 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -67.237 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: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -853.115212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.115212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.115212 (E_RNA) where: Base-Base interactions energy: -572.471 where: short stacking energy: -237.938 Base-Backbone interact. energy: -1.044 local terms energy: -279.600071 where: bonds (distance) C4'-P energy: -51.522 bonds (distance) P-C4' energy: -63.515 flat angles C4'-P-C4' energy: -58.144 flat angles P-C4'-P energy: -36.668 tors. eta vs tors. theta energy: -69.751 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: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -849.913418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.913418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.913418 (E_RNA) where: Base-Base interactions energy: -588.405 where: short stacking energy: -265.435 Base-Backbone interact. energy: -0.946 local terms energy: -260.563257 where: bonds (distance) C4'-P energy: -50.645 bonds (distance) P-C4' energy: -47.465 flat angles C4'-P-C4' energy: -54.938 flat angles P-C4'-P energy: -27.701 tors. eta vs tors. theta energy: -79.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -759.087152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.087152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.087152 (E_RNA) where: Base-Base interactions energy: -511.226 where: short stacking energy: -232.314 Base-Backbone interact. energy: -1.683 local terms energy: -246.178543 where: bonds (distance) C4'-P energy: -46.665 bonds (distance) P-C4' energy: -47.589 flat angles C4'-P-C4' energy: -51.173 flat angles P-C4'-P energy: -34.155 tors. eta vs tors. theta energy: -66.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -609.506857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.506857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.506857 (E_RNA) where: Base-Base interactions energy: -393.381 where: short stacking energy: -194.104 Base-Backbone interact. energy: 1.464 local terms energy: -217.589574 where: bonds (distance) C4'-P energy: -43.473 bonds (distance) P-C4' energy: -51.812 flat angles C4'-P-C4' energy: -51.182 flat angles P-C4'-P energy: -32.813 tors. eta vs tors. theta energy: -38.310 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -399.628350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.628350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.628350 (E_RNA) where: Base-Base interactions energy: -227.886 where: short stacking energy: -131.227 Base-Backbone interact. energy: 1.417 local terms energy: -173.159477 where: bonds (distance) C4'-P energy: -46.409 bonds (distance) P-C4' energy: -49.710 flat angles C4'-P-C4' energy: -41.911 flat angles P-C4'-P energy: -34.200 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -261.077550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.077550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.077550 (E_RNA) where: Base-Base interactions energy: -94.606 where: short stacking energy: -73.980 Base-Backbone interact. energy: -0.726 local terms energy: -165.745879 where: bonds (distance) C4'-P energy: -46.399 bonds (distance) P-C4' energy: -55.688 flat angles C4'-P-C4' energy: -41.152 flat angles P-C4'-P energy: -19.687 tors. eta vs tors. theta energy: -2.820 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: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1057.977967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.977967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.977967 (E_RNA) where: Base-Base interactions energy: -746.344 where: short stacking energy: -316.572 Base-Backbone interact. energy: -0.991 local terms energy: -310.642768 where: bonds (distance) C4'-P energy: -57.867 bonds (distance) P-C4' energy: -62.099 flat angles C4'-P-C4' energy: -62.541 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: -91.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1010.784404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.784404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.784404 (E_RNA) where: Base-Base interactions energy: -694.775 where: short stacking energy: -303.893 Base-Backbone interact. energy: -1.435 local terms energy: -314.573661 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -56.308 flat angles C4'-P-C4' energy: -67.140 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -89.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -994.309622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.309622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.309622 (E_RNA) where: Base-Base interactions energy: -700.070 where: short stacking energy: -306.077 Base-Backbone interact. energy: -0.968 local terms energy: -293.271692 where: bonds (distance) C4'-P energy: -59.386 bonds (distance) P-C4' energy: -53.068 flat angles C4'-P-C4' energy: -54.550 flat angles P-C4'-P energy: -38.818 tors. eta vs tors. theta energy: -87.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -858.584286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.584286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.584286 (E_RNA) where: Base-Base interactions energy: -597.848 where: short stacking energy: -266.143 Base-Backbone interact. energy: 3.529 local terms energy: -264.265100 where: bonds (distance) C4'-P energy: -54.233 bonds (distance) P-C4' energy: -52.837 flat angles C4'-P-C4' energy: -52.308 flat angles P-C4'-P energy: -34.591 tors. eta vs tors. theta energy: -70.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -869.651605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.651605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.651605 (E_RNA) where: Base-Base interactions energy: -582.226 where: short stacking energy: -236.181 Base-Backbone interact. energy: -0.693 local terms energy: -286.732679 where: bonds (distance) C4'-P energy: -48.244 bonds (distance) P-C4' energy: -66.700 flat angles C4'-P-C4' energy: -53.305 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: -78.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -803.500938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.500938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.500938 (E_RNA) where: Base-Base interactions energy: -541.479 where: short stacking energy: -226.106 Base-Backbone interact. energy: -1.912 local terms energy: -260.110036 where: bonds (distance) C4'-P energy: -46.914 bonds (distance) P-C4' energy: -56.842 flat angles C4'-P-C4' energy: -54.116 flat angles P-C4'-P energy: -36.912 tors. eta vs tors. theta energy: -65.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -710.680880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.680880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.680880 (E_RNA) where: Base-Base interactions energy: -439.902 where: short stacking energy: -204.382 Base-Backbone interact. energy: -1.084 local terms energy: -269.694863 where: bonds (distance) C4'-P energy: -57.339 bonds (distance) P-C4' energy: -60.780 flat angles C4'-P-C4' energy: -56.734 flat angles P-C4'-P energy: -41.742 tors. eta vs tors. theta energy: -53.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -588.729082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.729082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.729082 (E_RNA) where: Base-Base interactions energy: -353.394 where: short stacking energy: -173.963 Base-Backbone interact. energy: -1.532 local terms energy: -233.802969 where: bonds (distance) C4'-P energy: -58.095 bonds (distance) P-C4' energy: -55.755 flat angles C4'-P-C4' energy: -52.835 flat angles P-C4'-P energy: -28.861 tors. eta vs tors. theta energy: -38.256 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: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -458.132135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.132135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.132135 (E_RNA) where: Base-Base interactions energy: -278.707 where: short stacking energy: -156.894 Base-Backbone interact. energy: -1.006 local terms energy: -178.419015 where: bonds (distance) C4'-P energy: -21.543 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -47.244 flat angles P-C4'-P energy: -25.608 tors. eta vs tors. theta energy: -24.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -269.238084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.238084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.238084 (E_RNA) where: Base-Base interactions energy: -105.939 where: short stacking energy: -98.186 Base-Backbone interact. energy: 2.656 local terms energy: -165.954314 where: bonds (distance) C4'-P energy: -49.360 bonds (distance) P-C4' energy: -42.253 flat angles C4'-P-C4' energy: -39.660 flat angles P-C4'-P energy: -31.467 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1054.988404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.988404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.988404 (E_RNA) where: Base-Base interactions energy: -739.851 where: short stacking energy: -322.114 Base-Backbone interact. energy: -0.343 local terms energy: -314.795161 where: bonds (distance) C4'-P energy: -53.569 bonds (distance) P-C4' energy: -54.812 flat angles C4'-P-C4' energy: -70.269 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: -93.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1015.567865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.567865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.567865 (E_RNA) where: Base-Base interactions energy: -706.091 where: short stacking energy: -280.596 Base-Backbone interact. energy: -0.548 local terms energy: -308.928277 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -57.215 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: -87.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1009.502535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.502535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.502535 (E_RNA) where: Base-Base interactions energy: -706.296 where: short stacking energy: -303.590 Base-Backbone interact. energy: -0.538 local terms energy: -302.668708 where: bonds (distance) C4'-P energy: -62.520 bonds (distance) P-C4' energy: -48.621 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -38.516 tors. eta vs tors. theta energy: -86.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -877.470465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.470465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.470465 (E_RNA) where: Base-Base interactions energy: -598.232 where: short stacking energy: -245.882 Base-Backbone interact. energy: -1.594 local terms energy: -277.643692 where: bonds (distance) C4'-P energy: -51.411 bonds (distance) P-C4' energy: -57.053 flat angles C4'-P-C4' energy: -58.282 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -71.985 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: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -858.737337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.737337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.737337 (E_RNA) where: Base-Base interactions energy: -583.487 where: short stacking energy: -243.581 Base-Backbone interact. energy: -1.019 local terms energy: -274.230907 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -59.078 flat angles C4'-P-C4' energy: -51.075 flat angles P-C4'-P energy: -36.974 tors. eta vs tors. theta energy: -73.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -820.043303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.043303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.043303 (E_RNA) where: Base-Base interactions energy: -552.716 where: short stacking energy: -218.987 Base-Backbone interact. energy: 0.988 local terms energy: -268.315060 where: bonds (distance) C4'-P energy: -52.118 bonds (distance) P-C4' energy: -56.357 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -28.669 tors. eta vs tors. theta energy: -66.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -721.406333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.406333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.406333 (E_RNA) where: Base-Base interactions energy: -461.790 where: short stacking energy: -217.457 Base-Backbone interact. energy: -0.475 local terms energy: -259.140919 where: bonds (distance) C4'-P energy: -51.272 bonds (distance) P-C4' energy: -59.150 flat angles C4'-P-C4' energy: -55.941 flat angles P-C4'-P energy: -30.216 tors. eta vs tors. theta energy: -62.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -619.016645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.016645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.016645 (E_RNA) where: Base-Base interactions energy: -389.966 where: short stacking energy: -182.211 Base-Backbone interact. energy: 0.544 local terms energy: -229.593814 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -56.568 flat angles C4'-P-C4' energy: -49.777 flat angles P-C4'-P energy: -31.424 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: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -433.995306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.995306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.995306 (E_RNA) where: Base-Base interactions energy: -241.304 where: short stacking energy: -144.277 Base-Backbone interact. energy: -3.974 local terms energy: -188.717424 where: bonds (distance) C4'-P energy: -41.938 bonds (distance) P-C4' energy: -60.801 flat angles C4'-P-C4' energy: -32.296 flat angles P-C4'-P energy: -34.963 tors. eta vs tors. theta energy: -18.720 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: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -256.914831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.914831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.914831 (E_RNA) where: Base-Base interactions energy: -92.931 where: short stacking energy: -86.628 Base-Backbone interact. energy: 2.731 local terms energy: -166.714292 where: bonds (distance) C4'-P energy: -46.639 bonds (distance) P-C4' energy: -56.603 flat angles C4'-P-C4' energy: -43.211 flat angles P-C4'-P energy: -24.649 tors. eta vs tors. theta energy: 4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1064.252617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.252617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.252617 (E_RNA) where: Base-Base interactions energy: -742.396 where: short stacking energy: -323.489 Base-Backbone interact. energy: -0.064 local terms energy: -321.792319 where: bonds (distance) C4'-P energy: -60.583 bonds (distance) P-C4' energy: -62.413 flat angles C4'-P-C4' energy: -63.055 flat angles P-C4'-P energy: -44.355 tors. eta vs tors. theta energy: -91.387 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: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1007.612031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.612031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.612031 (E_RNA) where: Base-Base interactions energy: -707.012 where: short stacking energy: -299.524 Base-Backbone interact. energy: 0.430 local terms energy: -301.030326 where: bonds (distance) C4'-P energy: -46.858 bonds (distance) P-C4' energy: -55.805 flat angles C4'-P-C4' energy: -66.158 flat angles P-C4'-P energy: -43.209 tors. eta vs tors. theta energy: -89.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1007.238681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.238681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.238681 (E_RNA) where: Base-Base interactions energy: -706.985 where: short stacking energy: -298.957 Base-Backbone interact. energy: 0.296 local terms energy: -300.549252 where: bonds (distance) C4'-P energy: -43.574 bonds (distance) P-C4' energy: -60.714 flat angles C4'-P-C4' energy: -68.218 flat angles P-C4'-P energy: -40.742 tors. eta vs tors. theta energy: -87.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -897.559095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.559095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.559095 (E_RNA) where: Base-Base interactions energy: -607.128 where: short stacking energy: -252.141 Base-Backbone interact. energy: -0.265 local terms energy: -290.166414 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -59.393 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -76.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -859.416585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.416585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.416585 (E_RNA) where: Base-Base interactions energy: -579.955 where: short stacking energy: -251.528 Base-Backbone interact. energy: 3.586 local terms energy: -283.048162 where: bonds (distance) C4'-P energy: -52.909 bonds (distance) P-C4' energy: -64.912 flat angles C4'-P-C4' energy: -61.386 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -66.826 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: 294 Temperature: 1.150000 Total energy: -833.892154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.892154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.892154 (E_RNA) where: Base-Base interactions energy: -570.321 where: short stacking energy: -237.439 Base-Backbone interact. energy: 0.875 local terms energy: -264.445968 where: bonds (distance) C4'-P energy: -44.458 bonds (distance) P-C4' energy: -55.640 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -34.058 tors. eta vs tors. theta energy: -70.397 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: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -711.985312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.985312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.985312 (E_RNA) where: Base-Base interactions energy: -470.297 where: short stacking energy: -221.892 Base-Backbone interact. energy: 1.635 local terms energy: -243.323731 where: bonds (distance) C4'-P energy: -51.541 bonds (distance) P-C4' energy: -48.404 flat angles C4'-P-C4' energy: -49.691 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: -58.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -640.670275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.670275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.670275 (E_RNA) where: Base-Base interactions energy: -413.914 where: short stacking energy: -203.262 Base-Backbone interact. energy: 2.442 local terms energy: -229.198304 where: bonds (distance) C4'-P energy: -54.440 bonds (distance) P-C4' energy: -48.988 flat angles C4'-P-C4' energy: -57.637 flat angles P-C4'-P energy: -34.268 tors. eta vs tors. theta energy: -33.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -420.771827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.771827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.771827 (E_RNA) where: Base-Base interactions energy: -238.313 where: short stacking energy: -121.626 Base-Backbone interact. energy: -1.250 local terms energy: -181.209558 where: bonds (distance) C4'-P energy: -47.102 bonds (distance) P-C4' energy: -46.027 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -23.984 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -248.981129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.981129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.981129 (E_RNA) where: Base-Base interactions energy: -81.312 where: short stacking energy: -61.393 Base-Backbone interact. energy: -1.437 local terms energy: -166.231969 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -48.257 flat angles C4'-P-C4' energy: -41.296 flat angles P-C4'-P energy: -28.681 tors. eta vs tors. theta energy: 8.974 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: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1079.632283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.632283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.632283 (E_RNA) where: Base-Base interactions energy: -736.845 where: short stacking energy: -300.704 Base-Backbone interact. energy: 0.967 local terms energy: -343.754552 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -71.847 flat angles C4'-P-C4' energy: -68.993 flat angles P-C4'-P energy: -47.377 tors. eta vs tors. theta energy: -92.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -995.501167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.501167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.501167 (E_RNA) where: Base-Base interactions energy: -694.125 where: short stacking energy: -281.783 Base-Backbone interact. energy: -0.668 local terms energy: -300.707911 where: bonds (distance) C4'-P energy: -46.638 bonds (distance) P-C4' energy: -59.106 flat angles C4'-P-C4' energy: -67.991 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: -86.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1005.125133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.125133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.125133 (E_RNA) where: Base-Base interactions energy: -695.026 where: short stacking energy: -284.176 Base-Backbone interact. energy: -0.477 local terms energy: -309.622319 where: bonds (distance) C4'-P energy: -42.017 bonds (distance) P-C4' energy: -63.741 flat angles C4'-P-C4' energy: -71.208 flat angles P-C4'-P energy: -41.117 tors. eta vs tors. theta energy: -91.539 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: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -896.201588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.201588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.201588 (E_RNA) where: Base-Base interactions energy: -600.025 where: short stacking energy: -267.060 Base-Backbone interact. energy: -3.038 local terms energy: -293.139282 where: bonds (distance) C4'-P energy: -50.229 bonds (distance) P-C4' energy: -58.565 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -80.406 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: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -849.336099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.336099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.336099 (E_RNA) where: Base-Base interactions energy: -568.882 where: short stacking energy: -235.917 Base-Backbone interact. energy: -1.613 local terms energy: -278.841862 where: bonds (distance) C4'-P energy: -50.078 bonds (distance) P-C4' energy: -55.277 flat angles C4'-P-C4' energy: -56.808 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -73.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -842.517064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.517064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.517064 (E_RNA) where: Base-Base interactions energy: -558.761 where: short stacking energy: -248.658 Base-Backbone interact. energy: -0.974 local terms energy: -282.782406 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -55.119 flat angles C4'-P-C4' energy: -59.336 flat angles P-C4'-P energy: -41.481 tors. eta vs tors. theta energy: -70.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -702.363406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.363406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.363406 (E_RNA) where: Base-Base interactions energy: -455.441 where: short stacking energy: -201.771 Base-Backbone interact. energy: -1.178 local terms energy: -245.744296 where: bonds (distance) C4'-P energy: -50.460 bonds (distance) P-C4' energy: -48.567 flat angles C4'-P-C4' energy: -57.487 flat angles P-C4'-P energy: -38.490 tors. eta vs tors. theta energy: -50.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -560.956650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.956650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.956650 (E_RNA) where: Base-Base interactions energy: -337.091 where: short stacking energy: -167.432 Base-Backbone interact. energy: -1.862 local terms energy: -222.004239 where: bonds (distance) C4'-P energy: -55.316 bonds (distance) P-C4' energy: -45.573 flat angles C4'-P-C4' energy: -58.514 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -24.627 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: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -397.618348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.618348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.618348 (E_RNA) where: Base-Base interactions energy: -214.282 where: short stacking energy: -121.704 Base-Backbone interact. energy: 0.502 local terms energy: -183.837926 where: bonds (distance) C4'-P energy: -32.458 bonds (distance) P-C4' energy: -58.803 flat angles C4'-P-C4' energy: -45.499 flat angles P-C4'-P energy: -29.903 tors. eta vs tors. theta energy: -17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -234.061068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.061068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.061068 (E_RNA) where: Base-Base interactions energy: -70.978 where: short stacking energy: -64.224 Base-Backbone interact. energy: -1.201 local terms energy: -161.882006 where: bonds (distance) C4'-P energy: -47.155 bonds (distance) P-C4' energy: -52.941 flat angles C4'-P-C4' energy: -40.375 flat angles P-C4'-P energy: -31.764 tors. eta vs tors. theta energy: 10.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1070.352438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.352438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.352438 (E_RNA) where: Base-Base interactions energy: -752.428 where: short stacking energy: -312.893 Base-Backbone interact. energy: 1.507 local terms energy: -319.431732 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -57.572 flat angles C4'-P-C4' energy: -71.379 flat angles P-C4'-P energy: -44.348 tors. eta vs tors. theta energy: -87.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1020.134536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.134536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.134536 (E_RNA) where: Base-Base interactions energy: -706.598 where: short stacking energy: -299.617 Base-Backbone interact. energy: -0.645 local terms energy: -312.892140 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -58.743 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -81.449 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: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -999.871578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.871578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.871578 (E_RNA) where: Base-Base interactions energy: -699.315 where: short stacking energy: -288.480 Base-Backbone interact. energy: -0.076 local terms energy: -300.481033 where: bonds (distance) C4'-P energy: -47.099 bonds (distance) P-C4' energy: -64.047 flat angles C4'-P-C4' energy: -61.965 flat angles P-C4'-P energy: -43.396 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: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -932.292569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.292569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.292569 (E_RNA) where: Base-Base interactions energy: -643.960 where: short stacking energy: -282.901 Base-Backbone interact. energy: 1.976 local terms energy: -290.309328 where: bonds (distance) C4'-P energy: -52.740 bonds (distance) P-C4' energy: -52.904 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -37.056 tors. eta vs tors. theta energy: -81.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -861.222053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.222053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.222053 (E_RNA) where: Base-Base interactions energy: -588.339 where: short stacking energy: -265.119 Base-Backbone interact. energy: -0.186 local terms energy: -272.696776 where: bonds (distance) C4'-P energy: -53.794 bonds (distance) P-C4' energy: -49.060 flat angles C4'-P-C4' energy: -55.956 flat angles P-C4'-P energy: -41.448 tors. eta vs tors. theta energy: -72.440 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: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -854.427856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.427856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.427856 (E_RNA) where: Base-Base interactions energy: -581.655 where: short stacking energy: -256.265 Base-Backbone interact. energy: -1.252 local terms energy: -271.520886 where: bonds (distance) C4'-P energy: -56.598 bonds (distance) P-C4' energy: -49.438 flat angles C4'-P-C4' energy: -54.843 flat angles P-C4'-P energy: -35.059 tors. eta vs tors. theta energy: -75.584 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: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -727.637992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.637992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.637992 (E_RNA) where: Base-Base interactions energy: -489.670 where: short stacking energy: -226.717 Base-Backbone interact. energy: -0.336 local terms energy: -237.631949 where: bonds (distance) C4'-P energy: -38.085 bonds (distance) P-C4' energy: -50.969 flat angles C4'-P-C4' energy: -50.870 flat angles P-C4'-P energy: -35.242 tors. eta vs tors. theta energy: -62.466 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: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -518.520760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.520760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.520760 (E_RNA) where: Base-Base interactions energy: -309.403 where: short stacking energy: -160.985 Base-Backbone interact. energy: -0.335 local terms energy: -208.783156 where: bonds (distance) C4'-P energy: -44.916 bonds (distance) P-C4' energy: -51.831 flat angles C4'-P-C4' energy: -50.359 flat angles P-C4'-P energy: -34.574 tors. eta vs tors. theta energy: -27.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -386.430822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.430822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.430822 (E_RNA) where: Base-Base interactions energy: -205.112 where: short stacking energy: -107.482 Base-Backbone interact. energy: 0.039 local terms energy: -181.358330 where: bonds (distance) C4'-P energy: -47.282 bonds (distance) P-C4' energy: -50.159 flat angles C4'-P-C4' energy: -41.301 flat angles P-C4'-P energy: -33.859 tors. eta vs tors. theta energy: -8.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -242.354434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.354434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.354434 (E_RNA) where: Base-Base interactions energy: -98.559 where: short stacking energy: -85.028 Base-Backbone interact. energy: 4.398 local terms energy: -148.193705 where: bonds (distance) C4'-P energy: -45.354 bonds (distance) P-C4' energy: -39.669 flat angles C4'-P-C4' energy: -35.955 flat angles P-C4'-P energy: -25.921 tors. eta vs tors. theta energy: -1.294 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: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1081.433907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.433907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.433907 (E_RNA) where: Base-Base interactions energy: -753.475 where: short stacking energy: -326.024 Base-Backbone interact. energy: -1.840 local terms energy: -326.119017 where: bonds (distance) C4'-P energy: -46.295 bonds (distance) P-C4' energy: -62.087 flat angles C4'-P-C4' energy: -69.004 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -97.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1019.734302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.734302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.734302 (E_RNA) where: Base-Base interactions energy: -711.052 where: short stacking energy: -307.844 Base-Backbone interact. energy: 0.270 local terms energy: -308.951714 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -59.633 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: -85.375 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: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1007.093531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.093531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.093531 (E_RNA) where: Base-Base interactions energy: -702.834 where: short stacking energy: -285.434 Base-Backbone interact. energy: -1.109 local terms energy: -303.150523 where: bonds (distance) C4'-P energy: -60.552 bonds (distance) P-C4' energy: -56.746 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -36.792 tors. eta vs tors. theta energy: -88.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -915.289999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.289999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.289999 (E_RNA) where: Base-Base interactions energy: -622.804 where: short stacking energy: -288.114 Base-Backbone interact. energy: -0.444 local terms energy: -292.041207 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -52.819 flat angles C4'-P-C4' energy: -65.406 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -85.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -857.580590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.580590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.580590 (E_RNA) where: Base-Base interactions energy: -582.645 where: short stacking energy: -258.734 Base-Backbone interact. energy: 1.133 local terms energy: -276.068099 where: bonds (distance) C4'-P energy: -50.049 bonds (distance) P-C4' energy: -52.363 flat angles C4'-P-C4' energy: -62.107 flat angles P-C4'-P energy: -34.205 tors. eta vs tors. theta energy: -77.344 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: 297 Temperature: 1.150000 Total energy: -802.752060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.752060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.752060 (E_RNA) where: Base-Base interactions energy: -521.591 where: short stacking energy: -227.113 Base-Backbone interact. energy: -2.879 local terms energy: -278.282539 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -60.111 flat angles P-C4'-P energy: -38.969 tors. eta vs tors. theta energy: -67.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -719.379463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.379463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.379463 (E_RNA) where: Base-Base interactions energy: -479.797 where: short stacking energy: -235.742 Base-Backbone interact. energy: -0.956 local terms energy: -238.625991 where: bonds (distance) C4'-P energy: -41.630 bonds (distance) P-C4' energy: -43.294 flat angles C4'-P-C4' energy: -56.791 flat angles P-C4'-P energy: -36.389 tors. eta vs tors. theta energy: -60.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -530.461339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.461339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.461339 (E_RNA) where: Base-Base interactions energy: -332.369 where: short stacking energy: -159.653 Base-Backbone interact. energy: -0.269 local terms energy: -197.823559 where: bonds (distance) C4'-P energy: -46.844 bonds (distance) P-C4' energy: -48.537 flat angles C4'-P-C4' energy: -51.000 flat angles P-C4'-P energy: -30.880 tors. eta vs tors. theta energy: -20.562 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: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -403.863744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.863744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.863744 (E_RNA) where: Base-Base interactions energy: -229.090 where: short stacking energy: -127.518 Base-Backbone interact. energy: -0.791 local terms energy: -173.982711 where: bonds (distance) C4'-P energy: -48.976 bonds (distance) P-C4' energy: -33.767 flat angles C4'-P-C4' energy: -44.958 flat angles P-C4'-P energy: -32.480 tors. eta vs tors. theta energy: -13.802 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: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -254.931878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.931878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.931878 (E_RNA) where: Base-Base interactions energy: -99.337 where: short stacking energy: -82.575 Base-Backbone interact. energy: -0.186 local terms energy: -155.408762 where: bonds (distance) C4'-P energy: -41.514 bonds (distance) P-C4' energy: -58.048 flat angles C4'-P-C4' energy: -47.121 flat angles P-C4'-P energy: -17.415 tors. eta vs tors. theta energy: 8.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1081.333771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.333771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.333771 (E_RNA) where: Base-Base interactions energy: -747.879 where: short stacking energy: -315.790 Base-Backbone interact. energy: -0.595 local terms energy: -332.859332 where: bonds (distance) C4'-P energy: -60.879 bonds (distance) P-C4' energy: -59.809 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -47.896 tors. eta vs tors. theta energy: -99.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1024.055442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.055442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.055442 (E_RNA) where: Base-Base interactions energy: -709.651 where: short stacking energy: -296.238 Base-Backbone interact. energy: -1.644 local terms energy: -312.760397 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -56.109 flat angles C4'-P-C4' energy: -65.569 flat angles P-C4'-P energy: -46.764 tors. eta vs tors. theta energy: -83.198 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: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1022.342399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.342399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.342399 (E_RNA) where: Base-Base interactions energy: -724.407 where: short stacking energy: -302.001 Base-Backbone interact. energy: -2.155 local terms energy: -295.780789 where: bonds (distance) C4'-P energy: -55.322 bonds (distance) P-C4' energy: -53.536 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -39.962 tors. eta vs tors. theta energy: -86.077 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: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -928.972319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.972319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.972319 (E_RNA) where: Base-Base interactions energy: -637.438 where: short stacking energy: -283.665 Base-Backbone interact. energy: -0.696 local terms energy: -290.837813 where: bonds (distance) C4'-P energy: -57.084 bonds (distance) P-C4' energy: -53.135 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -39.505 tors. eta vs tors. theta energy: -79.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -847.077042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.077042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.077042 (E_RNA) where: Base-Base interactions energy: -574.770 where: short stacking energy: -251.797 Base-Backbone interact. energy: -0.589 local terms energy: -271.718728 where: bonds (distance) C4'-P energy: -48.478 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -61.815 flat angles P-C4'-P energy: -36.486 tors. eta vs tors. theta energy: -68.611 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: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -819.638928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.638928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.638928 (E_RNA) where: Base-Base interactions energy: -550.746 where: short stacking energy: -223.042 Base-Backbone interact. energy: -2.818 local terms energy: -266.074821 where: bonds (distance) C4'-P energy: -55.851 bonds (distance) P-C4' energy: -50.181 flat angles C4'-P-C4' energy: -60.676 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: -64.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -699.774017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.774017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.774017 (E_RNA) where: Base-Base interactions energy: -450.613 where: short stacking energy: -198.711 Base-Backbone interact. energy: -0.753 local terms energy: -248.407979 where: bonds (distance) C4'-P energy: -57.097 bonds (distance) P-C4' energy: -61.846 flat angles C4'-P-C4' energy: -40.271 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: -53.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -558.363797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.363797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.363797 (E_RNA) where: Base-Base interactions energy: -345.184 where: short stacking energy: -185.599 Base-Backbone interact. energy: 0.056 local terms energy: -213.235507 where: bonds (distance) C4'-P energy: -38.587 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -52.025 flat angles P-C4'-P energy: -35.821 tors. eta vs tors. theta energy: -36.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -409.197199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.197199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.197199 (E_RNA) where: Base-Base interactions energy: -259.181 where: short stacking energy: -123.059 Base-Backbone interact. energy: 2.750 local terms energy: -152.766040 where: bonds (distance) C4'-P energy: -40.160 bonds (distance) P-C4' energy: -35.896 flat angles C4'-P-C4' energy: -42.742 flat angles P-C4'-P energy: -27.862 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -268.510892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.510892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.510892 (E_RNA) where: Base-Base interactions energy: -114.995 where: short stacking energy: -86.698 Base-Backbone interact. energy: -0.696 local terms energy: -152.820270 where: bonds (distance) C4'-P energy: -38.477 bonds (distance) P-C4' energy: -52.867 flat angles C4'-P-C4' energy: -38.181 flat angles P-C4'-P energy: -29.312 tors. eta vs tors. theta energy: 6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1066.088568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.088568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.088568 (E_RNA) where: Base-Base interactions energy: -743.327 where: short stacking energy: -324.237 Base-Backbone interact. energy: -0.567 local terms energy: -322.195092 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -64.260 flat angles C4'-P-C4' energy: -61.832 flat angles P-C4'-P energy: -42.445 tors. eta vs tors. theta energy: -93.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1037.853875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.853875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.853875 (E_RNA) where: Base-Base interactions energy: -731.603 where: short stacking energy: -298.279 Base-Backbone interact. energy: 2.495 local terms energy: -308.745910 where: bonds (distance) C4'-P energy: -56.562 bonds (distance) P-C4' energy: -59.779 flat angles C4'-P-C4' energy: -64.688 flat angles P-C4'-P energy: -41.990 tors. eta vs tors. theta energy: -85.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -997.292875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.292875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.292875 (E_RNA) where: Base-Base interactions energy: -694.069 where: short stacking energy: -301.603 Base-Backbone interact. energy: 0.817 local terms energy: -304.040633 where: bonds (distance) C4'-P energy: -61.378 bonds (distance) P-C4' energy: -60.405 flat angles C4'-P-C4' energy: -64.527 flat angles P-C4'-P energy: -34.505 tors. eta vs tors. theta energy: -83.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -910.416874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.416874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.416874 (E_RNA) where: Base-Base interactions energy: -638.435 where: short stacking energy: -258.682 Base-Backbone interact. energy: 2.145 local terms energy: -274.126400 where: bonds (distance) C4'-P energy: -49.093 bonds (distance) P-C4' energy: -54.323 flat angles C4'-P-C4' energy: -57.140 flat angles P-C4'-P energy: -40.230 tors. eta vs tors. theta energy: -73.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -866.075547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.075547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.075547 (E_RNA) where: Base-Base interactions energy: -601.015 where: short stacking energy: -257.038 Base-Backbone interact. energy: 0.907 local terms energy: -265.968121 where: bonds (distance) C4'-P energy: -46.958 bonds (distance) P-C4' energy: -51.659 flat angles C4'-P-C4' energy: -59.082 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -66.782 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: 299 Temperature: 1.150000 Total energy: -856.127437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.127437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.127437 (E_RNA) where: Base-Base interactions energy: -597.904 where: short stacking energy: -243.329 Base-Backbone interact. energy: 3.562 local terms energy: -261.785058 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -46.512 flat angles C4'-P-C4' energy: -56.010 flat angles P-C4'-P energy: -35.795 tors. eta vs tors. theta energy: -65.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -721.024730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.024730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.024730 (E_RNA) where: Base-Base interactions energy: -491.583 where: short stacking energy: -227.822 Base-Backbone interact. energy: -0.354 local terms energy: -229.087727 where: bonds (distance) C4'-P energy: -37.319 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -57.367 flat angles P-C4'-P energy: -32.126 tors. eta vs tors. theta energy: -46.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -507.878741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.878741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.878741 (E_RNA) where: Base-Base interactions energy: -307.490 where: short stacking energy: -159.274 Base-Backbone interact. energy: -1.716 local terms energy: -198.672864 where: bonds (distance) C4'-P energy: -46.268 bonds (distance) P-C4' energy: -50.331 flat angles C4'-P-C4' energy: -43.558 flat angles P-C4'-P energy: -34.020 tors. eta vs tors. theta energy: -24.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -398.306367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.306367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.306367 (E_RNA) where: Base-Base interactions energy: -209.878 where: short stacking energy: -117.715 Base-Backbone interact. energy: -1.692 local terms energy: -186.736406 where: bonds (distance) C4'-P energy: -56.347 bonds (distance) P-C4' energy: -50.734 flat angles C4'-P-C4' energy: -46.517 flat angles P-C4'-P energy: -19.622 tors. eta vs tors. theta energy: -13.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -309.266426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.266426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.266426 (E_RNA) where: Base-Base interactions energy: -117.298 where: short stacking energy: -87.770 Base-Backbone interact. energy: -1.013 local terms energy: -190.954703 where: bonds (distance) C4'-P energy: -52.127 bonds (distance) P-C4' energy: -57.264 flat angles C4'-P-C4' energy: -56.061 flat angles P-C4'-P energy: -26.302 tors. eta vs tors. theta energy: 0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1059.907462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.907462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.907462 (E_RNA) where: Base-Base interactions energy: -742.270 where: short stacking energy: -322.385 Base-Backbone interact. energy: -1.316 local terms energy: -316.322131 where: bonds (distance) C4'-P energy: -48.187 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -48.616 tors. eta vs tors. theta energy: -92.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1019.335723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.335723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.335723 (E_RNA) where: Base-Base interactions energy: -710.822 where: short stacking energy: -290.677 Base-Backbone interact. energy: -0.747 local terms energy: -307.767272 where: bonds (distance) C4'-P energy: -61.579 bonds (distance) P-C4' energy: -57.935 flat angles C4'-P-C4' energy: -59.397 flat angles P-C4'-P energy: -46.783 tors. eta vs tors. theta energy: -82.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -998.648590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.648590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.648590 (E_RNA) where: Base-Base interactions energy: -692.908 where: short stacking energy: -284.816 Base-Backbone interact. energy: 1.178 local terms energy: -306.918457 where: bonds (distance) C4'-P energy: -54.792 bonds (distance) P-C4' energy: -58.401 flat angles C4'-P-C4' energy: -65.419 flat angles P-C4'-P energy: -39.657 tors. eta vs tors. theta energy: -88.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -898.160297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.160297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.160297 (E_RNA) where: Base-Base interactions energy: -622.690 where: short stacking energy: -275.493 Base-Backbone interact. energy: 0.415 local terms energy: -275.884776 where: bonds (distance) C4'-P energy: -50.135 bonds (distance) P-C4' energy: -48.864 flat angles C4'-P-C4' energy: -68.405 flat angles P-C4'-P energy: -33.340 tors. eta vs tors. theta energy: -75.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -853.970145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.970145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.970145 (E_RNA) where: Base-Base interactions energy: -590.529 where: short stacking energy: -237.300 Base-Backbone interact. energy: -1.605 local terms energy: -261.836112 where: bonds (distance) C4'-P energy: -59.831 bonds (distance) P-C4' energy: -53.146 flat angles C4'-P-C4' energy: -58.181 flat angles P-C4'-P energy: -26.291 tors. eta vs tors. theta energy: -64.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -818.089269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.089269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.089269 (E_RNA) where: Base-Base interactions energy: -546.873 where: short stacking energy: -227.618 Base-Backbone interact. energy: -1.106 local terms energy: -270.110075 where: bonds (distance) C4'-P energy: -54.847 bonds (distance) P-C4' energy: -49.258 flat angles C4'-P-C4' energy: -53.076 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: -72.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -712.672876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.672876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.672876 (E_RNA) where: Base-Base interactions energy: -476.360 where: short stacking energy: -207.498 Base-Backbone interact. energy: -0.607 local terms energy: -235.706088 where: bonds (distance) C4'-P energy: -50.762 bonds (distance) P-C4' energy: -48.653 flat angles C4'-P-C4' energy: -51.738 flat angles P-C4'-P energy: -28.731 tors. eta vs tors. theta energy: -55.823 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: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -491.926555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.926555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.926555 (E_RNA) where: Base-Base interactions energy: -286.622 where: short stacking energy: -140.511 Base-Backbone interact. energy: 1.141 local terms energy: -206.446060 where: bonds (distance) C4'-P energy: -46.747 bonds (distance) P-C4' energy: -46.209 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -16.352 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: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -423.021411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.021411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.021411 (E_RNA) where: Base-Base interactions energy: -258.134 where: short stacking energy: -141.587 Base-Backbone interact. energy: 0.463 local terms energy: -165.350708 where: bonds (distance) C4'-P energy: -45.865 bonds (distance) P-C4' energy: -36.318 flat angles C4'-P-C4' energy: -43.585 flat angles P-C4'-P energy: -26.752 tors. eta vs tors. theta energy: -12.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -273.154930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.154930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.154930 (E_RNA) where: Base-Base interactions energy: -96.484 where: short stacking energy: -89.806 Base-Backbone interact. energy: -0.838 local terms energy: -175.833630 where: bonds (distance) C4'-P energy: -46.731 bonds (distance) P-C4' energy: -61.808 flat angles C4'-P-C4' energy: -44.274 flat angles P-C4'-P energy: -25.678 tors. eta vs tors. theta energy: 2.657 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: 1, replica: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1060.037287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.037287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.037287 (E_RNA) where: Base-Base interactions energy: -731.954 where: short stacking energy: -320.297 Base-Backbone interact. energy: 0.745 local terms energy: -328.828210 where: bonds (distance) C4'-P energy: -53.499 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -70.510 flat angles P-C4'-P energy: -46.521 tors. eta vs tors. theta energy: -93.813 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: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1012.668167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.668167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.668167 (E_RNA) where: Base-Base interactions energy: -703.954 where: short stacking energy: -292.713 Base-Backbone interact. energy: -2.188 local terms energy: -306.526708 where: bonds (distance) C4'-P energy: -57.259 bonds (distance) P-C4' energy: -55.330 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -42.655 tors. eta vs tors. theta energy: -81.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1008.488741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.488741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.488741 (E_RNA) where: Base-Base interactions energy: -715.035 where: short stacking energy: -284.405 Base-Backbone interact. energy: -1.057 local terms energy: -292.396589 where: bonds (distance) C4'-P energy: -49.218 bonds (distance) P-C4' energy: -58.092 flat angles C4'-P-C4' energy: -62.354 flat angles P-C4'-P energy: -37.098 tors. eta vs tors. theta energy: -85.633 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: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -898.952329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.952329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.952329 (E_RNA) where: Base-Base interactions energy: -630.495 where: short stacking energy: -246.570 Base-Backbone interact. energy: -1.219 local terms energy: -267.238902 where: bonds (distance) C4'-P energy: -50.443 bonds (distance) P-C4' energy: -50.340 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: -70.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -888.304203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.304203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.304203 (E_RNA) where: Base-Base interactions energy: -597.229 where: short stacking energy: -268.263 Base-Backbone interact. energy: -2.170 local terms energy: -288.904644 where: bonds (distance) C4'-P energy: -50.221 bonds (distance) P-C4' energy: -60.402 flat angles C4'-P-C4' energy: -60.472 flat angles P-C4'-P energy: -39.259 tors. eta vs tors. theta energy: -78.550 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: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -802.245095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.245095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.245095 (E_RNA) where: Base-Base interactions energy: -552.978 where: short stacking energy: -237.664 Base-Backbone interact. energy: 0.584 local terms energy: -249.851127 where: bonds (distance) C4'-P energy: -46.074 bonds (distance) P-C4' energy: -43.498 flat angles C4'-P-C4' energy: -62.022 flat angles P-C4'-P energy: -35.827 tors. eta vs tors. theta energy: -62.429 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: 5 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -709.255733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.255733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.255733 (E_RNA) where: Base-Base interactions energy: -470.901 where: short stacking energy: -210.404 Base-Backbone interact. energy: 1.640 local terms energy: -239.994126 where: bonds (distance) C4'-P energy: -60.554 bonds (distance) P-C4' energy: -49.316 flat angles C4'-P-C4' energy: -49.770 flat angles P-C4'-P energy: -28.162 tors. eta vs tors. theta energy: -52.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -506.251283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.251283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.251283 (E_RNA) where: Base-Base interactions energy: -301.274 where: short stacking energy: -163.689 Base-Backbone interact. energy: -1.497 local terms energy: -203.480098 where: bonds (distance) C4'-P energy: -43.693 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -50.660 flat angles P-C4'-P energy: -27.734 tors. eta vs tors. theta energy: -26.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -408.105797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.105797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.105797 (E_RNA) where: Base-Base interactions energy: -244.963 where: short stacking energy: -125.401 Base-Backbone interact. energy: 0.044 local terms energy: -163.186202 where: bonds (distance) C4'-P energy: -37.898 bonds (distance) P-C4' energy: -46.262 flat angles C4'-P-C4' energy: -40.724 flat angles P-C4'-P energy: -27.578 tors. eta vs tors. theta energy: -10.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -254.367640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.367640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.367640 (E_RNA) where: Base-Base interactions energy: -98.508 where: short stacking energy: -80.066 Base-Backbone interact. energy: -0.141 local terms energy: -155.717930 where: bonds (distance) C4'-P energy: -52.416 bonds (distance) P-C4' energy: -38.702 flat angles C4'-P-C4' energy: -41.232 flat angles P-C4'-P energy: -20.405 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1038.164658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.164658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.164658 (E_RNA) where: Base-Base interactions energy: -721.309 where: short stacking energy: -301.033 Base-Backbone interact. energy: -0.882 local terms energy: -315.973206 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -66.261 flat angles C4'-P-C4' energy: -67.012 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -88.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1054.981969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.981969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.981969 (E_RNA) where: Base-Base interactions energy: -732.506 where: short stacking energy: -303.308 Base-Backbone interact. energy: -0.809 local terms energy: -321.666712 where: bonds (distance) C4'-P energy: -58.574 bonds (distance) P-C4' energy: -52.703 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -46.142 tors. eta vs tors. theta energy: -94.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -998.782486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.782486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.782486 (E_RNA) where: Base-Base interactions energy: -711.560 where: short stacking energy: -290.561 Base-Backbone interact. energy: -1.156 local terms energy: -286.066879 where: bonds (distance) C4'-P energy: -50.576 bonds (distance) P-C4' energy: -58.485 flat angles C4'-P-C4' energy: -54.527 flat angles P-C4'-P energy: -35.991 tors. eta vs tors. theta energy: -86.488 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: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -913.686979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.686979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.686979 (E_RNA) where: Base-Base interactions energy: -637.194 where: short stacking energy: -265.923 Base-Backbone interact. energy: -0.819 local terms energy: -275.674060 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -54.593 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: -67.216 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: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -895.934395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.934395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.934395 (E_RNA) where: Base-Base interactions energy: -613.915 where: short stacking energy: -269.848 Base-Backbone interact. energy: -0.516 local terms energy: -281.503751 where: bonds (distance) C4'-P energy: -45.242 bonds (distance) P-C4' energy: -52.692 flat angles C4'-P-C4' energy: -68.876 flat angles P-C4'-P energy: -40.137 tors. eta vs tors. theta energy: -74.556 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: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -798.141440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.141440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.141440 (E_RNA) where: Base-Base interactions energy: -539.165 where: short stacking energy: -233.812 Base-Backbone interact. energy: -2.712 local terms energy: -256.264945 where: bonds (distance) C4'-P energy: -47.223 bonds (distance) P-C4' energy: -49.057 flat angles C4'-P-C4' energy: -59.935 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -62.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -728.132742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.132742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.132742 (E_RNA) where: Base-Base interactions energy: -479.118 where: short stacking energy: -224.693 Base-Backbone interact. energy: 0.620 local terms energy: -249.635549 where: bonds (distance) C4'-P energy: -55.056 bonds (distance) P-C4' energy: -48.328 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -33.581 tors. eta vs tors. theta energy: -45.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -495.974764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.974764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.974764 (E_RNA) where: Base-Base interactions energy: -294.900 where: short stacking energy: -165.362 Base-Backbone interact. energy: -0.305 local terms energy: -200.769442 where: bonds (distance) C4'-P energy: -57.785 bonds (distance) P-C4' energy: -45.588 flat angles C4'-P-C4' energy: -48.734 flat angles P-C4'-P energy: -26.366 tors. eta vs tors. theta energy: -22.297 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: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -429.365776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.365776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.365776 (E_RNA) where: Base-Base interactions energy: -254.378 where: short stacking energy: -128.729 Base-Backbone interact. energy: 3.038 local terms energy: -178.025493 where: bonds (distance) C4'-P energy: -38.989 bonds (distance) P-C4' energy: -39.238 flat angles C4'-P-C4' energy: -41.589 flat angles P-C4'-P energy: -33.455 tors. eta vs tors. theta energy: -24.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -254.337369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.337369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.337369 (E_RNA) where: Base-Base interactions energy: -98.456 where: short stacking energy: -85.528 Base-Backbone interact. energy: 2.875 local terms energy: -158.756207 where: bonds (distance) C4'-P energy: -47.928 bonds (distance) P-C4' energy: -49.674 flat angles C4'-P-C4' energy: -42.189 flat angles P-C4'-P energy: -24.896 tors. eta vs tors. theta energy: 5.931 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: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1044.892217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.892217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.892217 (E_RNA) where: Base-Base interactions energy: -726.880 where: short stacking energy: -296.814 Base-Backbone interact. energy: -1.834 local terms energy: -316.178913 where: bonds (distance) C4'-P energy: -60.718 bonds (distance) P-C4' energy: -63.280 flat angles C4'-P-C4' energy: -66.981 flat angles P-C4'-P energy: -38.842 tors. eta vs tors. theta energy: -86.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1048.160257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.160257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.160257 (E_RNA) where: Base-Base interactions energy: -731.648 where: short stacking energy: -293.448 Base-Backbone interact. energy: 1.043 local terms energy: -317.555359 where: bonds (distance) C4'-P energy: -55.034 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -59.908 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -92.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -998.369490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.369490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.369490 (E_RNA) where: Base-Base interactions energy: -685.856 where: short stacking energy: -296.773 Base-Backbone interact. energy: -2.027 local terms energy: -310.486351 where: bonds (distance) C4'-P energy: -57.573 bonds (distance) P-C4' energy: -56.843 flat angles C4'-P-C4' energy: -65.395 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: -85.696 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: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -915.296251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.296251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.296251 (E_RNA) where: Base-Base interactions energy: -628.756 where: short stacking energy: -271.945 Base-Backbone interact. energy: 0.156 local terms energy: -286.695823 where: bonds (distance) C4'-P energy: -48.555 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -60.726 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -74.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -904.204612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.204612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.204612 (E_RNA) where: Base-Base interactions energy: -624.754 where: short stacking energy: -270.802 Base-Backbone interact. energy: 2.291 local terms energy: -281.741456 where: bonds (distance) C4'-P energy: -54.181 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -59.564 flat angles P-C4'-P energy: -35.090 tors. eta vs tors. theta energy: -70.685 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: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -811.698425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.698425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.698425 (E_RNA) where: Base-Base interactions energy: -555.462 where: short stacking energy: -219.347 Base-Backbone interact. energy: -1.289 local terms energy: -254.947051 where: bonds (distance) C4'-P energy: -51.124 bonds (distance) P-C4' energy: -63.335 flat angles C4'-P-C4' energy: -46.180 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -56.587 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: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -706.493425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.493425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.493425 (E_RNA) where: Base-Base interactions energy: -465.260 where: short stacking energy: -205.419 Base-Backbone interact. energy: -0.681 local terms energy: -240.552074 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -57.659 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -28.872 tors. eta vs tors. theta energy: -53.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -510.772015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.772015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.772015 (E_RNA) where: Base-Base interactions energy: -312.281 where: short stacking energy: -127.237 Base-Backbone interact. energy: 2.902 local terms energy: -201.392922 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -57.280 flat angles C4'-P-C4' energy: -45.235 flat angles P-C4'-P energy: -33.472 tors. eta vs tors. theta energy: -9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -398.975956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.975956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.975956 (E_RNA) where: Base-Base interactions energy: -220.510 where: short stacking energy: -125.901 Base-Backbone interact. energy: -0.654 local terms energy: -177.812353 where: bonds (distance) C4'-P energy: -48.816 bonds (distance) P-C4' energy: -46.063 flat angles C4'-P-C4' energy: -43.368 flat angles P-C4'-P energy: -27.046 tors. eta vs tors. theta energy: -12.519 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: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -300.032708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.032708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.032708 (E_RNA) where: Base-Base interactions energy: -142.238 where: short stacking energy: -95.974 Base-Backbone interact. energy: 3.818 local terms energy: -161.612789 where: bonds (distance) C4'-P energy: -33.548 bonds (distance) P-C4' energy: -54.331 flat angles C4'-P-C4' energy: -38.899 flat angles P-C4'-P energy: -35.351 tors. eta vs tors. theta energy: 0.515 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: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1072.557777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.557777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.557777 (E_RNA) where: Base-Base interactions energy: -759.234 where: short stacking energy: -309.564 Base-Backbone interact. energy: -2.020 local terms energy: -311.303233 where: bonds (distance) C4'-P energy: -52.192 bonds (distance) P-C4' energy: -54.274 flat angles C4'-P-C4' energy: -66.149 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -91.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1020.767397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.767397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.767397 (E_RNA) where: Base-Base interactions energy: -719.910 where: short stacking energy: -320.067 Base-Backbone interact. energy: -1.548 local terms energy: -299.309393 where: bonds (distance) C4'-P energy: -52.744 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -56.154 flat angles P-C4'-P energy: -42.117 tors. eta vs tors. theta energy: -92.657 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: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1009.654733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.654733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.654733 (E_RNA) where: Base-Base interactions energy: -696.653 where: short stacking energy: -296.378 Base-Backbone interact. energy: -2.263 local terms energy: -310.739040 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -66.311 flat angles P-C4'-P energy: -47.352 tors. eta vs tors. theta energy: -84.369 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: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -912.727850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.727850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.727850 (E_RNA) where: Base-Base interactions energy: -643.408 where: short stacking energy: -265.644 Base-Backbone interact. energy: -1.449 local terms energy: -267.871744 where: bonds (distance) C4'-P energy: -51.504 bonds (distance) P-C4' energy: -47.865 flat angles C4'-P-C4' energy: -65.387 flat angles P-C4'-P energy: -35.806 tors. eta vs tors. theta energy: -67.310 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: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -870.562268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.562268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.562268 (E_RNA) where: Base-Base interactions energy: -593.050 where: short stacking energy: -253.323 Base-Backbone interact. energy: -0.510 local terms energy: -277.002625 where: bonds (distance) C4'-P energy: -39.699 bonds (distance) P-C4' energy: -52.196 flat angles C4'-P-C4' energy: -68.256 flat angles P-C4'-P energy: -43.665 tors. eta vs tors. theta energy: -73.187 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -844.148008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.148008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.148008 (E_RNA) where: Base-Base interactions energy: -582.248 where: short stacking energy: -255.907 Base-Backbone interact. energy: 0.953 local terms energy: -262.853304 where: bonds (distance) C4'-P energy: -54.389 bonds (distance) P-C4' energy: -50.426 flat angles C4'-P-C4' energy: -55.448 flat angles P-C4'-P energy: -31.529 tors. eta vs tors. theta energy: -71.061 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: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -749.996359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.996359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.996359 (E_RNA) where: Base-Base interactions energy: -495.782 where: short stacking energy: -227.830 Base-Backbone interact. energy: -0.831 local terms energy: -253.383762 where: bonds (distance) C4'-P energy: -43.720 bonds (distance) P-C4' energy: -50.306 flat angles C4'-P-C4' energy: -59.934 flat angles P-C4'-P energy: -40.184 tors. eta vs tors. theta energy: -59.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -500.973760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.973760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.973760 (E_RNA) where: Base-Base interactions energy: -292.998 where: short stacking energy: -142.934 Base-Backbone interact. energy: -0.903 local terms energy: -207.072247 where: bonds (distance) C4'-P energy: -43.341 bonds (distance) P-C4' energy: -47.593 flat angles C4'-P-C4' energy: -54.823 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: -23.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -385.172972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.172972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.172972 (E_RNA) where: Base-Base interactions energy: -204.692 where: short stacking energy: -113.844 Base-Backbone interact. energy: -1.250 local terms energy: -179.230872 where: bonds (distance) C4'-P energy: -39.404 bonds (distance) P-C4' energy: -45.188 flat angles C4'-P-C4' energy: -47.541 flat angles P-C4'-P energy: -30.302 tors. eta vs tors. theta energy: -16.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -304.947151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.947151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.947151 (E_RNA) where: Base-Base interactions energy: -133.188 where: short stacking energy: -92.755 Base-Backbone interact. energy: -1.180 local terms energy: -170.579281 where: bonds (distance) C4'-P energy: -46.097 bonds (distance) P-C4' energy: -50.805 flat angles C4'-P-C4' energy: -48.348 flat angles P-C4'-P energy: -28.905 tors. eta vs tors. theta energy: 3.576 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: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1063.075599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.075599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.075599 (E_RNA) where: Base-Base interactions energy: -730.699 where: short stacking energy: -305.682 Base-Backbone interact. energy: -0.851 local terms energy: -331.526089 where: bonds (distance) C4'-P energy: -63.558 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -68.696 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -91.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1008.166504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.166504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.166504 (E_RNA) where: Base-Base interactions energy: -700.475 where: short stacking energy: -309.053 Base-Backbone interact. energy: -2.438 local terms energy: -305.253220 where: bonds (distance) C4'-P energy: -56.179 bonds (distance) P-C4' energy: -61.748 flat angles C4'-P-C4' energy: -68.273 flat angles P-C4'-P energy: -32.399 tors. eta vs tors. theta energy: -86.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1017.543531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.543531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.543531 (E_RNA) where: Base-Base interactions energy: -717.840 where: short stacking energy: -297.973 Base-Backbone interact. energy: -0.705 local terms energy: -298.998608 where: bonds (distance) C4'-P energy: -45.344 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -65.103 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -91.005 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: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -908.381853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.381853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.381853 (E_RNA) where: Base-Base interactions energy: -621.194 where: short stacking energy: -256.963 Base-Backbone interact. energy: -0.751 local terms energy: -286.436338 where: bonds (distance) C4'-P energy: -52.439 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -58.032 flat angles P-C4'-P energy: -46.957 tors. eta vs tors. theta energy: -68.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -884.745352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.745352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.745352 (E_RNA) where: Base-Base interactions energy: -607.739 where: short stacking energy: -259.357 Base-Backbone interact. energy: 0.729 local terms energy: -277.735432 where: bonds (distance) C4'-P energy: -40.276 bonds (distance) P-C4' energy: -55.887 flat angles C4'-P-C4' energy: -63.297 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -69.860 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: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -827.528630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.528630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.528630 (E_RNA) where: Base-Base interactions energy: -576.545 where: short stacking energy: -247.823 Base-Backbone interact. energy: -0.268 local terms energy: -250.716163 where: bonds (distance) C4'-P energy: -54.834 bonds (distance) P-C4' energy: -50.090 flat angles C4'-P-C4' energy: -47.391 flat angles P-C4'-P energy: -31.667 tors. eta vs tors. theta energy: -66.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -746.214831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.214831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.214831 (E_RNA) where: Base-Base interactions energy: -507.602 where: short stacking energy: -200.586 Base-Backbone interact. energy: -0.875 local terms energy: -237.737292 where: bonds (distance) C4'-P energy: -46.779 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -52.285 flat angles P-C4'-P energy: -26.258 tors. eta vs tors. theta energy: -48.763 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: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -579.573989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.573989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.573989 (E_RNA) where: Base-Base interactions energy: -364.317 where: short stacking energy: -171.080 Base-Backbone interact. energy: 0.763 local terms energy: -216.019932 where: bonds (distance) C4'-P energy: -40.574 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -53.112 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: -35.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -483.584402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.584402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.584402 (E_RNA) where: Base-Base interactions energy: -286.022 where: short stacking energy: -134.537 Base-Backbone interact. energy: -1.831 local terms energy: -195.731611 where: bonds (distance) C4'-P energy: -48.606 bonds (distance) P-C4' energy: -47.378 flat angles C4'-P-C4' energy: -51.207 flat angles P-C4'-P energy: -29.245 tors. eta vs tors. theta energy: -19.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -276.268994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.268994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.268994 (E_RNA) where: Base-Base interactions energy: -101.768 where: short stacking energy: -93.804 Base-Backbone interact. energy: -0.977 local terms energy: -173.523386 where: bonds (distance) C4'-P energy: -42.128 bonds (distance) P-C4' energy: -55.658 flat angles C4'-P-C4' energy: -56.517 flat angles P-C4'-P energy: -22.117 tors. eta vs tors. theta energy: 2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1093.432911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.432911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.432911 (E_RNA) where: Base-Base interactions energy: -757.912 where: short stacking energy: -314.037 Base-Backbone interact. energy: -0.509 local terms energy: -335.012230 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -57.262 flat angles C4'-P-C4' energy: -72.951 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: -93.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1020.618031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.618031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.618031 (E_RNA) where: Base-Base interactions energy: -716.146 where: short stacking energy: -309.787 Base-Backbone interact. energy: 0.385 local terms energy: -304.857644 where: bonds (distance) C4'-P energy: -53.377 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -60.987 flat angles P-C4'-P energy: -47.364 tors. eta vs tors. theta energy: -88.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1020.040774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.040774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.040774 (E_RNA) where: Base-Base interactions energy: -697.509 where: short stacking energy: -292.641 Base-Backbone interact. energy: -0.810 local terms energy: -321.722122 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -53.275 flat angles C4'-P-C4' energy: -66.632 flat angles P-C4'-P energy: -51.984 tors. eta vs tors. theta energy: -90.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -892.733677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.733677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.733677 (E_RNA) where: Base-Base interactions energy: -597.090 where: short stacking energy: -260.936 Base-Backbone interact. energy: -0.647 local terms energy: -294.996528 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -62.832 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -74.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -886.395875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.395875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.395875 (E_RNA) where: Base-Base interactions energy: -602.064 where: short stacking energy: -251.366 Base-Backbone interact. energy: 0.669 local terms energy: -285.001612 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -62.635 flat angles C4'-P-C4' energy: -58.617 flat angles P-C4'-P energy: -34.333 tors. eta vs tors. theta energy: -69.195 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: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -848.728826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.728826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.728826 (E_RNA) where: Base-Base interactions energy: -579.536 where: short stacking energy: -249.361 Base-Backbone interact. energy: -1.418 local terms energy: -267.774164 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -56.087 flat angles C4'-P-C4' energy: -53.028 flat angles P-C4'-P energy: -34.956 tors. eta vs tors. theta energy: -70.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -786.740388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.740388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.740388 (E_RNA) where: Base-Base interactions energy: -531.226 where: short stacking energy: -233.808 Base-Backbone interact. energy: 1.295 local terms energy: -256.809103 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -52.427 flat angles C4'-P-C4' energy: -49.890 flat angles P-C4'-P energy: -33.191 tors. eta vs tors. theta energy: -64.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -583.349810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.349810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.349810 (E_RNA) where: Base-Base interactions energy: -368.139 where: short stacking energy: -167.091 Base-Backbone interact. energy: -1.469 local terms energy: -213.742066 where: bonds (distance) C4'-P energy: -41.497 bonds (distance) P-C4' energy: -54.034 flat angles C4'-P-C4' energy: -52.450 flat angles P-C4'-P energy: -32.333 tors. eta vs tors. theta energy: -33.429 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: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -461.358309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.358309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.358309 (E_RNA) where: Base-Base interactions energy: -278.348 where: short stacking energy: -140.614 Base-Backbone interact. energy: 1.060 local terms energy: -184.070742 where: bonds (distance) C4'-P energy: -42.009 bonds (distance) P-C4' energy: -45.995 flat angles C4'-P-C4' energy: -44.945 flat angles P-C4'-P energy: -31.582 tors. eta vs tors. theta energy: -19.540 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: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -246.810476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.810476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.810476 (E_RNA) where: Base-Base interactions energy: -90.301 where: short stacking energy: -78.495 Base-Backbone interact. energy: 2.157 local terms energy: -158.666237 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -45.423 flat angles C4'-P-C4' energy: -43.113 flat angles P-C4'-P energy: -18.604 tors. eta vs tors. theta energy: 6.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1074.766769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.766769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.766769 (E_RNA) where: Base-Base interactions energy: -748.206 where: short stacking energy: -306.666 Base-Backbone interact. energy: -1.036 local terms energy: -325.524680 where: bonds (distance) C4'-P energy: -58.095 bonds (distance) P-C4' energy: -64.513 flat angles C4'-P-C4' energy: -68.840 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -86.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1027.880678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.880678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.880678 (E_RNA) where: Base-Base interactions energy: -718.769 where: short stacking energy: -310.564 Base-Backbone interact. energy: -2.516 local terms energy: -306.596002 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -55.229 flat angles C4'-P-C4' energy: -63.325 flat angles P-C4'-P energy: -39.842 tors. eta vs tors. theta energy: -90.255 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: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1011.385705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.385705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.385705 (E_RNA) where: Base-Base interactions energy: -709.242 where: short stacking energy: -305.661 Base-Backbone interact. energy: 0.075 local terms energy: -302.218052 where: bonds (distance) C4'-P energy: -50.827 bonds (distance) P-C4' energy: -53.754 flat angles C4'-P-C4' energy: -67.876 flat angles P-C4'-P energy: -36.913 tors. eta vs tors. theta energy: -92.848 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -905.461204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.461204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.461204 (E_RNA) where: Base-Base interactions energy: -619.900 where: short stacking energy: -269.616 Base-Backbone interact. energy: -1.374 local terms energy: -284.187316 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -55.159 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -39.495 tors. eta vs tors. theta energy: -73.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -897.305139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.305139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.305139 (E_RNA) where: Base-Base interactions energy: -622.678 where: short stacking energy: -260.520 Base-Backbone interact. energy: 1.069 local terms energy: -275.695965 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -50.604 flat angles C4'-P-C4' energy: -59.375 flat angles P-C4'-P energy: -36.537 tors. eta vs tors. theta energy: -71.560 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: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -849.547977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.547977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.547977 (E_RNA) where: Base-Base interactions energy: -586.104 where: short stacking energy: -277.100 Base-Backbone interact. energy: 1.236 local terms energy: -264.679678 where: bonds (distance) C4'-P energy: -46.994 bonds (distance) P-C4' energy: -47.475 flat angles C4'-P-C4' energy: -59.864 flat angles P-C4'-P energy: -34.640 tors. eta vs tors. theta energy: -75.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -740.942974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.942974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.942974 (E_RNA) where: Base-Base interactions energy: -495.335 where: short stacking energy: -239.480 Base-Backbone interact. energy: -2.718 local terms energy: -242.889567 where: bonds (distance) C4'-P energy: -44.800 bonds (distance) P-C4' energy: -47.466 flat angles C4'-P-C4' energy: -59.770 flat angles P-C4'-P energy: -40.027 tors. eta vs tors. theta energy: -50.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -566.762701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.762701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.762701 (E_RNA) where: Base-Base interactions energy: -351.268 where: short stacking energy: -167.320 Base-Backbone interact. energy: -0.436 local terms energy: -215.058038 where: bonds (distance) C4'-P energy: -40.501 bonds (distance) P-C4' energy: -51.673 flat angles C4'-P-C4' energy: -58.378 flat angles P-C4'-P energy: -33.526 tors. eta vs tors. theta energy: -30.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -481.662643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.662643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.662643 (E_RNA) where: Base-Base interactions energy: -281.314 where: short stacking energy: -160.457 Base-Backbone interact. energy: 5.555 local terms energy: -205.902819 where: bonds (distance) C4'-P energy: -46.378 bonds (distance) P-C4' energy: -52.747 flat angles C4'-P-C4' energy: -44.258 flat angles P-C4'-P energy: -28.563 tors. eta vs tors. theta energy: -33.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -261.898138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.898138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.898138 (E_RNA) where: Base-Base interactions energy: -100.902 where: short stacking energy: -80.647 Base-Backbone interact. energy: 3.775 local terms energy: -164.771488 where: bonds (distance) C4'-P energy: -54.797 bonds (distance) P-C4' energy: -41.036 flat angles C4'-P-C4' energy: -47.110 flat angles P-C4'-P energy: -21.872 tors. eta vs tors. theta energy: 0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1070.426132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.426132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.426132 (E_RNA) where: Base-Base interactions energy: -761.465 where: short stacking energy: -303.666 Base-Backbone interact. energy: -0.082 local terms energy: -308.879925 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -51.070 flat angles C4'-P-C4' energy: -66.900 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -92.230 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: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1008.751152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.751152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.751152 (E_RNA) where: Base-Base interactions energy: -690.347 where: short stacking energy: -297.067 Base-Backbone interact. energy: -2.017 local terms energy: -316.387464 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -60.781 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -88.001 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: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1008.252304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.252304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.252304 (E_RNA) where: Base-Base interactions energy: -693.671 where: short stacking energy: -286.533 Base-Backbone interact. energy: -3.806 local terms energy: -310.775641 where: bonds (distance) C4'-P energy: -61.592 bonds (distance) P-C4' energy: -50.748 flat angles C4'-P-C4' energy: -66.151 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -94.090 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: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -907.080777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.080777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.080777 (E_RNA) where: Base-Base interactions energy: -611.685 where: short stacking energy: -272.680 Base-Backbone interact. energy: 0.430 local terms energy: -295.825124 where: bonds (distance) C4'-P energy: -47.480 bonds (distance) P-C4' energy: -57.403 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -74.887 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -867.938446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.938446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.938446 (E_RNA) where: Base-Base interactions energy: -598.028 where: short stacking energy: -261.733 Base-Backbone interact. energy: -2.000 local terms energy: -267.909829 where: bonds (distance) C4'-P energy: -45.496 bonds (distance) P-C4' energy: -54.101 flat angles C4'-P-C4' energy: -52.229 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: -72.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -850.023283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.023283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.023283 (E_RNA) where: Base-Base interactions energy: -596.309 where: short stacking energy: -243.835 Base-Backbone interact. energy: -1.596 local terms energy: -252.118277 where: bonds (distance) C4'-P energy: -49.948 bonds (distance) P-C4' energy: -48.519 flat angles C4'-P-C4' energy: -48.814 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: -68.538 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: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -650.251968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.251968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.251968 (E_RNA) where: Base-Base interactions energy: -408.206 where: short stacking energy: -179.189 Base-Backbone interact. energy: -0.539 local terms energy: -241.506881 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -48.987 flat angles C4'-P-C4' energy: -51.404 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -51.585 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: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -693.914920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.914920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.914920 (E_RNA) where: Base-Base interactions energy: -471.058 where: short stacking energy: -205.084 Base-Backbone interact. energy: 2.670 local terms energy: -225.526233 where: bonds (distance) C4'-P energy: -38.380 bonds (distance) P-C4' energy: -47.271 flat angles C4'-P-C4' energy: -50.143 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -49.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -477.851237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.851237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.851237 (E_RNA) where: Base-Base interactions energy: -288.499 where: short stacking energy: -142.835 Base-Backbone interact. energy: 1.612 local terms energy: -190.963767 where: bonds (distance) C4'-P energy: -54.761 bonds (distance) P-C4' energy: -50.083 flat angles C4'-P-C4' energy: -45.857 flat angles P-C4'-P energy: -28.072 tors. eta vs tors. theta energy: -12.191 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: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -255.894633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.894633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.894633 (E_RNA) where: Base-Base interactions energy: -110.530 where: short stacking energy: -77.413 Base-Backbone interact. energy: 2.221 local terms energy: -147.585452 where: bonds (distance) C4'-P energy: -35.269 bonds (distance) P-C4' energy: -47.742 flat angles C4'-P-C4' energy: -42.793 flat angles P-C4'-P energy: -27.565 tors. eta vs tors. theta energy: 5.784 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: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1065.256738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.256738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.256738 (E_RNA) where: Base-Base interactions energy: -734.772 where: short stacking energy: -306.081 Base-Backbone interact. energy: -1.069 local terms energy: -329.415036 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -41.111 tors. eta vs tors. theta energy: -88.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1033.002255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.002255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.002255 (E_RNA) where: Base-Base interactions energy: -712.379 where: short stacking energy: -306.579 Base-Backbone interact. energy: -0.359 local terms energy: -320.264439 where: bonds (distance) C4'-P energy: -62.699 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -58.066 flat angles P-C4'-P energy: -47.174 tors. eta vs tors. theta energy: -90.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -995.668369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.668369 (E_RNA) where: Base-Base interactions energy: -681.661 where: short stacking energy: -304.865 Base-Backbone interact. energy: 0.204 local terms energy: -314.211956 where: bonds (distance) C4'-P energy: -50.477 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -69.319 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -88.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -890.371232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.371232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.371232 (E_RNA) where: Base-Base interactions energy: -594.802 where: short stacking energy: -260.245 Base-Backbone interact. energy: -1.850 local terms energy: -293.719366 where: bonds (distance) C4'-P energy: -62.607 bonds (distance) P-C4' energy: -62.159 flat angles C4'-P-C4' energy: -56.663 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -76.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -896.899738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.899738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.899738 (E_RNA) where: Base-Base interactions energy: -599.661 where: short stacking energy: -264.803 Base-Backbone interact. energy: -1.340 local terms energy: -295.899105 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -50.365 flat angles C4'-P-C4' energy: -67.067 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -73.512 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: 309 Temperature: 1.150000 Total energy: -831.002532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.002532 (E_RNA) where: Base-Base interactions energy: -589.746 where: short stacking energy: -237.547 Base-Backbone interact. energy: -0.693 local terms energy: -240.563332 where: bonds (distance) C4'-P energy: -46.741 bonds (distance) P-C4' energy: -44.633 flat angles C4'-P-C4' energy: -49.399 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: -60.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -673.704822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.704822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.704822 (E_RNA) where: Base-Base interactions energy: -424.605 where: short stacking energy: -211.972 Base-Backbone interact. energy: -2.551 local terms energy: -246.549459 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -42.579 flat angles C4'-P-C4' energy: -57.465 flat angles P-C4'-P energy: -39.957 tors. eta vs tors. theta energy: -55.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -728.644693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.644693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.644693 (E_RNA) where: Base-Base interactions energy: -497.293 where: short stacking energy: -228.020 Base-Backbone interact. energy: -0.937 local terms energy: -230.414595 where: bonds (distance) C4'-P energy: -48.310 bonds (distance) P-C4' energy: -37.798 flat angles C4'-P-C4' energy: -51.223 flat angles P-C4'-P energy: -32.683 tors. eta vs tors. theta energy: -60.400 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: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -459.169598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.169598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.169598 (E_RNA) where: Base-Base interactions energy: -269.034 where: short stacking energy: -140.442 Base-Backbone interact. energy: -1.233 local terms energy: -188.902698 where: bonds (distance) C4'-P energy: -49.988 bonds (distance) P-C4' energy: -48.144 flat angles C4'-P-C4' energy: -45.459 flat angles P-C4'-P energy: -29.116 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: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -259.513743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.513743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.513743 (E_RNA) where: Base-Base interactions energy: -98.403 where: short stacking energy: -83.693 Base-Backbone interact. energy: 0.337 local terms energy: -161.448263 where: bonds (distance) C4'-P energy: -52.336 bonds (distance) P-C4' energy: -46.461 flat angles C4'-P-C4' energy: -46.746 flat angles P-C4'-P energy: -23.155 tors. eta vs tors. theta energy: 7.250 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: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1081.191133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.191133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.191133 (E_RNA) where: Base-Base interactions energy: -762.258 where: short stacking energy: -306.956 Base-Backbone interact. energy: -0.556 local terms energy: -318.376680 where: bonds (distance) C4'-P energy: -58.208 bonds (distance) P-C4' energy: -62.730 flat angles C4'-P-C4' energy: -69.678 flat angles P-C4'-P energy: -40.443 tors. eta vs tors. theta energy: -87.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1039.250475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.250475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.250475 (E_RNA) where: Base-Base interactions energy: -729.209 where: short stacking energy: -301.356 Base-Backbone interact. energy: -3.184 local terms energy: -306.858279 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -59.464 flat angles P-C4'-P energy: -46.029 tors. eta vs tors. theta energy: -86.375 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: 310 Temperature: 1.000000 Total energy: -1002.499508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.499508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.499508 (E_RNA) where: Base-Base interactions energy: -696.187 where: short stacking energy: -306.295 Base-Backbone interact. energy: -1.858 local terms energy: -304.454441 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -51.965 flat angles C4'-P-C4' energy: -63.537 flat angles P-C4'-P energy: -36.792 tors. eta vs tors. theta energy: -86.074 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: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -904.901041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.901041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.901041 (E_RNA) where: Base-Base interactions energy: -610.827 where: short stacking energy: -289.418 Base-Backbone interact. energy: -0.067 local terms energy: -294.007170 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -55.480 flat angles C4'-P-C4' energy: -63.105 flat angles P-C4'-P energy: -43.543 tors. eta vs tors. theta energy: -76.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -879.021478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.021478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.021478 (E_RNA) where: Base-Base interactions energy: -586.731 where: short stacking energy: -256.246 Base-Backbone interact. energy: -0.485 local terms energy: -291.805366 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -59.523 flat angles C4'-P-C4' energy: -60.891 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: -73.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -821.858331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.858331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.858331 (E_RNA) where: Base-Base interactions energy: -551.240 where: short stacking energy: -262.544 Base-Backbone interact. energy: -0.973 local terms energy: -269.645321 where: bonds (distance) C4'-P energy: -45.600 bonds (distance) P-C4' energy: -49.828 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -39.839 tors. eta vs tors. theta energy: -69.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -771.621933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.621933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.621933 (E_RNA) where: Base-Base interactions energy: -529.132 where: short stacking energy: -240.791 Base-Backbone interact. energy: -1.211 local terms energy: -241.278342 where: bonds (distance) C4'-P energy: -45.009 bonds (distance) P-C4' energy: -48.359 flat angles C4'-P-C4' energy: -59.735 flat angles P-C4'-P energy: -25.231 tors. eta vs tors. theta energy: -62.945 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: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -636.493425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.493425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.493425 (E_RNA) where: Base-Base interactions energy: -421.939 where: short stacking energy: -191.787 Base-Backbone interact. energy: 1.555 local terms energy: -216.109009 where: bonds (distance) C4'-P energy: -43.983 bonds (distance) P-C4' energy: -52.581 flat angles C4'-P-C4' energy: -55.931 flat angles P-C4'-P energy: -19.389 tors. eta vs tors. theta energy: -44.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -446.661401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.661401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.661401 (E_RNA) where: Base-Base interactions energy: -253.819 where: short stacking energy: -135.856 Base-Backbone interact. energy: 1.416 local terms energy: -194.258034 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -45.274 flat angles C4'-P-C4' energy: -54.124 flat angles P-C4'-P energy: -12.503 tors. eta vs tors. theta energy: -23.216 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: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -266.775164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.775164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.775164 (E_RNA) where: Base-Base interactions energy: -80.362 where: short stacking energy: -57.833 Base-Backbone interact. energy: -1.792 local terms energy: -184.621225 where: bonds (distance) C4'-P energy: -57.291 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -41.754 flat angles P-C4'-P energy: -27.051 tors. eta vs tors. theta energy: 3.243 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: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1074.511630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.511630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.511630 (E_RNA) where: Base-Base interactions energy: -745.737 where: short stacking energy: -303.030 Base-Backbone interact. energy: -0.317 local terms energy: -328.458207 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -63.283 flat angles P-C4'-P energy: -49.915 tors. eta vs tors. theta energy: -88.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1033.761725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.761725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.761725 (E_RNA) where: Base-Base interactions energy: -721.201 where: short stacking energy: -314.435 Base-Backbone interact. energy: -1.297 local terms energy: -311.263943 where: bonds (distance) C4'-P energy: -59.388 bonds (distance) P-C4' energy: -59.863 flat angles C4'-P-C4' energy: -70.572 flat angles P-C4'-P energy: -32.680 tors. eta vs tors. theta energy: -88.760 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: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -994.531230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.531230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.531230 (E_RNA) where: Base-Base interactions energy: -692.116 where: short stacking energy: -283.244 Base-Backbone interact. energy: -0.986 local terms energy: -301.428953 where: bonds (distance) C4'-P energy: -50.811 bonds (distance) P-C4' energy: -62.824 flat angles C4'-P-C4' energy: -64.245 flat angles P-C4'-P energy: -36.202 tors. eta vs tors. theta energy: -87.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -883.015373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.015373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.015373 (E_RNA) where: Base-Base interactions energy: -604.834 where: short stacking energy: -289.230 Base-Backbone interact. energy: -0.985 local terms energy: -277.196623 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -45.542 flat angles C4'-P-C4' energy: -60.012 flat angles P-C4'-P energy: -37.236 tors. eta vs tors. theta energy: -76.887 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: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -885.878500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.878500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.878500 (E_RNA) where: Base-Base interactions energy: -615.961 where: short stacking energy: -260.859 Base-Backbone interact. energy: -0.527 local terms energy: -269.391142 where: bonds (distance) C4'-P energy: -44.623 bonds (distance) P-C4' energy: -55.672 flat angles C4'-P-C4' energy: -55.888 flat angles P-C4'-P energy: -40.243 tors. eta vs tors. theta energy: -72.965 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: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -789.352627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.352627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.352627 (E_RNA) where: Base-Base interactions energy: -536.045 where: short stacking energy: -239.723 Base-Backbone interact. energy: -2.867 local terms energy: -250.441241 where: bonds (distance) C4'-P energy: -44.026 bonds (distance) P-C4' energy: -44.695 flat angles C4'-P-C4' energy: -62.532 flat angles P-C4'-P energy: -31.945 tors. eta vs tors. theta energy: -67.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -795.484851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.484851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.484851 (E_RNA) where: Base-Base interactions energy: -553.852 where: short stacking energy: -239.267 Base-Backbone interact. energy: -1.515 local terms energy: -240.117997 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -34.311 flat angles C4'-P-C4' energy: -60.173 flat angles P-C4'-P energy: -35.955 tors. eta vs tors. theta energy: -56.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -599.005060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.005060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.005060 (E_RNA) where: Base-Base interactions energy: -378.946 where: short stacking energy: -173.278 Base-Backbone interact. energy: -2.164 local terms energy: -217.895131 where: bonds (distance) C4'-P energy: -59.276 bonds (distance) P-C4' energy: -58.953 flat angles C4'-P-C4' energy: -49.331 flat angles P-C4'-P energy: -20.929 tors. eta vs tors. theta energy: -29.406 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: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -452.178584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.178584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.178584 (E_RNA) where: Base-Base interactions energy: -250.206 where: short stacking energy: -130.916 Base-Backbone interact. energy: -0.982 local terms energy: -200.990214 where: bonds (distance) C4'-P energy: -46.088 bonds (distance) P-C4' energy: -51.127 flat angles C4'-P-C4' energy: -58.828 flat angles P-C4'-P energy: -28.902 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: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -259.236599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.236599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.236599 (E_RNA) where: Base-Base interactions energy: -107.713 where: short stacking energy: -71.630 Base-Backbone interact. energy: 3.692 local terms energy: -155.215894 where: bonds (distance) C4'-P energy: -46.870 bonds (distance) P-C4' energy: -41.924 flat angles C4'-P-C4' energy: -49.167 flat angles P-C4'-P energy: -27.412 tors. eta vs tors. theta energy: 10.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1036.806380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.806380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.806380 (E_RNA) where: Base-Base interactions energy: -721.033 where: short stacking energy: -309.613 Base-Backbone interact. energy: -0.379 local terms energy: -315.394742 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -51.041 flat angles C4'-P-C4' energy: -65.859 flat angles P-C4'-P energy: -48.849 tors. eta vs tors. theta energy: -88.432 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: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1079.011325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.011325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.011325 (E_RNA) where: Base-Base interactions energy: -776.040 where: short stacking energy: -316.735 Base-Backbone interact. energy: -0.967 local terms energy: -302.003742 where: bonds (distance) C4'-P energy: -50.797 bonds (distance) P-C4' energy: -47.425 flat angles C4'-P-C4' energy: -67.987 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -88.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -991.661180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.661180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.661180 (E_RNA) where: Base-Base interactions energy: -699.047 where: short stacking energy: -279.695 Base-Backbone interact. energy: -1.003 local terms energy: -291.610917 where: bonds (distance) C4'-P energy: -58.312 bonds (distance) P-C4' energy: -65.307 flat angles C4'-P-C4' energy: -60.581 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: -76.304 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: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -887.379426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.379426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.379426 (E_RNA) where: Base-Base interactions energy: -592.247 where: short stacking energy: -277.089 Base-Backbone interact. energy: -0.183 local terms energy: -294.949403 where: bonds (distance) C4'-P energy: -59.627 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -62.074 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -71.349 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: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -873.405145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.405145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.405145 (E_RNA) where: Base-Base interactions energy: -585.680 where: short stacking energy: -252.690 Base-Backbone interact. energy: -1.502 local terms energy: -286.222462 where: bonds (distance) C4'-P energy: -53.866 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -63.007 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -68.041 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: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -778.812322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.812322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.812322 (E_RNA) where: Base-Base interactions energy: -508.906 where: short stacking energy: -250.601 Base-Backbone interact. energy: -0.995 local terms energy: -268.911484 where: bonds (distance) C4'-P energy: -42.998 bonds (distance) P-C4' energy: -54.219 flat angles C4'-P-C4' energy: -62.514 flat angles P-C4'-P energy: -38.736 tors. eta vs tors. theta energy: -70.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -824.715581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.715581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.715581 (E_RNA) where: Base-Base interactions energy: -566.854 where: short stacking energy: -243.189 Base-Backbone interact. energy: -0.521 local terms energy: -257.340317 where: bonds (distance) C4'-P energy: -58.004 bonds (distance) P-C4' energy: -42.745 flat angles C4'-P-C4' energy: -53.763 flat angles P-C4'-P energy: -35.012 tors. eta vs tors. theta energy: -67.817 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: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -577.189728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.189728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.189728 (E_RNA) where: Base-Base interactions energy: -352.893 where: short stacking energy: -171.036 Base-Backbone interact. energy: -1.047 local terms energy: -223.248851 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -45.323 flat angles C4'-P-C4' energy: -49.627 flat angles P-C4'-P energy: -27.516 tors. eta vs tors. theta energy: -42.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -458.403575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.403575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.403575 (E_RNA) where: Base-Base interactions energy: -263.803 where: short stacking energy: -138.178 Base-Backbone interact. energy: -1.541 local terms energy: -193.060361 where: bonds (distance) C4'-P energy: -41.560 bonds (distance) P-C4' energy: -57.830 flat angles C4'-P-C4' energy: -45.499 flat angles P-C4'-P energy: -33.248 tors. eta vs tors. theta energy: -14.924 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: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -254.002076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.002076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.002076 (E_RNA) where: Base-Base interactions energy: -117.402 where: short stacking energy: -76.178 Base-Backbone interact. energy: 0.750 local terms energy: -137.350607 where: bonds (distance) C4'-P energy: -44.744 bonds (distance) P-C4' energy: -58.565 flat angles C4'-P-C4' energy: -28.218 flat angles P-C4'-P energy: -12.107 tors. eta vs tors. theta energy: 6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1037.698181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.698181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.698181 (E_RNA) where: Base-Base interactions energy: -701.910 where: short stacking energy: -306.831 Base-Backbone interact. energy: 0.838 local terms energy: -336.625924 where: bonds (distance) C4'-P energy: -63.949 bonds (distance) P-C4' energy: -65.786 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -90.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1052.370521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.370521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.370521 (E_RNA) where: Base-Base interactions energy: -742.614 where: short stacking energy: -306.542 Base-Backbone interact. energy: -0.658 local terms energy: -309.098547 where: bonds (distance) C4'-P energy: -50.655 bonds (distance) P-C4' energy: -59.425 flat angles C4'-P-C4' energy: -61.008 flat angles P-C4'-P energy: -43.211 tors. eta vs tors. theta energy: -94.800 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: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -982.961304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.961304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.961304 (E_RNA) where: Base-Base interactions energy: -691.092 where: short stacking energy: -278.540 Base-Backbone interact. energy: -0.458 local terms energy: -291.411676 where: bonds (distance) C4'-P energy: -59.738 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -63.801 flat angles P-C4'-P energy: -35.693 tors. eta vs tors. theta energy: -75.125 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: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -925.499640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.499640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.499640 (E_RNA) where: Base-Base interactions energy: -628.756 where: short stacking energy: -284.957 Base-Backbone interact. energy: -2.028 local terms energy: -294.716020 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -54.471 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -78.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -894.046321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.046321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.046321 (E_RNA) where: Base-Base interactions energy: -613.105 where: short stacking energy: -272.298 Base-Backbone interact. energy: -0.354 local terms energy: -280.587959 where: bonds (distance) C4'-P energy: -54.993 bonds (distance) P-C4' energy: -58.497 flat angles C4'-P-C4' energy: -52.419 flat angles P-C4'-P energy: -39.843 tors. eta vs tors. theta energy: -74.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -780.483248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.483248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.483248 (E_RNA) where: Base-Base interactions energy: -513.761 where: short stacking energy: -232.751 Base-Backbone interact. energy: -0.140 local terms energy: -266.582364 where: bonds (distance) C4'-P energy: -54.037 bonds (distance) P-C4' energy: -50.391 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -37.486 tors. eta vs tors. theta energy: -64.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -738.150917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.150917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.150917 (E_RNA) where: Base-Base interactions energy: -481.545 where: short stacking energy: -219.645 Base-Backbone interact. energy: -0.671 local terms energy: -255.934882 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -54.847 flat angles C4'-P-C4' energy: -59.027 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -55.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -591.222910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.222910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.222910 (E_RNA) where: Base-Base interactions energy: -372.480 where: short stacking energy: -180.315 Base-Backbone interact. energy: 0.876 local terms energy: -219.618889 where: bonds (distance) C4'-P energy: -53.042 bonds (distance) P-C4' energy: -50.511 flat angles C4'-P-C4' energy: -41.574 flat angles P-C4'-P energy: -34.301 tors. eta vs tors. theta energy: -40.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -467.889831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.889831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.889831 (E_RNA) where: Base-Base interactions energy: -278.712 where: short stacking energy: -148.937 Base-Backbone interact. energy: -0.686 local terms energy: -188.492031 where: bonds (distance) C4'-P energy: -49.507 bonds (distance) P-C4' energy: -49.814 flat angles C4'-P-C4' energy: -41.617 flat angles P-C4'-P energy: -25.360 tors. eta vs tors. theta energy: -22.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -263.734670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.734670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.734670 (E_RNA) where: Base-Base interactions energy: -76.343 where: short stacking energy: -73.990 Base-Backbone interact. energy: -0.454 local terms energy: -186.937155 where: bonds (distance) C4'-P energy: -53.659 bonds (distance) P-C4' energy: -55.356 flat angles C4'-P-C4' energy: -47.570 flat angles P-C4'-P energy: -25.649 tors. eta vs tors. theta energy: -4.705 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: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1037.607294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.607294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.607294 (E_RNA) where: Base-Base interactions energy: -720.339 where: short stacking energy: -307.691 Base-Backbone interact. energy: -1.115 local terms energy: -316.152996 where: bonds (distance) C4'-P energy: -52.941 bonds (distance) P-C4' energy: -62.677 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: -87.659 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: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1052.095638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.095638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.095638 (E_RNA) where: Base-Base interactions energy: -753.284 where: short stacking energy: -309.970 Base-Backbone interact. energy: 0.143 local terms energy: -298.954421 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -51.549 flat angles C4'-P-C4' energy: -64.389 flat angles P-C4'-P energy: -39.744 tors. eta vs tors. theta energy: -91.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -995.240984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.240984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.240984 (E_RNA) where: Base-Base interactions energy: -691.997 where: short stacking energy: -280.313 Base-Backbone interact. energy: 1.079 local terms energy: -304.323885 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -54.875 flat angles C4'-P-C4' energy: -66.919 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -81.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -925.746038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.746038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.746038 (E_RNA) where: Base-Base interactions energy: -640.431 where: short stacking energy: -280.003 Base-Backbone interact. energy: -1.231 local terms energy: -284.084025 where: bonds (distance) C4'-P energy: -51.530 bonds (distance) P-C4' energy: -58.748 flat angles C4'-P-C4' energy: -59.093 flat angles P-C4'-P energy: -30.053 tors. eta vs tors. theta energy: -84.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -886.734240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.734240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.734240 (E_RNA) where: Base-Base interactions energy: -604.072 where: short stacking energy: -261.137 Base-Backbone interact. energy: -0.654 local terms energy: -282.007471 where: bonds (distance) C4'-P energy: -44.791 bonds (distance) P-C4' energy: -54.016 flat angles C4'-P-C4' energy: -69.014 flat angles P-C4'-P energy: -37.780 tors. eta vs tors. theta energy: -76.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -790.485743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.485743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.485743 (E_RNA) where: Base-Base interactions energy: -521.821 where: short stacking energy: -224.213 Base-Backbone interact. energy: -0.764 local terms energy: -267.900235 where: bonds (distance) C4'-P energy: -50.069 bonds (distance) P-C4' energy: -50.690 flat angles C4'-P-C4' energy: -62.428 flat angles P-C4'-P energy: -40.543 tors. eta vs tors. theta energy: -64.169 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: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -775.927306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.927306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.927306 (E_RNA) where: Base-Base interactions energy: -507.199 where: short stacking energy: -209.440 Base-Backbone interact. energy: -2.093 local terms energy: -266.635639 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -46.888 flat angles C4'-P-C4' energy: -62.556 flat angles P-C4'-P energy: -31.333 tors. eta vs tors. theta energy: -68.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -573.299374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.299374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.299374 (E_RNA) where: Base-Base interactions energy: -352.021 where: short stacking energy: -172.849 Base-Backbone interact. energy: 2.673 local terms energy: -223.951247 where: bonds (distance) C4'-P energy: -50.194 bonds (distance) P-C4' energy: -51.618 flat angles C4'-P-C4' energy: -51.102 flat angles P-C4'-P energy: -33.391 tors. eta vs tors. theta energy: -37.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -447.884471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.884471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.884471 (E_RNA) where: Base-Base interactions energy: -276.056 where: short stacking energy: -137.912 Base-Backbone interact. energy: -1.023 local terms energy: -170.806051 where: bonds (distance) C4'-P energy: -44.090 bonds (distance) P-C4' energy: -41.336 flat angles C4'-P-C4' energy: -42.740 flat angles P-C4'-P energy: -20.162 tors. eta vs tors. theta energy: -22.479 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: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -284.999038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.999038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.999038 (E_RNA) where: Base-Base interactions energy: -136.047 where: short stacking energy: -96.327 Base-Backbone interact. energy: -0.385 local terms energy: -148.566468 where: bonds (distance) C4'-P energy: -38.562 bonds (distance) P-C4' energy: -39.037 flat angles C4'-P-C4' energy: -47.455 flat angles P-C4'-P energy: -29.165 tors. eta vs tors. theta energy: 5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1042.142197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.142197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.142197 (E_RNA) where: Base-Base interactions energy: -735.222 where: short stacking energy: -317.436 Base-Backbone interact. energy: -0.856 local terms energy: -306.064349 where: bonds (distance) C4'-P energy: -48.874 bonds (distance) P-C4' energy: -55.290 flat angles C4'-P-C4' energy: -73.297 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -82.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1058.543553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.543553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.543553 (E_RNA) where: Base-Base interactions energy: -735.526 where: short stacking energy: -301.775 Base-Backbone interact. energy: -1.414 local terms energy: -321.603611 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -64.511 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -91.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -989.537559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.537559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.537559 (E_RNA) where: Base-Base interactions energy: -704.694 where: short stacking energy: -298.542 Base-Backbone interact. energy: -0.974 local terms energy: -283.869150 where: bonds (distance) C4'-P energy: -52.271 bonds (distance) P-C4' energy: -51.213 flat angles C4'-P-C4' energy: -58.800 flat angles P-C4'-P energy: -28.367 tors. eta vs tors. theta energy: -93.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -932.568345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.568345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.568345 (E_RNA) where: Base-Base interactions energy: -634.179 where: short stacking energy: -265.507 Base-Backbone interact. energy: 1.963 local terms energy: -300.352397 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -52.177 flat angles C4'-P-C4' energy: -64.576 flat angles P-C4'-P energy: -40.704 tors. eta vs tors. theta energy: -80.157 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: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -854.091299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.091299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.091299 (E_RNA) where: Base-Base interactions energy: -601.607 where: short stacking energy: -251.285 Base-Backbone interact. energy: 0.621 local terms energy: -253.105111 where: bonds (distance) C4'-P energy: -45.160 bonds (distance) P-C4' energy: -56.705 flat angles C4'-P-C4' energy: -48.416 flat angles P-C4'-P energy: -34.568 tors. eta vs tors. theta energy: -68.256 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: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -805.914516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.914516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.914516 (E_RNA) where: Base-Base interactions energy: -559.285 where: short stacking energy: -258.408 Base-Backbone interact. energy: -0.815 local terms energy: -245.813976 where: bonds (distance) C4'-P energy: -41.061 bonds (distance) P-C4' energy: -48.489 flat angles C4'-P-C4' energy: -55.767 flat angles P-C4'-P energy: -31.327 tors. eta vs tors. theta energy: -69.170 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: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -734.876583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.876583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.876583 (E_RNA) where: Base-Base interactions energy: -501.676 where: short stacking energy: -238.343 Base-Backbone interact. energy: 2.818 local terms energy: -236.017777 where: bonds (distance) C4'-P energy: -42.939 bonds (distance) P-C4' energy: -44.858 flat angles C4'-P-C4' energy: -55.834 flat angles P-C4'-P energy: -33.531 tors. eta vs tors. theta energy: -58.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -591.788317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.788317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.788317 (E_RNA) where: Base-Base interactions energy: -365.281 where: short stacking energy: -179.723 Base-Backbone interact. energy: -2.813 local terms energy: -223.694846 where: bonds (distance) C4'-P energy: -48.720 bonds (distance) P-C4' energy: -48.849 flat angles C4'-P-C4' energy: -44.320 flat angles P-C4'-P energy: -36.218 tors. eta vs tors. theta energy: -45.588 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: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -443.103343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.103343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.103343 (E_RNA) where: Base-Base interactions energy: -270.649 where: short stacking energy: -138.828 Base-Backbone interact. energy: -1.941 local terms energy: -170.512952 where: bonds (distance) C4'-P energy: -41.809 bonds (distance) P-C4' energy: -45.614 flat angles C4'-P-C4' energy: -39.872 flat angles P-C4'-P energy: -27.824 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -272.388573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.388573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.388573 (E_RNA) where: Base-Base interactions energy: -126.109 where: short stacking energy: -82.674 Base-Backbone interact. energy: -0.135 local terms energy: -146.144860 where: bonds (distance) C4'-P energy: -42.717 bonds (distance) P-C4' energy: -45.918 flat angles C4'-P-C4' energy: -40.146 flat angles P-C4'-P energy: -18.661 tors. eta vs tors. theta energy: 1.297 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: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1063.189437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.189437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.189437 (E_RNA) where: Base-Base interactions energy: -741.576 where: short stacking energy: -318.384 Base-Backbone interact. energy: 0.885 local terms energy: -322.498440 where: bonds (distance) C4'-P energy: -51.969 bonds (distance) P-C4' energy: -57.001 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -96.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1022.944935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.944935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.944935 (E_RNA) where: Base-Base interactions energy: -720.660 where: short stacking energy: -317.911 Base-Backbone interact. energy: -1.304 local terms energy: -300.981057 where: bonds (distance) C4'-P energy: -58.286 bonds (distance) P-C4' energy: -57.217 flat angles C4'-P-C4' energy: -60.493 flat angles P-C4'-P energy: -36.917 tors. eta vs tors. theta energy: -88.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -969.516097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.516097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.516097 (E_RNA) where: Base-Base interactions energy: -672.794 where: short stacking energy: -288.363 Base-Backbone interact. energy: -0.488 local terms energy: -296.233255 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -58.026 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -34.052 tors. eta vs tors. theta energy: -81.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -940.088265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.088265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.088265 (E_RNA) where: Base-Base interactions energy: -655.365 where: short stacking energy: -287.853 Base-Backbone interact. energy: -1.355 local terms energy: -283.367864 where: bonds (distance) C4'-P energy: -52.441 bonds (distance) P-C4' energy: -58.125 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -35.170 tors. eta vs tors. theta energy: -73.537 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: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -825.775730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.775730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.775730 (E_RNA) where: Base-Base interactions energy: -557.927 where: short stacking energy: -237.204 Base-Backbone interact. energy: -0.065 local terms energy: -267.783726 where: bonds (distance) C4'-P energy: -56.611 bonds (distance) P-C4' energy: -54.827 flat angles C4'-P-C4' energy: -54.593 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -62.284 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: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -831.793072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.793072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.793072 (E_RNA) where: Base-Base interactions energy: -566.191 where: short stacking energy: -253.846 Base-Backbone interact. energy: -1.644 local terms energy: -263.957545 where: bonds (distance) C4'-P energy: -55.483 bonds (distance) P-C4' energy: -41.499 flat angles C4'-P-C4' energy: -54.727 flat angles P-C4'-P energy: -38.316 tors. eta vs tors. theta energy: -73.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -729.704919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.704919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.704919 (E_RNA) where: Base-Base interactions energy: -476.626 where: short stacking energy: -224.986 Base-Backbone interact. energy: -0.348 local terms energy: -252.731054 where: bonds (distance) C4'-P energy: -43.416 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -54.426 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -50.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -576.520865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.520865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.520865 (E_RNA) where: Base-Base interactions energy: -367.341 where: short stacking energy: -172.980 Base-Backbone interact. energy: 1.362 local terms energy: -210.541377 where: bonds (distance) C4'-P energy: -53.263 bonds (distance) P-C4' energy: -49.962 flat angles C4'-P-C4' energy: -39.185 flat angles P-C4'-P energy: -30.594 tors. eta vs tors. theta energy: -37.537 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: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -445.490791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.490791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.490791 (E_RNA) where: Base-Base interactions energy: -251.843 where: short stacking energy: -120.576 Base-Backbone interact. energy: 1.034 local terms energy: -194.680962 where: bonds (distance) C4'-P energy: -42.611 bonds (distance) P-C4' energy: -60.426 flat angles C4'-P-C4' energy: -44.079 flat angles P-C4'-P energy: -34.170 tors. eta vs tors. theta energy: -13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -250.601432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.601432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.601432 (E_RNA) where: Base-Base interactions energy: -91.508 where: short stacking energy: -76.397 Base-Backbone interact. energy: -1.112 local terms energy: -157.981115 where: bonds (distance) C4'-P energy: -57.618 bonds (distance) P-C4' energy: -42.885 flat angles C4'-P-C4' energy: -43.908 flat angles P-C4'-P energy: -20.742 tors. eta vs tors. theta energy: 7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1071.241592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.241592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.241592 (E_RNA) where: Base-Base interactions energy: -743.258 where: short stacking energy: -312.900 Base-Backbone interact. energy: -2.167 local terms energy: -325.816746 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -70.737 flat angles C4'-P-C4' energy: -64.364 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: -89.957 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: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1015.040166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.040166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.040166 (E_RNA) where: Base-Base interactions energy: -713.637 where: short stacking energy: -302.115 Base-Backbone interact. energy: -1.381 local terms energy: -300.022152 where: bonds (distance) C4'-P energy: -52.734 bonds (distance) P-C4' energy: -56.360 flat angles C4'-P-C4' energy: -59.942 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -83.402 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: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -969.808978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.808978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.808978 (E_RNA) where: Base-Base interactions energy: -665.886 where: short stacking energy: -277.713 Base-Backbone interact. energy: 3.130 local terms energy: -307.053120 where: bonds (distance) C4'-P energy: -56.531 bonds (distance) P-C4' energy: -53.898 flat angles C4'-P-C4' energy: -72.971 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: -84.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -912.402398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.402398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.402398 (E_RNA) where: Base-Base interactions energy: -618.662 where: short stacking energy: -261.245 Base-Backbone interact. energy: -3.062 local terms energy: -290.678482 where: bonds (distance) C4'-P energy: -55.909 bonds (distance) P-C4' energy: -54.670 flat angles C4'-P-C4' energy: -58.611 flat angles P-C4'-P energy: -43.051 tors. eta vs tors. theta energy: -78.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -837.934492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.934492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.934492 (E_RNA) where: Base-Base interactions energy: -569.905 where: short stacking energy: -233.642 Base-Backbone interact. energy: -1.025 local terms energy: -267.004382 where: bonds (distance) C4'-P energy: -48.856 bonds (distance) P-C4' energy: -56.149 flat angles C4'-P-C4' energy: -68.258 flat angles P-C4'-P energy: -36.025 tors. eta vs tors. theta energy: -57.716 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: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -814.793627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.793627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.793627 (E_RNA) where: Base-Base interactions energy: -545.234 where: short stacking energy: -253.979 Base-Backbone interact. energy: 0.096 local terms energy: -269.656192 where: bonds (distance) C4'-P energy: -44.751 bonds (distance) P-C4' energy: -58.563 flat angles C4'-P-C4' energy: -63.266 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: -68.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -771.226943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.226943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.226943 (E_RNA) where: Base-Base interactions energy: -511.447 where: short stacking energy: -230.950 Base-Backbone interact. energy: -1.086 local terms energy: -258.694118 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -50.231 flat angles C4'-P-C4' energy: -48.952 flat angles P-C4'-P energy: -34.859 tors. eta vs tors. theta energy: -71.161 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -557.123508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.123508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.123508 (E_RNA) where: Base-Base interactions energy: -341.913 where: short stacking energy: -178.557 Base-Backbone interact. energy: 0.219 local terms energy: -215.429102 where: bonds (distance) C4'-P energy: -46.283 bonds (distance) P-C4' energy: -37.746 flat angles C4'-P-C4' energy: -50.346 flat angles P-C4'-P energy: -37.055 tors. eta vs tors. theta energy: -43.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -463.798220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.798220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.798220 (E_RNA) where: Base-Base interactions energy: -268.702 where: short stacking energy: -149.263 Base-Backbone interact. energy: -0.363 local terms energy: -194.732966 where: bonds (distance) C4'-P energy: -46.705 bonds (distance) P-C4' energy: -41.097 flat angles C4'-P-C4' energy: -51.014 flat angles P-C4'-P energy: -34.069 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: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -299.552626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.552626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.552626 (E_RNA) where: Base-Base interactions energy: -126.820 where: short stacking energy: -86.795 Base-Backbone interact. energy: -0.884 local terms energy: -171.847765 where: bonds (distance) C4'-P energy: -43.817 bonds (distance) P-C4' energy: -49.443 flat angles C4'-P-C4' energy: -48.951 flat angles P-C4'-P energy: -28.452 tors. eta vs tors. theta energy: -1.185 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: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1066.044201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.044201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.044201 (E_RNA) where: Base-Base interactions energy: -738.265 where: short stacking energy: -320.843 Base-Backbone interact. energy: -0.929 local terms energy: -326.850467 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -61.011 flat angles C4'-P-C4' energy: -69.291 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -93.850 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: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1004.949422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.949422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.949422 (E_RNA) where: Base-Base interactions energy: -703.317 where: short stacking energy: -312.984 Base-Backbone interact. energy: 1.046 local terms energy: -302.678519 where: bonds (distance) C4'-P energy: -53.688 bonds (distance) P-C4' energy: -57.712 flat angles C4'-P-C4' energy: -66.639 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -81.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -983.661338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.661338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.661338 (E_RNA) where: Base-Base interactions energy: -692.575 where: short stacking energy: -288.004 Base-Backbone interact. energy: -0.909 local terms energy: -290.177477 where: bonds (distance) C4'-P energy: -45.870 bonds (distance) P-C4' energy: -52.834 flat angles C4'-P-C4' energy: -66.491 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -80.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -928.769134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.769134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.769134 (E_RNA) where: Base-Base interactions energy: -654.059 where: short stacking energy: -287.322 Base-Backbone interact. energy: -1.782 local terms energy: -272.928349 where: bonds (distance) C4'-P energy: -43.569 bonds (distance) P-C4' energy: -48.306 flat angles C4'-P-C4' energy: -56.353 flat angles P-C4'-P energy: -42.611 tors. eta vs tors. theta energy: -82.089 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: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -848.518064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.518064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.518064 (E_RNA) where: Base-Base interactions energy: -579.682 where: short stacking energy: -266.553 Base-Backbone interact. energy: 0.132 local terms energy: -268.968016 where: bonds (distance) C4'-P energy: -51.104 bonds (distance) P-C4' energy: -47.738 flat angles C4'-P-C4' energy: -59.199 flat angles P-C4'-P energy: -40.694 tors. eta vs tors. theta energy: -70.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -858.279153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.279153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.279153 (E_RNA) where: Base-Base interactions energy: -592.262 where: short stacking energy: -258.112 Base-Backbone interact. energy: -0.851 local terms energy: -265.166164 where: bonds (distance) C4'-P energy: -59.635 bonds (distance) P-C4' energy: -49.030 flat angles C4'-P-C4' energy: -50.224 flat angles P-C4'-P energy: -30.956 tors. eta vs tors. theta energy: -75.322 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: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -727.223381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.223381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.223381 (E_RNA) where: Base-Base interactions energy: -482.480 where: short stacking energy: -224.435 Base-Backbone interact. energy: -0.227 local terms energy: -244.517014 where: bonds (distance) C4'-P energy: -47.410 bonds (distance) P-C4' energy: -59.853 flat angles C4'-P-C4' energy: -49.489 flat angles P-C4'-P energy: -26.754 tors. eta vs tors. theta energy: -61.011 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: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -578.056990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.056990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.056990 (E_RNA) where: Base-Base interactions energy: -362.575 where: short stacking energy: -174.387 Base-Backbone interact. energy: 0.127 local terms energy: -215.609433 where: bonds (distance) C4'-P energy: -34.955 bonds (distance) P-C4' energy: -59.381 flat angles C4'-P-C4' energy: -52.289 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: -28.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -479.458540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.458540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.458540 (E_RNA) where: Base-Base interactions energy: -273.843 where: short stacking energy: -140.996 Base-Backbone interact. energy: -1.511 local terms energy: -204.104003 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -57.500 flat angles C4'-P-C4' energy: -39.214 flat angles P-C4'-P energy: -40.429 tors. eta vs tors. theta energy: -15.972 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: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -306.820631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.820631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.820631 (E_RNA) where: Base-Base interactions energy: -147.930 where: short stacking energy: -88.913 Base-Backbone interact. energy: -0.403 local terms energy: -158.487314 where: bonds (distance) C4'-P energy: -45.955 bonds (distance) P-C4' energy: -57.304 flat angles C4'-P-C4' energy: -35.652 flat angles P-C4'-P energy: -26.671 tors. eta vs tors. theta energy: 7.094 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: 319 Temperature: 0.900000 Total energy: -1053.079741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.079741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.079741 (E_RNA) where: Base-Base interactions energy: -737.471 where: short stacking energy: -309.575 Base-Backbone interact. energy: -0.425 local terms energy: -315.183759 where: bonds (distance) C4'-P energy: -52.927 bonds (distance) P-C4' energy: -62.837 flat angles C4'-P-C4' energy: -66.231 flat angles P-C4'-P energy: -42.904 tors. eta vs tors. theta energy: -90.284 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: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1016.912213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.912213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.912213 (E_RNA) where: Base-Base interactions energy: -702.144 where: short stacking energy: -289.765 Base-Backbone interact. energy: 0.917 local terms energy: -315.685097 where: bonds (distance) C4'-P energy: -54.008 bonds (distance) P-C4' energy: -64.524 flat angles C4'-P-C4' energy: -62.309 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -86.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -978.464186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.464186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.464186 (E_RNA) where: Base-Base interactions energy: -683.794 where: short stacking energy: -298.496 Base-Backbone interact. energy: 1.848 local terms energy: -296.518479 where: bonds (distance) C4'-P energy: -50.307 bonds (distance) P-C4' energy: -60.228 flat angles C4'-P-C4' energy: -62.451 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: -85.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -923.778797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.778797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.778797 (E_RNA) where: Base-Base interactions energy: -634.643 where: short stacking energy: -282.003 Base-Backbone interact. energy: -2.616 local terms energy: -286.520428 where: bonds (distance) C4'-P energy: -57.846 bonds (distance) P-C4' energy: -45.960 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: -84.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -863.705696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.705696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.705696 (E_RNA) where: Base-Base interactions energy: -585.605 where: short stacking energy: -255.839 Base-Backbone interact. energy: -1.113 local terms energy: -276.987733 where: bonds (distance) C4'-P energy: -50.736 bonds (distance) P-C4' energy: -51.937 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -68.721 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: 319 Temperature: 1.150000 Total energy: -831.179494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.179494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.179494 (E_RNA) where: Base-Base interactions energy: -582.787 where: short stacking energy: -241.812 Base-Backbone interact. energy: -0.145 local terms energy: -248.248285 where: bonds (distance) C4'-P energy: -51.779 bonds (distance) P-C4' energy: -48.587 flat angles C4'-P-C4' energy: -51.702 flat angles P-C4'-P energy: -32.384 tors. eta vs tors. theta energy: -63.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -727.876351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.876351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.876351 (E_RNA) where: Base-Base interactions energy: -487.735 where: short stacking energy: -248.885 Base-Backbone interact. energy: 0.052 local terms energy: -240.193663 where: bonds (distance) C4'-P energy: -37.753 bonds (distance) P-C4' energy: -47.968 flat angles C4'-P-C4' energy: -56.257 flat angles P-C4'-P energy: -36.871 tors. eta vs tors. theta energy: -61.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -601.769565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.769565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.769565 (E_RNA) where: Base-Base interactions energy: -365.846 where: short stacking energy: -165.869 Base-Backbone interact. energy: -0.902 local terms energy: -235.022183 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -55.043 flat angles P-C4'-P energy: -25.716 tors. eta vs tors. theta energy: -40.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -505.688867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.688867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.688867 (E_RNA) where: Base-Base interactions energy: -293.048 where: short stacking energy: -151.474 Base-Backbone interact. energy: -0.911 local terms energy: -211.729695 where: bonds (distance) C4'-P energy: -37.782 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -55.635 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: -24.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -300.873483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.873483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.873483 (E_RNA) where: Base-Base interactions energy: -123.920 where: short stacking energy: -105.278 Base-Backbone interact. energy: 0.062 local terms energy: -177.015899 where: bonds (distance) C4'-P energy: -47.249 bonds (distance) P-C4' energy: -48.680 flat angles C4'-P-C4' energy: -40.017 flat angles P-C4'-P energy: -36.759 tors. eta vs tors. theta energy: -4.311 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: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1061.165284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.165284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.165284 (E_RNA) where: Base-Base interactions energy: -733.710 where: short stacking energy: -311.986 Base-Backbone interact. energy: -0.050 local terms energy: -327.404904 where: bonds (distance) C4'-P energy: -66.939 bonds (distance) P-C4' energy: -56.134 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -42.768 tors. eta vs tors. theta energy: -91.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1025.494154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.494154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.494154 (E_RNA) where: Base-Base interactions energy: -711.753 where: short stacking energy: -308.266 Base-Backbone interact. energy: 0.095 local terms energy: -313.836727 where: bonds (distance) C4'-P energy: -54.120 bonds (distance) P-C4' energy: -63.450 flat angles C4'-P-C4' energy: -68.220 flat angles P-C4'-P energy: -39.701 tors. eta vs tors. theta energy: -88.346 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: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -973.488218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.488218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.488218 (E_RNA) where: Base-Base interactions energy: -666.648 where: short stacking energy: -286.075 Base-Backbone interact. energy: 0.038 local terms energy: -306.878045 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -61.242 flat angles C4'-P-C4' energy: -56.146 flat angles P-C4'-P energy: -54.085 tors. eta vs tors. theta energy: -76.184 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: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -924.365520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.365520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.365520 (E_RNA) where: Base-Base interactions energy: -623.318 where: short stacking energy: -270.543 Base-Backbone interact. energy: -0.795 local terms energy: -300.252082 where: bonds (distance) C4'-P energy: -52.271 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -47.147 tors. eta vs tors. theta energy: -74.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -852.691463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.691463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.691463 (E_RNA) where: Base-Base interactions energy: -570.185 where: short stacking energy: -247.638 Base-Backbone interact. energy: -1.202 local terms energy: -281.304286 where: bonds (distance) C4'-P energy: -54.079 bonds (distance) P-C4' energy: -54.938 flat angles C4'-P-C4' energy: -56.921 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -75.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -821.700168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.700168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.700168 (E_RNA) where: Base-Base interactions energy: -572.946 where: short stacking energy: -253.662 Base-Backbone interact. energy: -0.821 local terms energy: -247.933231 where: bonds (distance) C4'-P energy: -45.089 bonds (distance) P-C4' energy: -49.689 flat angles C4'-P-C4' energy: -55.963 flat angles P-C4'-P energy: -35.293 tors. eta vs tors. theta energy: -61.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -725.408748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.408748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.408748 (E_RNA) where: Base-Base interactions energy: -477.140 where: short stacking energy: -235.202 Base-Backbone interact. energy: -1.453 local terms energy: -246.815858 where: bonds (distance) C4'-P energy: -52.321 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -48.728 flat angles P-C4'-P energy: -42.317 tors. eta vs tors. theta energy: -50.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -594.698903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.698903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.698903 (E_RNA) where: Base-Base interactions energy: -363.556 where: short stacking energy: -181.072 Base-Backbone interact. energy: -0.596 local terms energy: -230.547189 where: bonds (distance) C4'-P energy: -53.472 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -52.906 flat angles P-C4'-P energy: -27.647 tors. eta vs tors. theta energy: -37.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -493.397334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.397334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.397334 (E_RNA) where: Base-Base interactions energy: -280.995 where: short stacking energy: -153.591 Base-Backbone interact. energy: -1.042 local terms energy: -211.360642 where: bonds (distance) C4'-P energy: -55.010 bonds (distance) P-C4' energy: -49.092 flat angles C4'-P-C4' energy: -48.997 flat angles P-C4'-P energy: -39.826 tors. eta vs tors. theta energy: -18.436 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: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -293.044758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.044758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.044758 (E_RNA) where: Base-Base interactions energy: -139.011 where: short stacking energy: -98.395 Base-Backbone interact. energy: 0.082 local terms energy: -154.116410 where: bonds (distance) C4'-P energy: -50.210 bonds (distance) P-C4' energy: -48.560 flat angles C4'-P-C4' energy: -39.333 flat angles P-C4'-P energy: -20.160 tors. eta vs tors. theta energy: 4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1029.781907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.781907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.781907 (E_RNA) where: Base-Base interactions energy: -736.930 where: short stacking energy: -314.551 Base-Backbone interact. energy: -1.182 local terms energy: -291.670241 where: bonds (distance) C4'-P energy: -44.638 bonds (distance) P-C4' energy: -54.709 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -37.571 tors. eta vs tors. theta energy: -90.160 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: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1039.405343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.405343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.405343 (E_RNA) where: Base-Base interactions energy: -714.036 where: short stacking energy: -303.110 Base-Backbone interact. energy: -0.878 local terms energy: -324.491375 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -58.685 flat angles C4'-P-C4' energy: -72.258 flat angles P-C4'-P energy: -46.992 tors. eta vs tors. theta energy: -87.607 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: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -974.404898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.404898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.404898 (E_RNA) where: Base-Base interactions energy: -687.844 where: short stacking energy: -303.010 Base-Backbone interact. energy: -1.084 local terms energy: -285.476993 where: bonds (distance) C4'-P energy: -48.542 bonds (distance) P-C4' energy: -54.704 flat angles C4'-P-C4' energy: -60.902 flat angles P-C4'-P energy: -42.002 tors. eta vs tors. theta energy: -79.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -939.238026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.238026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.238026 (E_RNA) where: Base-Base interactions energy: -642.592 where: short stacking energy: -292.215 Base-Backbone interact. energy: -2.349 local terms energy: -294.297222 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -58.103 flat angles C4'-P-C4' energy: -62.636 flat angles P-C4'-P energy: -34.679 tors. eta vs tors. theta energy: -80.476 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: 321 Temperature: 1.100000 Total energy: -846.195721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.195721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.195721 (E_RNA) where: Base-Base interactions energy: -588.766 where: short stacking energy: -253.507 Base-Backbone interact. energy: 6.442 local terms energy: -263.872166 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -44.854 flat angles C4'-P-C4' energy: -59.846 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -62.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -865.427362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.427362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.427362 (E_RNA) where: Base-Base interactions energy: -592.525 where: short stacking energy: -259.137 Base-Backbone interact. energy: -1.196 local terms energy: -271.706648 where: bonds (distance) C4'-P energy: -45.620 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -45.606 flat angles P-C4'-P energy: -47.528 tors. eta vs tors. theta energy: -73.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -752.673179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.673179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.673179 (E_RNA) where: Base-Base interactions energy: -491.483 where: short stacking energy: -216.270 Base-Backbone interact. energy: 0.015 local terms energy: -261.205466 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -55.996 flat angles C4'-P-C4' energy: -55.735 flat angles P-C4'-P energy: -33.651 tors. eta vs tors. theta energy: -58.832 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: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -586.782482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.782482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.782482 (E_RNA) where: Base-Base interactions energy: -371.803 where: short stacking energy: -168.964 Base-Backbone interact. energy: 1.087 local terms energy: -216.066421 where: bonds (distance) C4'-P energy: -53.709 bonds (distance) P-C4' energy: -49.932 flat angles C4'-P-C4' energy: -47.058 flat angles P-C4'-P energy: -37.574 tors. eta vs tors. theta energy: -27.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -491.961803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.961803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.961803 (E_RNA) where: Base-Base interactions energy: -288.630 where: short stacking energy: -159.637 Base-Backbone interact. energy: 3.392 local terms energy: -206.724506 where: bonds (distance) C4'-P energy: -53.346 bonds (distance) P-C4' energy: -46.902 flat angles C4'-P-C4' energy: -46.304 flat angles P-C4'-P energy: -35.433 tors. eta vs tors. theta energy: -24.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -258.979761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.979761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.979761 (E_RNA) where: Base-Base interactions energy: -94.363 where: short stacking energy: -75.377 Base-Backbone interact. energy: -1.314 local terms energy: -163.302771 where: bonds (distance) C4'-P energy: -53.135 bonds (distance) P-C4' energy: -57.114 flat angles C4'-P-C4' energy: -34.117 flat angles P-C4'-P energy: -17.951 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1048.505617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.505617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.505617 (E_RNA) where: Base-Base interactions energy: -722.431 where: short stacking energy: -315.835 Base-Backbone interact. energy: -0.032 local terms energy: -326.042389 where: bonds (distance) C4'-P energy: -54.241 bonds (distance) P-C4' energy: -66.016 flat angles C4'-P-C4' energy: -65.526 flat angles P-C4'-P energy: -49.292 tors. eta vs tors. theta energy: -90.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1017.222565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.222565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.222565 (E_RNA) where: Base-Base interactions energy: -713.689 where: short stacking energy: -284.959 Base-Backbone interact. energy: -1.175 local terms energy: -302.358249 where: bonds (distance) C4'-P energy: -52.101 bonds (distance) P-C4' energy: -63.301 flat angles C4'-P-C4' energy: -58.046 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: -86.872 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: 322 Temperature: 1.000000 Total energy: -983.754499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.754499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.754499 (E_RNA) where: Base-Base interactions energy: -699.126 where: short stacking energy: -308.280 Base-Backbone interact. energy: -1.480 local terms energy: -283.147975 where: bonds (distance) C4'-P energy: -37.557 bonds (distance) P-C4' energy: -61.720 flat angles C4'-P-C4' energy: -59.062 flat angles P-C4'-P energy: -41.975 tors. eta vs tors. theta energy: -82.834 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: 322 Temperature: 1.050000 Total energy: -915.112686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.112686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.112686 (E_RNA) where: Base-Base interactions energy: -616.858 where: short stacking energy: -268.014 Base-Backbone interact. energy: -0.137 local terms energy: -298.117987 where: bonds (distance) C4'-P energy: -54.762 bonds (distance) P-C4' energy: -64.010 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -34.079 tors. eta vs tors. theta energy: -81.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -909.683194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.683194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.683194 (E_RNA) where: Base-Base interactions energy: -633.593 where: short stacking energy: -273.971 Base-Backbone interact. energy: -0.463 local terms energy: -275.627492 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -48.222 flat angles C4'-P-C4' energy: -60.824 flat angles P-C4'-P energy: -33.433 tors. eta vs tors. theta energy: -79.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -835.479455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.479455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.479455 (E_RNA) where: Base-Base interactions energy: -570.265 where: short stacking energy: -246.625 Base-Backbone interact. energy: 1.158 local terms energy: -266.371935 where: bonds (distance) C4'-P energy: -50.834 bonds (distance) P-C4' energy: -50.328 flat angles C4'-P-C4' energy: -62.340 flat angles P-C4'-P energy: -37.328 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: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -756.632296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.632296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.632296 (E_RNA) where: Base-Base interactions energy: -508.142 where: short stacking energy: -227.077 Base-Backbone interact. energy: -1.019 local terms energy: -247.471217 where: bonds (distance) C4'-P energy: -48.316 bonds (distance) P-C4' energy: -46.225 flat angles C4'-P-C4' energy: -54.793 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -66.311 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: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -556.500240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.500240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.500240 (E_RNA) where: Base-Base interactions energy: -333.989 where: short stacking energy: -170.185 Base-Backbone interact. energy: 2.084 local terms energy: -224.595483 where: bonds (distance) C4'-P energy: -55.489 bonds (distance) P-C4' energy: -52.946 flat angles C4'-P-C4' energy: -48.371 flat angles P-C4'-P energy: -29.008 tors. eta vs tors. theta energy: -38.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -433.069126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.069126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.069126 (E_RNA) where: Base-Base interactions energy: -260.128 where: short stacking energy: -135.409 Base-Backbone interact. energy: -0.056 local terms energy: -172.884749 where: bonds (distance) C4'-P energy: -47.224 bonds (distance) P-C4' energy: -42.886 flat angles C4'-P-C4' energy: -42.301 flat angles P-C4'-P energy: -30.058 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: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -233.713348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.713348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.713348 (E_RNA) where: Base-Base interactions energy: -100.665 where: short stacking energy: -82.035 Base-Backbone interact. energy: 1.976 local terms energy: -135.023588 where: bonds (distance) C4'-P energy: -37.536 bonds (distance) P-C4' energy: -49.706 flat angles C4'-P-C4' energy: -36.755 flat angles P-C4'-P energy: -23.363 tors. eta vs tors. theta energy: 12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1044.360459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.360459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.360459 (E_RNA) where: Base-Base interactions energy: -735.697 where: short stacking energy: -312.607 Base-Backbone interact. energy: -0.476 local terms energy: -308.186672 where: bonds (distance) C4'-P energy: -58.407 bonds (distance) P-C4' energy: -54.935 flat angles C4'-P-C4' energy: -68.183 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -86.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1007.664396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.664396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.664396 (E_RNA) where: Base-Base interactions energy: -711.454 where: short stacking energy: -275.174 Base-Backbone interact. energy: -1.901 local terms energy: -294.309079 where: bonds (distance) C4'-P energy: -53.387 bonds (distance) P-C4' energy: -53.086 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -43.157 tors. eta vs tors. theta energy: -78.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -979.308396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.308396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.308396 (E_RNA) where: Base-Base interactions energy: -679.284 where: short stacking energy: -285.126 Base-Backbone interact. energy: 1.590 local terms energy: -301.614567 where: bonds (distance) C4'-P energy: -57.564 bonds (distance) P-C4' energy: -57.959 flat angles C4'-P-C4' energy: -61.859 flat angles P-C4'-P energy: -42.140 tors. eta vs tors. theta energy: -82.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -909.048989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.048989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.048989 (E_RNA) where: Base-Base interactions energy: -603.458 where: short stacking energy: -262.134 Base-Backbone interact. energy: 3.388 local terms energy: -308.979135 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -39.854 tors. eta vs tors. theta energy: -80.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -906.383388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.383388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.383388 (E_RNA) where: Base-Base interactions energy: -608.139 where: short stacking energy: -270.395 Base-Backbone interact. energy: -1.679 local terms energy: -296.565794 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -51.944 flat angles C4'-P-C4' energy: -63.440 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -81.106 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: 323 Temperature: 1.150000 Total energy: -797.325201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.325201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.325201 (E_RNA) where: Base-Base interactions energy: -536.547 where: short stacking energy: -234.266 Base-Backbone interact. energy: 1.795 local terms energy: -262.573161 where: bonds (distance) C4'-P energy: -51.044 bonds (distance) P-C4' energy: -60.502 flat angles C4'-P-C4' energy: -47.791 flat angles P-C4'-P energy: -37.926 tors. eta vs tors. theta energy: -65.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -768.772578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.772578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.772578 (E_RNA) where: Base-Base interactions energy: -524.680 where: short stacking energy: -243.504 Base-Backbone interact. energy: 0.117 local terms energy: -244.209198 where: bonds (distance) C4'-P energy: -40.101 bonds (distance) P-C4' energy: -46.746 flat angles C4'-P-C4' energy: -55.661 flat angles P-C4'-P energy: -36.924 tors. eta vs tors. theta energy: -64.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -570.254653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.254653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.254653 (E_RNA) where: Base-Base interactions energy: -354.236 where: short stacking energy: -160.957 Base-Backbone interact. energy: -0.052 local terms energy: -215.966537 where: bonds (distance) C4'-P energy: -37.385 bonds (distance) P-C4' energy: -47.954 flat angles C4'-P-C4' energy: -55.043 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -31.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -405.785033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.785033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.785033 (E_RNA) where: Base-Base interactions energy: -216.014 where: short stacking energy: -118.904 Base-Backbone interact. energy: 3.802 local terms energy: -193.572812 where: bonds (distance) C4'-P energy: -55.017 bonds (distance) P-C4' energy: -47.669 flat angles C4'-P-C4' energy: -49.878 flat angles P-C4'-P energy: -23.993 tors. eta vs tors. theta energy: -17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -260.714977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.714977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.714977 (E_RNA) where: Base-Base interactions energy: -123.089 where: short stacking energy: -89.483 Base-Backbone interact. energy: 0.518 local terms energy: -138.143912 where: bonds (distance) C4'-P energy: -33.375 bonds (distance) P-C4' energy: -49.930 flat angles C4'-P-C4' energy: -34.571 flat angles P-C4'-P energy: -18.343 tors. eta vs tors. theta energy: -1.926 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: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1017.950441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.950441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.950441 (E_RNA) where: Base-Base interactions energy: -718.073 where: short stacking energy: -294.282 Base-Backbone interact. energy: -1.760 local terms energy: -298.117788 where: bonds (distance) C4'-P energy: -50.088 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -83.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1016.038645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.038645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.038645 (E_RNA) where: Base-Base interactions energy: -695.019 where: short stacking energy: -285.200 Base-Backbone interact. energy: -0.266 local terms energy: -320.754026 where: bonds (distance) C4'-P energy: -59.599 bonds (distance) P-C4' energy: -58.127 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -43.716 tors. eta vs tors. theta energy: -87.763 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: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -997.738642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.738642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.738642 (E_RNA) where: Base-Base interactions energy: -694.457 where: short stacking energy: -309.670 Base-Backbone interact. energy: 0.914 local terms energy: -304.195074 where: bonds (distance) C4'-P energy: -46.284 bonds (distance) P-C4' energy: -61.163 flat angles C4'-P-C4' energy: -61.906 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: -87.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -899.560717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.560717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.560717 (E_RNA) where: Base-Base interactions energy: -608.942 where: short stacking energy: -246.258 Base-Backbone interact. energy: -1.872 local terms energy: -288.746358 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -56.506 flat angles C4'-P-C4' energy: -55.414 flat angles P-C4'-P energy: -36.890 tors. eta vs tors. theta energy: -80.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -931.789491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.789491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.789491 (E_RNA) where: Base-Base interactions energy: -626.966 where: short stacking energy: -274.728 Base-Backbone interact. energy: -0.960 local terms energy: -303.863765 where: bonds (distance) C4'-P energy: -56.708 bonds (distance) P-C4' energy: -55.124 flat angles C4'-P-C4' energy: -67.371 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -79.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -780.309523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.309523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.309523 (E_RNA) where: Base-Base interactions energy: -555.468 where: short stacking energy: -225.443 Base-Backbone interact. energy: -1.100 local terms energy: -223.740660 where: bonds (distance) C4'-P energy: -44.863 bonds (distance) P-C4' energy: -44.471 flat angles C4'-P-C4' energy: -53.026 flat angles P-C4'-P energy: -31.417 tors. eta vs tors. theta energy: -49.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -758.722180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.722180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.722180 (E_RNA) where: Base-Base interactions energy: -506.414 where: short stacking energy: -240.484 Base-Backbone interact. energy: -0.683 local terms energy: -251.624803 where: bonds (distance) C4'-P energy: -51.103 bonds (distance) P-C4' energy: -46.106 flat angles C4'-P-C4' energy: -52.354 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -62.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -586.091440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.091440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.091440 (E_RNA) where: Base-Base interactions energy: -364.378 where: short stacking energy: -178.560 Base-Backbone interact. energy: -1.155 local terms energy: -220.558683 where: bonds (distance) C4'-P energy: -36.838 bonds (distance) P-C4' energy: -52.223 flat angles C4'-P-C4' energy: -52.107 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: -36.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -392.734189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.734189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.734189 (E_RNA) where: Base-Base interactions energy: -230.101 where: short stacking energy: -123.769 Base-Backbone interact. energy: 2.328 local terms energy: -164.961222 where: bonds (distance) C4'-P energy: -51.725 bonds (distance) P-C4' energy: -38.057 flat angles C4'-P-C4' energy: -42.291 flat angles P-C4'-P energy: -28.646 tors. eta vs tors. theta energy: -4.241 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -272.647516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.647516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.647516 (E_RNA) where: Base-Base interactions energy: -113.160 where: short stacking energy: -98.846 Base-Backbone interact. energy: -0.107 local terms energy: -159.379821 where: bonds (distance) C4'-P energy: -47.902 bonds (distance) P-C4' energy: -53.033 flat angles C4'-P-C4' energy: -32.759 flat angles P-C4'-P energy: -21.235 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1030.913849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.913849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.913849 (E_RNA) where: Base-Base interactions energy: -720.017 where: short stacking energy: -295.110 Base-Backbone interact. energy: -1.995 local terms energy: -308.902311 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -36.431 tors. eta vs tors. theta energy: -88.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1028.038915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.038915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.038915 (E_RNA) where: Base-Base interactions energy: -706.719 where: short stacking energy: -293.594 Base-Backbone interact. energy: -1.700 local terms energy: -319.620136 where: bonds (distance) C4'-P energy: -63.595 bonds (distance) P-C4' energy: -60.549 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -38.805 tors. eta vs tors. theta energy: -87.873 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: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -972.355981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.355981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.355981 (E_RNA) where: Base-Base interactions energy: -689.917 where: short stacking energy: -301.717 Base-Backbone interact. energy: 0.780 local terms energy: -283.218875 where: bonds (distance) C4'-P energy: -56.651 bonds (distance) P-C4' energy: -45.111 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -32.715 tors. eta vs tors. theta energy: -86.055 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: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -915.204051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.204051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.204051 (E_RNA) where: Base-Base interactions energy: -610.921 where: short stacking energy: -280.160 Base-Backbone interact. energy: -2.187 local terms energy: -302.095948 where: bonds (distance) C4'-P energy: -49.869 bonds (distance) P-C4' energy: -64.377 flat angles C4'-P-C4' energy: -62.572 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -81.237 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: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -892.121716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.121716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.121716 (E_RNA) where: Base-Base interactions energy: -619.600 where: short stacking energy: -252.875 Base-Backbone interact. energy: 0.223 local terms energy: -272.744842 where: bonds (distance) C4'-P energy: -41.314 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -52.545 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -72.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -796.679689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.679689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.679689 (E_RNA) where: Base-Base interactions energy: -525.966 where: short stacking energy: -237.144 Base-Backbone interact. energy: -2.308 local terms energy: -268.406166 where: bonds (distance) C4'-P energy: -50.140 bonds (distance) P-C4' energy: -51.073 flat angles C4'-P-C4' energy: -56.494 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -68.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -791.405569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.405569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.405569 (E_RNA) where: Base-Base interactions energy: -549.596 where: short stacking energy: -229.096 Base-Backbone interact. energy: 0.712 local terms energy: -242.522144 where: bonds (distance) C4'-P energy: -45.573 bonds (distance) P-C4' energy: -42.051 flat angles C4'-P-C4' energy: -56.122 flat angles P-C4'-P energy: -30.184 tors. eta vs tors. theta energy: -68.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -610.275550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.275550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.275550 (E_RNA) where: Base-Base interactions energy: -375.663 where: short stacking energy: -188.512 Base-Backbone interact. energy: 1.967 local terms energy: -236.580168 where: bonds (distance) C4'-P energy: -51.567 bonds (distance) P-C4' energy: -53.821 flat angles C4'-P-C4' energy: -52.399 flat angles P-C4'-P energy: -35.133 tors. eta vs tors. theta energy: -43.660 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: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -439.944501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.944501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.944501 (E_RNA) where: Base-Base interactions energy: -234.157 where: short stacking energy: -123.176 Base-Backbone interact. energy: -1.244 local terms energy: -204.543730 where: bonds (distance) C4'-P energy: -50.688 bonds (distance) P-C4' energy: -45.817 flat angles C4'-P-C4' energy: -57.113 flat angles P-C4'-P energy: -24.592 tors. eta vs tors. theta energy: -26.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -309.665625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.665625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.665625 (E_RNA) where: Base-Base interactions energy: -154.451 where: short stacking energy: -115.344 Base-Backbone interact. energy: -0.128 local terms energy: -155.086086 where: bonds (distance) C4'-P energy: -47.963 bonds (distance) P-C4' energy: -43.332 flat angles C4'-P-C4' energy: -35.655 flat angles P-C4'-P energy: -28.268 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1021.778969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.778969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.778969 (E_RNA) where: Base-Base interactions energy: -727.296 where: short stacking energy: -296.377 Base-Backbone interact. energy: -1.011 local terms energy: -293.471868 where: bonds (distance) C4'-P energy: -49.910 bonds (distance) P-C4' energy: -57.921 flat angles C4'-P-C4' energy: -66.750 flat angles P-C4'-P energy: -38.262 tors. eta vs tors. theta energy: -80.629 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: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1010.473329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.473329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.473329 (E_RNA) where: Base-Base interactions energy: -695.378 where: short stacking energy: -305.700 Base-Backbone interact. energy: -1.315 local terms energy: -313.780026 where: bonds (distance) C4'-P energy: -59.018 bonds (distance) P-C4' energy: -55.633 flat angles C4'-P-C4' energy: -67.303 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -88.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -926.417236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.417236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.417236 (E_RNA) where: Base-Base interactions energy: -645.491 where: short stacking energy: -285.976 Base-Backbone interact. energy: -0.472 local terms energy: -280.455209 where: bonds (distance) C4'-P energy: -44.256 bonds (distance) P-C4' energy: -60.377 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -36.071 tors. eta vs tors. theta energy: -74.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -963.472021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.472021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.472021 (E_RNA) where: Base-Base interactions energy: -692.451 where: short stacking energy: -281.077 Base-Backbone interact. energy: -0.157 local terms energy: -270.863564 where: bonds (distance) C4'-P energy: -35.718 bonds (distance) P-C4' energy: -56.977 flat angles C4'-P-C4' energy: -62.174 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -74.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -892.820093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.820093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.820093 (E_RNA) where: Base-Base interactions energy: -622.680 where: short stacking energy: -266.458 Base-Backbone interact. energy: -0.022 local terms energy: -270.117505 where: bonds (distance) C4'-P energy: -43.373 bonds (distance) P-C4' energy: -52.186 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -28.518 tors. eta vs tors. theta energy: -82.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -771.800578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.800578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.800578 (E_RNA) where: Base-Base interactions energy: -509.680 where: short stacking energy: -245.062 Base-Backbone interact. energy: -1.177 local terms energy: -260.943102 where: bonds (distance) C4'-P energy: -47.528 bonds (distance) P-C4' energy: -52.052 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -35.288 tors. eta vs tors. theta energy: -64.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -788.330798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.330798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.330798 (E_RNA) where: Base-Base interactions energy: -528.628 where: short stacking energy: -240.452 Base-Backbone interact. energy: 1.472 local terms energy: -261.174881 where: bonds (distance) C4'-P energy: -55.752 bonds (distance) P-C4' energy: -53.057 flat angles C4'-P-C4' energy: -58.528 flat angles P-C4'-P energy: -31.253 tors. eta vs tors. theta energy: -62.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -644.995627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.995627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.995627 (E_RNA) where: Base-Base interactions energy: -425.908 where: short stacking energy: -171.775 Base-Backbone interact. energy: -0.588 local terms energy: -218.499891 where: bonds (distance) C4'-P energy: -53.975 bonds (distance) P-C4' energy: -44.157 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -27.932 tors. eta vs tors. theta energy: -32.083 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: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -428.820417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.820417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.820417 (E_RNA) where: Base-Base interactions energy: -239.431 where: short stacking energy: -129.187 Base-Backbone interact. energy: 0.338 local terms energy: -189.727515 where: bonds (distance) C4'-P energy: -46.158 bonds (distance) P-C4' energy: -50.016 flat angles C4'-P-C4' energy: -41.175 flat angles P-C4'-P energy: -27.794 tors. eta vs tors. theta energy: -24.584 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: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -269.603736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.603736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.603736 (E_RNA) where: Base-Base interactions energy: -108.369 where: short stacking energy: -83.779 Base-Backbone interact. energy: -1.047 local terms energy: -160.187854 where: bonds (distance) C4'-P energy: -55.495 bonds (distance) P-C4' energy: -39.142 flat angles C4'-P-C4' energy: -40.910 flat angles P-C4'-P energy: -22.274 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1038.218597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.218597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.218597 (E_RNA) where: Base-Base interactions energy: -735.883 where: short stacking energy: -293.790 Base-Backbone interact. energy: -1.123 local terms energy: -301.211971 where: bonds (distance) C4'-P energy: -46.869 bonds (distance) P-C4' energy: -61.426 flat angles C4'-P-C4' energy: -68.947 flat angles P-C4'-P energy: -38.350 tors. eta vs tors. theta energy: -85.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1020.676576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.676576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.676576 (E_RNA) where: Base-Base interactions energy: -713.122 where: short stacking energy: -298.731 Base-Backbone interact. energy: 0.715 local terms energy: -308.269114 where: bonds (distance) C4'-P energy: -56.892 bonds (distance) P-C4' energy: -46.557 flat angles C4'-P-C4' energy: -69.656 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: -89.061 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: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -916.690766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.690766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.690766 (E_RNA) where: Base-Base interactions energy: -617.820 where: short stacking energy: -270.760 Base-Backbone interact. energy: -0.586 local terms energy: -298.284551 where: bonds (distance) C4'-P energy: -56.799 bonds (distance) P-C4' energy: -65.235 flat angles C4'-P-C4' energy: -64.693 flat angles P-C4'-P energy: -34.128 tors. eta vs tors. theta energy: -77.430 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: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -984.373582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.373582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.373582 (E_RNA) where: Base-Base interactions energy: -685.804 where: short stacking energy: -293.770 Base-Backbone interact. energy: 0.307 local terms energy: -298.877367 where: bonds (distance) C4'-P energy: -52.324 bonds (distance) P-C4' energy: -62.371 flat angles C4'-P-C4' energy: -56.686 flat angles P-C4'-P energy: -46.246 tors. eta vs tors. theta energy: -81.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -875.644603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.644603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.644603 (E_RNA) where: Base-Base interactions energy: -604.480 where: short stacking energy: -267.118 Base-Backbone interact. energy: -0.198 local terms energy: -270.966718 where: bonds (distance) C4'-P energy: -56.728 bonds (distance) P-C4' energy: -43.516 flat angles C4'-P-C4' energy: -61.977 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -71.951 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -779.632094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.632094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.632094 (E_RNA) where: Base-Base interactions energy: -511.395 where: short stacking energy: -248.886 Base-Backbone interact. energy: -0.932 local terms energy: -267.304664 where: bonds (distance) C4'-P energy: -57.085 bonds (distance) P-C4' energy: -55.060 flat angles C4'-P-C4' energy: -57.789 flat angles P-C4'-P energy: -33.185 tors. eta vs tors. theta energy: -64.186 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: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -796.022569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.022569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.022569 (E_RNA) where: Base-Base interactions energy: -541.895 where: short stacking energy: -222.989 Base-Backbone interact. energy: -0.622 local terms energy: -253.506041 where: bonds (distance) C4'-P energy: -49.586 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -61.025 flat angles P-C4'-P energy: -20.859 tors. eta vs tors. theta energy: -63.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -668.665182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.665182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.665182 (E_RNA) where: Base-Base interactions energy: -440.024 where: short stacking energy: -202.908 Base-Backbone interact. energy: -0.763 local terms energy: -227.878486 where: bonds (distance) C4'-P energy: -38.400 bonds (distance) P-C4' energy: -52.611 flat angles C4'-P-C4' energy: -58.586 flat angles P-C4'-P energy: -34.338 tors. eta vs tors. theta energy: -43.944 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: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -417.686379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.686379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.686379 (E_RNA) where: Base-Base interactions energy: -238.264 where: short stacking energy: -130.428 Base-Backbone interact. energy: -0.110 local terms energy: -179.312731 where: bonds (distance) C4'-P energy: -37.288 bonds (distance) P-C4' energy: -50.105 flat angles C4'-P-C4' energy: -59.276 flat angles P-C4'-P energy: -13.501 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -279.457647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.457647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.457647 (E_RNA) where: Base-Base interactions energy: -106.364 where: short stacking energy: -72.036 Base-Backbone interact. energy: -1.474 local terms energy: -171.619855 where: bonds (distance) C4'-P energy: -44.716 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -41.307 flat angles P-C4'-P energy: -37.050 tors. eta vs tors. theta energy: 6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1028.579781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.579781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.579781 (E_RNA) where: Base-Base interactions energy: -720.539 where: short stacking energy: -285.979 Base-Backbone interact. energy: 1.010 local terms energy: -309.050415 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -63.662 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: -81.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1030.454144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.454144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.454144 (E_RNA) where: Base-Base interactions energy: -714.961 where: short stacking energy: -313.881 Base-Backbone interact. energy: -1.745 local terms energy: -313.748892 where: bonds (distance) C4'-P energy: -53.982 bonds (distance) P-C4' energy: -56.653 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -44.146 tors. eta vs tors. theta energy: -86.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -985.827074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.827074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.827074 (E_RNA) where: Base-Base interactions energy: -685.599 where: short stacking energy: -291.480 Base-Backbone interact. energy: -1.408 local terms energy: -298.820560 where: bonds (distance) C4'-P energy: -53.641 bonds (distance) P-C4' energy: -55.370 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -48.694 tors. eta vs tors. theta energy: -71.868 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: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -911.772052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.772052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.772052 (E_RNA) where: Base-Base interactions energy: -618.873 where: short stacking energy: -277.108 Base-Backbone interact. energy: -1.223 local terms energy: -291.675641 where: bonds (distance) C4'-P energy: -50.485 bonds (distance) P-C4' energy: -59.755 flat angles C4'-P-C4' energy: -56.901 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -82.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -871.491512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.491512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.491512 (E_RNA) where: Base-Base interactions energy: -594.497 where: short stacking energy: -252.413 Base-Backbone interact. energy: -2.207 local terms energy: -274.788101 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -56.882 flat angles P-C4'-P energy: -32.712 tors. eta vs tors. theta energy: -74.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -766.170092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.170092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.170092 (E_RNA) where: Base-Base interactions energy: -513.481 where: short stacking energy: -241.587 Base-Backbone interact. energy: -0.438 local terms energy: -252.251772 where: bonds (distance) C4'-P energy: -45.268 bonds (distance) P-C4' energy: -50.221 flat angles C4'-P-C4' energy: -62.424 flat angles P-C4'-P energy: -34.151 tors. eta vs tors. theta energy: -60.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -786.327610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.327610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.327610 (E_RNA) where: Base-Base interactions energy: -538.713 where: short stacking energy: -236.340 Base-Backbone interact. energy: -2.138 local terms energy: -245.476368 where: bonds (distance) C4'-P energy: -56.713 bonds (distance) P-C4' energy: -52.384 flat angles C4'-P-C4' energy: -37.205 flat angles P-C4'-P energy: -31.580 tors. eta vs tors. theta energy: -67.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -658.094847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.094847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.094847 (E_RNA) where: Base-Base interactions energy: -420.967 where: short stacking energy: -198.678 Base-Backbone interact. energy: 0.718 local terms energy: -237.845810 where: bonds (distance) C4'-P energy: -50.658 bonds (distance) P-C4' energy: -53.858 flat angles C4'-P-C4' energy: -49.785 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: -47.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -438.581245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.581245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.581245 (E_RNA) where: Base-Base interactions energy: -260.548 where: short stacking energy: -129.646 Base-Backbone interact. energy: 3.463 local terms energy: -181.496563 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -49.156 flat angles C4'-P-C4' energy: -44.724 flat angles P-C4'-P energy: -19.441 tors. eta vs tors. theta energy: -9.924 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -267.839805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.839805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.839805 (E_RNA) where: Base-Base interactions energy: -119.298 where: short stacking energy: -96.130 Base-Backbone interact. energy: 0.050 local terms energy: -148.591668 where: bonds (distance) C4'-P energy: -33.559 bonds (distance) P-C4' energy: -48.780 flat angles C4'-P-C4' energy: -34.367 flat angles P-C4'-P energy: -26.264 tors. eta vs tors. theta energy: -5.622 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: 1, replica: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1033.631615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.631615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.631615 (E_RNA) where: Base-Base interactions energy: -736.770 where: short stacking energy: -312.404 Base-Backbone interact. energy: 1.606 local terms energy: -298.467300 where: bonds (distance) C4'-P energy: -54.699 bonds (distance) P-C4' energy: -49.391 flat angles C4'-P-C4' energy: -60.696 flat angles P-C4'-P energy: -49.614 tors. eta vs tors. theta energy: -84.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1038.916435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.916435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.916435 (E_RNA) where: Base-Base interactions energy: -727.892 where: short stacking energy: -315.681 Base-Backbone interact. energy: -1.074 local terms energy: -309.949932 where: bonds (distance) C4'-P energy: -62.423 bonds (distance) P-C4' energy: -61.601 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -31.099 tors. eta vs tors. theta energy: -91.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -984.007745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.007745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.007745 (E_RNA) where: Base-Base interactions energy: -702.934 where: short stacking energy: -300.947 Base-Backbone interact. energy: 0.163 local terms energy: -281.237466 where: bonds (distance) C4'-P energy: -60.072 bonds (distance) P-C4' energy: -33.345 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -81.177 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: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -880.034209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.034209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.034209 (E_RNA) where: Base-Base interactions energy: -583.403 where: short stacking energy: -253.135 Base-Backbone interact. energy: 0.675 local terms energy: -297.306974 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -64.217 flat angles C4'-P-C4' energy: -58.807 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -69.112 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: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -878.329479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.329479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.329479 (E_RNA) where: Base-Base interactions energy: -593.302 where: short stacking energy: -280.922 Base-Backbone interact. energy: -0.742 local terms energy: -284.285057 where: bonds (distance) C4'-P energy: -48.039 bonds (distance) P-C4' energy: -53.119 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -80.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -821.389240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.389240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.389240 (E_RNA) where: Base-Base interactions energy: -593.861 where: short stacking energy: -254.895 Base-Backbone interact. energy: 4.586 local terms energy: -232.113342 where: bonds (distance) C4'-P energy: -46.144 bonds (distance) P-C4' energy: -37.204 flat angles C4'-P-C4' energy: -51.193 flat angles P-C4'-P energy: -36.215 tors. eta vs tors. theta energy: -61.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -754.836147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.836147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.836147 (E_RNA) where: Base-Base interactions energy: -487.491 where: short stacking energy: -234.858 Base-Backbone interact. energy: -1.060 local terms energy: -266.284807 where: bonds (distance) C4'-P energy: -52.104 bonds (distance) P-C4' energy: -50.902 flat angles C4'-P-C4' energy: -61.426 flat angles P-C4'-P energy: -37.595 tors. eta vs tors. theta energy: -64.259 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: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -658.380648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.380648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.380648 (E_RNA) where: Base-Base interactions energy: -433.824 where: short stacking energy: -187.887 Base-Backbone interact. energy: 0.568 local terms energy: -225.125318 where: bonds (distance) C4'-P energy: -45.266 bonds (distance) P-C4' energy: -51.860 flat angles C4'-P-C4' energy: -53.556 flat angles P-C4'-P energy: -33.055 tors. eta vs tors. theta energy: -41.389 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: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -456.148560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.148560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.148560 (E_RNA) where: Base-Base interactions energy: -272.622 where: short stacking energy: -154.980 Base-Backbone interact. energy: -0.930 local terms energy: -182.596901 where: bonds (distance) C4'-P energy: -44.287 bonds (distance) P-C4' energy: -36.886 flat angles C4'-P-C4' energy: -48.075 flat angles P-C4'-P energy: -33.042 tors. eta vs tors. theta energy: -20.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -251.193718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.193718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.193718 (E_RNA) where: Base-Base interactions energy: -105.088 where: short stacking energy: -63.084 Base-Backbone interact. energy: 4.112 local terms energy: -150.217452 where: bonds (distance) C4'-P energy: -42.932 bonds (distance) P-C4' energy: -59.910 flat angles C4'-P-C4' energy: -42.532 flat angles P-C4'-P energy: -19.861 tors. eta vs tors. theta energy: 15.017 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: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1051.566243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.566243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.566243 (E_RNA) where: Base-Base interactions energy: -728.288 where: short stacking energy: -308.145 Base-Backbone interact. energy: -1.663 local terms energy: -321.614509 where: bonds (distance) C4'-P energy: -64.456 bonds (distance) P-C4' energy: -54.648 flat angles C4'-P-C4' energy: -70.061 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -86.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1024.786149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.786149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.786149 (E_RNA) where: Base-Base interactions energy: -702.515 where: short stacking energy: -302.251 Base-Backbone interact. energy: -1.915 local terms energy: -320.356069 where: bonds (distance) C4'-P energy: -49.469 bonds (distance) P-C4' energy: -63.182 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -89.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -959.237847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.237847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.237847 (E_RNA) where: Base-Base interactions energy: -668.304 where: short stacking energy: -280.888 Base-Backbone interact. energy: 3.550 local terms energy: -294.483126 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -55.442 flat angles C4'-P-C4' energy: -66.056 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -76.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -900.074028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.074028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.074028 (E_RNA) where: Base-Base interactions energy: -622.617 where: short stacking energy: -273.539 Base-Backbone interact. energy: -1.308 local terms energy: -276.148415 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -55.565 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -70.930 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: 330 Temperature: 1.100000 Total energy: -925.480039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.480039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.480039 (E_RNA) where: Base-Base interactions energy: -653.772 where: short stacking energy: -297.423 Base-Backbone interact. energy: 0.628 local terms energy: -272.335827 where: bonds (distance) C4'-P energy: -46.401 bonds (distance) P-C4' energy: -50.470 flat angles C4'-P-C4' energy: -61.480 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -74.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -818.295916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.295916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.295916 (E_RNA) where: Base-Base interactions energy: -555.151 where: short stacking energy: -239.951 Base-Backbone interact. energy: -1.610 local terms energy: -261.534757 where: bonds (distance) C4'-P energy: -51.711 bonds (distance) P-C4' energy: -52.493 flat angles C4'-P-C4' energy: -56.678 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: -59.112 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: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -732.113074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.113074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.113074 (E_RNA) where: Base-Base interactions energy: -477.419 where: short stacking energy: -229.644 Base-Backbone interact. energy: -1.471 local terms energy: -253.222973 where: bonds (distance) C4'-P energy: -46.445 bonds (distance) P-C4' energy: -45.373 flat angles C4'-P-C4' energy: -57.851 flat angles P-C4'-P energy: -49.700 tors. eta vs tors. theta energy: -53.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -710.136659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.136659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.136659 (E_RNA) where: Base-Base interactions energy: -486.341 where: short stacking energy: -208.413 Base-Backbone interact. energy: -1.954 local terms energy: -221.842121 where: bonds (distance) C4'-P energy: -51.380 bonds (distance) P-C4' energy: -50.804 flat angles C4'-P-C4' energy: -46.311 flat angles P-C4'-P energy: -32.578 tors. eta vs tors. theta energy: -40.770 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: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -453.313092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.313092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.313092 (E_RNA) where: Base-Base interactions energy: -267.978 where: short stacking energy: -148.558 Base-Backbone interact. energy: -1.092 local terms energy: -184.243036 where: bonds (distance) C4'-P energy: -43.136 bonds (distance) P-C4' energy: -51.468 flat angles C4'-P-C4' energy: -53.386 flat angles P-C4'-P energy: -25.386 tors. eta vs tors. theta energy: -10.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -259.366097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.366097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.366097 (E_RNA) where: Base-Base interactions energy: -93.800 where: short stacking energy: -81.808 Base-Backbone interact. energy: -1.008 local terms energy: -164.557833 where: bonds (distance) C4'-P energy: -45.484 bonds (distance) P-C4' energy: -52.605 flat angles C4'-P-C4' energy: -42.051 flat angles P-C4'-P energy: -24.194 tors. eta vs tors. theta energy: -0.224 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: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1038.267677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.267677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.267677 (E_RNA) where: Base-Base interactions energy: -725.762 where: short stacking energy: -294.107 Base-Backbone interact. energy: 1.616 local terms energy: -314.121485 where: bonds (distance) C4'-P energy: -51.140 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -69.090 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -86.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1005.360898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.360898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.360898 (E_RNA) where: Base-Base interactions energy: -704.624 where: short stacking energy: -309.421 Base-Backbone interact. energy: -0.739 local terms energy: -299.997677 where: bonds (distance) C4'-P energy: -44.979 bonds (distance) P-C4' energy: -58.097 flat angles C4'-P-C4' energy: -65.949 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -87.425 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: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -953.163032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.163032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.163032 (E_RNA) where: Base-Base interactions energy: -654.370 where: short stacking energy: -271.680 Base-Backbone interact. energy: -1.681 local terms energy: -297.112187 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -56.798 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -75.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -918.054324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.054324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.054324 (E_RNA) where: Base-Base interactions energy: -630.749 where: short stacking energy: -265.203 Base-Backbone interact. energy: -0.261 local terms energy: -287.045184 where: bonds (distance) C4'-P energy: -57.160 bonds (distance) P-C4' energy: -55.164 flat angles C4'-P-C4' energy: -66.305 flat angles P-C4'-P energy: -36.671 tors. eta vs tors. theta energy: -71.745 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: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -893.417932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.417932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.417932 (E_RNA) where: Base-Base interactions energy: -603.296 where: short stacking energy: -277.385 Base-Backbone interact. energy: 0.725 local terms energy: -290.847422 where: bonds (distance) C4'-P energy: -48.071 bonds (distance) P-C4' energy: -60.927 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: -77.948 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: 331 Temperature: 1.150000 Total energy: -828.335990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.335990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.335990 (E_RNA) where: Base-Base interactions energy: -577.394 where: short stacking energy: -254.462 Base-Backbone interact. energy: -0.561 local terms energy: -250.381104 where: bonds (distance) C4'-P energy: -49.504 bonds (distance) P-C4' energy: -42.781 flat angles C4'-P-C4' energy: -58.337 flat angles P-C4'-P energy: -35.581 tors. eta vs tors. theta energy: -64.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -734.507025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.507025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.507025 (E_RNA) where: Base-Base interactions energy: -495.621 where: short stacking energy: -233.574 Base-Backbone interact. energy: -0.291 local terms energy: -238.595115 where: bonds (distance) C4'-P energy: -47.308 bonds (distance) P-C4' energy: -49.695 flat angles C4'-P-C4' energy: -55.561 flat angles P-C4'-P energy: -32.667 tors. eta vs tors. theta energy: -53.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -726.596846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.596846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.596846 (E_RNA) where: Base-Base interactions energy: -484.571 where: short stacking energy: -202.766 Base-Backbone interact. energy: -1.216 local terms energy: -240.809844 where: bonds (distance) C4'-P energy: -51.488 bonds (distance) P-C4' energy: -39.615 flat angles C4'-P-C4' energy: -58.643 flat angles P-C4'-P energy: -35.853 tors. eta vs tors. theta energy: -55.210 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: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -493.018355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.018355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.018355 (E_RNA) where: Base-Base interactions energy: -308.806 where: short stacking energy: -133.071 Base-Backbone interact. energy: 2.543 local terms energy: -186.755638 where: bonds (distance) C4'-P energy: -45.380 bonds (distance) P-C4' energy: -56.948 flat angles C4'-P-C4' energy: -49.680 flat angles P-C4'-P energy: -26.234 tors. eta vs tors. theta energy: -8.514 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: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -256.275210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.275210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.275210 (E_RNA) where: Base-Base interactions energy: -101.743 where: short stacking energy: -81.247 Base-Backbone interact. energy: -0.874 local terms energy: -153.658267 where: bonds (distance) C4'-P energy: -42.550 bonds (distance) P-C4' energy: -59.451 flat angles C4'-P-C4' energy: -37.987 flat angles P-C4'-P energy: -27.612 tors. eta vs tors. theta energy: 13.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1032.529057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.529057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.529057 (E_RNA) where: Base-Base interactions energy: -713.648 where: short stacking energy: -305.022 Base-Backbone interact. energy: 0.302 local terms energy: -319.182690 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -63.853 flat angles C4'-P-C4' energy: -63.010 flat angles P-C4'-P energy: -48.450 tors. eta vs tors. theta energy: -86.788 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: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1043.516081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.516081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.516081 (E_RNA) where: Base-Base interactions energy: -725.873 where: short stacking energy: -326.197 Base-Backbone interact. energy: 0.912 local terms energy: -318.554853 where: bonds (distance) C4'-P energy: -51.994 bonds (distance) P-C4' energy: -60.043 flat angles C4'-P-C4' energy: -67.503 flat angles P-C4'-P energy: -48.809 tors. eta vs tors. theta energy: -90.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -971.733941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.733941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.733941 (E_RNA) where: Base-Base interactions energy: -700.184 where: short stacking energy: -300.134 Base-Backbone interact. energy: -2.278 local terms energy: -269.271732 where: bonds (distance) C4'-P energy: -40.513 bonds (distance) P-C4' energy: -49.046 flat angles C4'-P-C4' energy: -57.572 flat angles P-C4'-P energy: -36.931 tors. eta vs tors. theta energy: -85.209 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: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -936.251584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.251584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.251584 (E_RNA) where: Base-Base interactions energy: -651.209 where: short stacking energy: -269.588 Base-Backbone interact. energy: -0.518 local terms energy: -284.524600 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -50.174 flat angles C4'-P-C4' energy: -60.845 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -73.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -921.487019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.487019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.487019 (E_RNA) where: Base-Base interactions energy: -614.268 where: short stacking energy: -269.431 Base-Backbone interact. energy: -2.229 local terms energy: -304.989679 where: bonds (distance) C4'-P energy: -60.091 bonds (distance) P-C4' energy: -57.863 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -34.215 tors. eta vs tors. theta energy: -81.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -820.467164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.467164 (E_RNA) where: Base-Base interactions energy: -566.648 where: short stacking energy: -239.070 Base-Backbone interact. energy: 1.569 local terms energy: -255.387748 where: bonds (distance) C4'-P energy: -55.641 bonds (distance) P-C4' energy: -54.743 flat angles C4'-P-C4' energy: -55.240 flat angles P-C4'-P energy: -27.991 tors. eta vs tors. theta energy: -61.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -734.445128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.445128 (E_RNA) where: Base-Base interactions energy: -490.660 where: short stacking energy: -238.202 Base-Backbone interact. energy: 0.580 local terms energy: -244.364712 where: bonds (distance) C4'-P energy: -46.592 bonds (distance) P-C4' energy: -52.873 flat angles C4'-P-C4' energy: -58.979 flat angles P-C4'-P energy: -27.355 tors. eta vs tors. theta energy: -58.566 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: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -713.617189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.617189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.617189 (E_RNA) where: Base-Base interactions energy: -468.597 where: short stacking energy: -214.654 Base-Backbone interact. energy: -0.776 local terms energy: -244.243788 where: bonds (distance) C4'-P energy: -58.153 bonds (distance) P-C4' energy: -51.652 flat angles C4'-P-C4' energy: -49.146 flat angles P-C4'-P energy: -38.317 tors. eta vs tors. theta energy: -46.975 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: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -504.413292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.413292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.413292 (E_RNA) where: Base-Base interactions energy: -312.998 where: short stacking energy: -133.935 Base-Backbone interact. energy: -1.719 local terms energy: -189.695530 where: bonds (distance) C4'-P energy: -40.187 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -54.142 flat angles P-C4'-P energy: -28.111 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -287.143903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.143903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.143903 (E_RNA) where: Base-Base interactions energy: -109.958 where: short stacking energy: -94.104 Base-Backbone interact. energy: -1.078 local terms energy: -176.107884 where: bonds (distance) C4'-P energy: -49.970 bonds (distance) P-C4' energy: -44.936 flat angles C4'-P-C4' energy: -45.313 flat angles P-C4'-P energy: -31.259 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1020.850358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.850358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.850358 (E_RNA) where: Base-Base interactions energy: -711.851 where: short stacking energy: -297.541 Base-Backbone interact. energy: 0.379 local terms energy: -309.377548 where: bonds (distance) C4'-P energy: -52.585 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -78.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1029.915199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.915199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.915199 (E_RNA) where: Base-Base interactions energy: -705.278 where: short stacking energy: -305.097 Base-Backbone interact. energy: -1.029 local terms energy: -323.607755 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -61.841 flat angles C4'-P-C4' energy: -67.784 flat angles P-C4'-P energy: -40.621 tors. eta vs tors. theta energy: -87.246 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: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -948.260624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.260624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.260624 (E_RNA) where: Base-Base interactions energy: -660.974 where: short stacking energy: -279.469 Base-Backbone interact. energy: 1.088 local terms energy: -288.374740 where: bonds (distance) C4'-P energy: -52.309 bonds (distance) P-C4' energy: -61.908 flat angles C4'-P-C4' energy: -65.407 flat angles P-C4'-P energy: -33.110 tors. eta vs tors. theta energy: -75.641 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: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -910.137830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.137830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.137830 (E_RNA) where: Base-Base interactions energy: -615.614 where: short stacking energy: -257.242 Base-Backbone interact. energy: -1.262 local terms energy: -293.262790 where: bonds (distance) C4'-P energy: -59.467 bonds (distance) P-C4' energy: -53.209 flat angles C4'-P-C4' energy: -60.622 flat angles P-C4'-P energy: -41.416 tors. eta vs tors. theta energy: -78.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -876.020942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.020942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.020942 (E_RNA) where: Base-Base interactions energy: -589.281 where: short stacking energy: -270.897 Base-Backbone interact. energy: -1.083 local terms energy: -285.657162 where: bonds (distance) C4'-P energy: -48.928 bonds (distance) P-C4' energy: -61.355 flat angles C4'-P-C4' energy: -55.254 flat angles P-C4'-P energy: -39.406 tors. eta vs tors. theta energy: -80.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -849.258259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.258259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.258259 (E_RNA) where: Base-Base interactions energy: -591.989 where: short stacking energy: -230.988 Base-Backbone interact. energy: 1.335 local terms energy: -258.603432 where: bonds (distance) C4'-P energy: -55.408 bonds (distance) P-C4' energy: -51.046 flat angles C4'-P-C4' energy: -55.412 flat angles P-C4'-P energy: -37.401 tors. eta vs tors. theta energy: -59.337 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: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -758.593495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.593495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.593495 (E_RNA) where: Base-Base interactions energy: -499.404 where: short stacking energy: -224.774 Base-Backbone interact. energy: -1.680 local terms energy: -257.509945 where: bonds (distance) C4'-P energy: -35.858 bonds (distance) P-C4' energy: -57.642 flat angles C4'-P-C4' energy: -49.912 flat angles P-C4'-P energy: -41.476 tors. eta vs tors. theta energy: -72.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -723.391103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.391103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.391103 (E_RNA) where: Base-Base interactions energy: -486.844 where: short stacking energy: -232.870 Base-Backbone interact. energy: -1.734 local terms energy: -234.812344 where: bonds (distance) C4'-P energy: -47.493 bonds (distance) P-C4' energy: -55.098 flat angles C4'-P-C4' energy: -51.492 flat angles P-C4'-P energy: -28.022 tors. eta vs tors. theta energy: -52.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -505.743035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.743035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.743035 (E_RNA) where: Base-Base interactions energy: -303.909 where: short stacking energy: -134.993 Base-Backbone interact. energy: -2.739 local terms energy: -199.094948 where: bonds (distance) C4'-P energy: -43.760 bonds (distance) P-C4' energy: -57.107 flat angles C4'-P-C4' energy: -47.344 flat angles P-C4'-P energy: -33.011 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -276.847118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.847118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.847118 (E_RNA) where: Base-Base interactions energy: -119.766 where: short stacking energy: -92.105 Base-Backbone interact. energy: 2.002 local terms energy: -159.083616 where: bonds (distance) C4'-P energy: -37.413 bonds (distance) P-C4' energy: -48.354 flat angles C4'-P-C4' energy: -44.884 flat angles P-C4'-P energy: -29.841 tors. eta vs tors. theta energy: 1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1037.387392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.387392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.387392 (E_RNA) where: Base-Base interactions energy: -720.618 where: short stacking energy: -297.121 Base-Backbone interact. energy: -0.880 local terms energy: -315.889348 where: bonds (distance) C4'-P energy: -62.915 bonds (distance) P-C4' energy: -58.259 flat angles C4'-P-C4' energy: -62.233 flat angles P-C4'-P energy: -43.900 tors. eta vs tors. theta energy: -88.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1023.793964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.793964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.793964 (E_RNA) where: Base-Base interactions energy: -713.446 where: short stacking energy: -315.361 Base-Backbone interact. energy: -0.959 local terms energy: -309.389164 where: bonds (distance) C4'-P energy: -58.627 bonds (distance) P-C4' energy: -53.113 flat angles C4'-P-C4' energy: -59.843 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -93.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -931.538433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.538433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.538433 (E_RNA) where: Base-Base interactions energy: -651.597 where: short stacking energy: -276.246 Base-Backbone interact. energy: -1.319 local terms energy: -278.622893 where: bonds (distance) C4'-P energy: -61.021 bonds (distance) P-C4' energy: -46.497 flat angles C4'-P-C4' energy: -60.064 flat angles P-C4'-P energy: -38.186 tors. eta vs tors. theta energy: -72.855 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: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -900.629181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.629181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.629181 (E_RNA) where: Base-Base interactions energy: -615.349 where: short stacking energy: -253.816 Base-Backbone interact. energy: -1.530 local terms energy: -283.749811 where: bonds (distance) C4'-P energy: -56.877 bonds (distance) P-C4' energy: -63.044 flat angles C4'-P-C4' energy: -55.918 flat angles P-C4'-P energy: -37.636 tors. eta vs tors. theta energy: -70.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -845.847124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.847124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.847124 (E_RNA) where: Base-Base interactions energy: -573.634 where: short stacking energy: -244.755 Base-Backbone interact. energy: -0.036 local terms energy: -272.178005 where: bonds (distance) C4'-P energy: -54.662 bonds (distance) P-C4' energy: -50.319 flat angles C4'-P-C4' energy: -68.064 flat angles P-C4'-P energy: -33.505 tors. eta vs tors. theta energy: -65.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -880.217989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.217989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.217989 (E_RNA) where: Base-Base interactions energy: -615.409 where: short stacking energy: -255.130 Base-Backbone interact. energy: -0.594 local terms energy: -264.214572 where: bonds (distance) C4'-P energy: -50.934 bonds (distance) P-C4' energy: -53.410 flat angles C4'-P-C4' energy: -63.854 flat angles P-C4'-P energy: -27.519 tors. eta vs tors. theta energy: -68.498 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: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -766.272563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.272563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.272563 (E_RNA) where: Base-Base interactions energy: -501.621 where: short stacking energy: -232.999 Base-Backbone interact. energy: -0.352 local terms energy: -264.299455 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -59.383 flat angles C4'-P-C4' energy: -55.670 flat angles P-C4'-P energy: -42.458 tors. eta vs tors. theta energy: -58.708 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: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -719.592062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.592062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.592062 (E_RNA) where: Base-Base interactions energy: -493.465 where: short stacking energy: -234.265 Base-Backbone interact. energy: -0.228 local terms energy: -225.899184 where: bonds (distance) C4'-P energy: -37.275 bonds (distance) P-C4' energy: -51.187 flat angles C4'-P-C4' energy: -55.472 flat angles P-C4'-P energy: -29.470 tors. eta vs tors. theta energy: -52.495 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: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -510.399456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.399456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.399456 (E_RNA) where: Base-Base interactions energy: -317.635 where: short stacking energy: -146.943 Base-Backbone interact. energy: 0.613 local terms energy: -193.377609 where: bonds (distance) C4'-P energy: -46.880 bonds (distance) P-C4' energy: -51.842 flat angles C4'-P-C4' energy: -38.380 flat angles P-C4'-P energy: -31.815 tors. eta vs tors. theta energy: -24.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -252.872776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.872776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.872776 (E_RNA) where: Base-Base interactions energy: -109.219 where: short stacking energy: -80.053 Base-Backbone interact. energy: -0.647 local terms energy: -143.006462 where: bonds (distance) C4'-P energy: -26.507 bonds (distance) P-C4' energy: -42.503 flat angles C4'-P-C4' energy: -45.513 flat angles P-C4'-P energy: -28.610 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1034.677973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.677973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.677973 (E_RNA) where: Base-Base interactions energy: -723.461 where: short stacking energy: -287.169 Base-Backbone interact. energy: -1.027 local terms energy: -310.190219 where: bonds (distance) C4'-P energy: -56.438 bonds (distance) P-C4' energy: -67.297 flat angles C4'-P-C4' energy: -61.836 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -81.114 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: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1041.387763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.387763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.387763 (E_RNA) where: Base-Base interactions energy: -718.870 where: short stacking energy: -310.008 Base-Backbone interact. energy: -0.460 local terms energy: -322.057567 where: bonds (distance) C4'-P energy: -59.175 bonds (distance) P-C4' energy: -62.470 flat angles C4'-P-C4' energy: -55.263 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -943.170552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.170552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.170552 (E_RNA) where: Base-Base interactions energy: -658.450 where: short stacking energy: -278.762 Base-Backbone interact. energy: -1.644 local terms energy: -283.076132 where: bonds (distance) C4'-P energy: -52.447 bonds (distance) P-C4' energy: -56.549 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -68.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -902.919442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.919442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.919442 (E_RNA) where: Base-Base interactions energy: -634.416 where: short stacking energy: -278.009 Base-Backbone interact. energy: -0.922 local terms energy: -267.581043 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -52.242 flat angles C4'-P-C4' energy: -53.935 flat angles P-C4'-P energy: -32.859 tors. eta vs tors. theta energy: -70.650 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: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -906.472458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.472458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.472458 (E_RNA) where: Base-Base interactions energy: -639.053 where: short stacking energy: -282.685 Base-Backbone interact. energy: -0.571 local terms energy: -266.847840 where: bonds (distance) C4'-P energy: -40.636 bonds (distance) P-C4' energy: -54.256 flat angles C4'-P-C4' energy: -57.713 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: -80.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -817.930803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.930803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.930803 (E_RNA) where: Base-Base interactions energy: -572.023 where: short stacking energy: -221.086 Base-Backbone interact. energy: -1.698 local terms energy: -244.209521 where: bonds (distance) C4'-P energy: -47.946 bonds (distance) P-C4' energy: -59.684 flat angles C4'-P-C4' energy: -40.975 flat angles P-C4'-P energy: -36.522 tors. eta vs tors. theta energy: -59.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -739.988691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.988691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.988691 (E_RNA) where: Base-Base interactions energy: -482.583 where: short stacking energy: -221.139 Base-Backbone interact. energy: 0.508 local terms energy: -257.913530 where: bonds (distance) C4'-P energy: -50.375 bonds (distance) P-C4' energy: -57.730 flat angles C4'-P-C4' energy: -54.680 flat angles P-C4'-P energy: -32.735 tors. eta vs tors. theta energy: -62.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -697.438729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.438729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.438729 (E_RNA) where: Base-Base interactions energy: -454.975 where: short stacking energy: -204.457 Base-Backbone interact. energy: -1.201 local terms energy: -241.262867 where: bonds (distance) C4'-P energy: -38.030 bonds (distance) P-C4' energy: -52.579 flat angles C4'-P-C4' energy: -56.609 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -55.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -504.257938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.257938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.257938 (E_RNA) where: Base-Base interactions energy: -293.721 where: short stacking energy: -147.038 Base-Backbone interact. energy: -1.946 local terms energy: -208.590965 where: bonds (distance) C4'-P energy: -50.582 bonds (distance) P-C4' energy: -49.813 flat angles C4'-P-C4' energy: -51.159 flat angles P-C4'-P energy: -28.408 tors. eta vs tors. theta energy: -28.628 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: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -262.766884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.766884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.766884 (E_RNA) where: Base-Base interactions energy: -77.668 where: short stacking energy: -63.745 Base-Backbone interact. energy: 1.079 local terms energy: -186.178335 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -56.959 flat angles C4'-P-C4' energy: -45.960 flat angles P-C4'-P energy: -28.986 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1029.173166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.173166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.173166 (E_RNA) where: Base-Base interactions energy: -714.966 where: short stacking energy: -315.727 Base-Backbone interact. energy: -1.667 local terms energy: -312.540051 where: bonds (distance) C4'-P energy: -51.674 bonds (distance) P-C4' energy: -63.091 flat angles C4'-P-C4' energy: -63.795 flat angles P-C4'-P energy: -43.500 tors. eta vs tors. theta energy: -90.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1005.650384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.650384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.650384 (E_RNA) where: Base-Base interactions energy: -699.057 where: short stacking energy: -299.695 Base-Backbone interact. energy: -1.108 local terms energy: -305.486060 where: bonds (distance) C4'-P energy: -50.188 bonds (distance) P-C4' energy: -61.401 flat angles C4'-P-C4' energy: -68.065 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -82.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -948.191606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.191606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.191606 (E_RNA) where: Base-Base interactions energy: -649.266 where: short stacking energy: -269.794 Base-Backbone interact. energy: -0.694 local terms energy: -298.232089 where: bonds (distance) C4'-P energy: -60.051 bonds (distance) P-C4' energy: -50.662 flat angles C4'-P-C4' energy: -64.423 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -72.395 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: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -877.703605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.703605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.703605 (E_RNA) where: Base-Base interactions energy: -592.412 where: short stacking energy: -264.943 Base-Backbone interact. energy: -0.806 local terms energy: -284.485162 where: bonds (distance) C4'-P energy: -53.643 bonds (distance) P-C4' energy: -50.227 flat angles C4'-P-C4' energy: -66.470 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: -68.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -851.140935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.140935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.140935 (E_RNA) where: Base-Base interactions energy: -574.529 where: short stacking energy: -262.702 Base-Backbone interact. energy: -2.142 local terms energy: -274.469169 where: bonds (distance) C4'-P energy: -57.067 bonds (distance) P-C4' energy: -48.069 flat angles C4'-P-C4' energy: -58.203 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -69.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -847.154591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.154591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.154591 (E_RNA) where: Base-Base interactions energy: -587.015 where: short stacking energy: -238.754 Base-Backbone interact. energy: -0.824 local terms energy: -259.315339 where: bonds (distance) C4'-P energy: -47.717 bonds (distance) P-C4' energy: -49.872 flat angles C4'-P-C4' energy: -55.622 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -68.911 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: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -767.482849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.482849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.482849 (E_RNA) where: Base-Base interactions energy: -517.381 where: short stacking energy: -233.431 Base-Backbone interact. energy: -0.017 local terms energy: -250.085547 where: bonds (distance) C4'-P energy: -40.446 bonds (distance) P-C4' energy: -47.556 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -42.797 tors. eta vs tors. theta energy: -61.407 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: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -743.956143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.956143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.956143 (E_RNA) where: Base-Base interactions energy: -505.681 where: short stacking energy: -236.346 Base-Backbone interact. energy: 0.185 local terms energy: -238.459790 where: bonds (distance) C4'-P energy: -45.477 bonds (distance) P-C4' energy: -49.510 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -39.714 tors. eta vs tors. theta energy: -51.927 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: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -506.750006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.750006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.750006 (E_RNA) where: Base-Base interactions energy: -310.635 where: short stacking energy: -169.000 Base-Backbone interact. energy: -0.296 local terms energy: -195.819042 where: bonds (distance) C4'-P energy: -48.782 bonds (distance) P-C4' energy: -53.584 flat angles C4'-P-C4' energy: -36.718 flat angles P-C4'-P energy: -14.348 tors. eta vs tors. theta energy: -42.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -257.230773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.230773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.230773 (E_RNA) where: Base-Base interactions energy: -107.276 where: short stacking energy: -81.376 Base-Backbone interact. energy: -2.318 local terms energy: -147.637145 where: bonds (distance) C4'-P energy: -36.270 bonds (distance) P-C4' energy: -50.997 flat angles C4'-P-C4' energy: -44.965 flat angles P-C4'-P energy: -29.007 tors. eta vs tors. theta energy: 13.602 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: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1044.349182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.349182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.349182 (E_RNA) where: Base-Base interactions energy: -710.816 where: short stacking energy: -318.680 Base-Backbone interact. energy: -0.644 local terms energy: -332.889354 where: bonds (distance) C4'-P energy: -62.302 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -70.076 flat angles P-C4'-P energy: -43.316 tors. eta vs tors. theta energy: -89.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1008.629923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.629923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.629923 (E_RNA) where: Base-Base interactions energy: -711.014 where: short stacking energy: -302.049 Base-Backbone interact. energy: -0.698 local terms energy: -296.918465 where: bonds (distance) C4'-P energy: -61.442 bonds (distance) P-C4' energy: -51.510 flat angles C4'-P-C4' energy: -57.413 flat angles P-C4'-P energy: -47.662 tors. eta vs tors. theta energy: -78.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -965.294667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.294667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.294667 (E_RNA) where: Base-Base interactions energy: -670.181 where: short stacking energy: -278.161 Base-Backbone interact. energy: -1.896 local terms energy: -293.218310 where: bonds (distance) C4'-P energy: -48.618 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -71.462 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -74.907 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: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -884.060440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.060440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.060440 (E_RNA) where: Base-Base interactions energy: -603.265 where: short stacking energy: -265.267 Base-Backbone interact. energy: 0.535 local terms energy: -281.330379 where: bonds (distance) C4'-P energy: -59.632 bonds (distance) P-C4' energy: -55.474 flat angles C4'-P-C4' energy: -57.983 flat angles P-C4'-P energy: -32.568 tors. eta vs tors. theta energy: -75.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -849.192837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.192837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.192837 (E_RNA) where: Base-Base interactions energy: -582.427 where: short stacking energy: -272.322 Base-Backbone interact. energy: -0.652 local terms energy: -266.113958 where: bonds (distance) C4'-P energy: -49.070 bonds (distance) P-C4' energy: -57.021 flat angles C4'-P-C4' energy: -58.322 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -63.234 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: 337 Temperature: 1.150000 Total energy: -844.386597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.386597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.386597 (E_RNA) where: Base-Base interactions energy: -570.105 where: short stacking energy: -240.102 Base-Backbone interact. energy: -0.930 local terms energy: -273.350898 where: bonds (distance) C4'-P energy: -56.693 bonds (distance) P-C4' energy: -58.869 flat angles C4'-P-C4' energy: -50.168 flat angles P-C4'-P energy: -35.795 tors. eta vs tors. theta energy: -71.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -771.018095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.018095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.018095 (E_RNA) where: Base-Base interactions energy: -511.948 where: short stacking energy: -233.918 Base-Backbone interact. energy: -2.864 local terms energy: -256.205462 where: bonds (distance) C4'-P energy: -52.212 bonds (distance) P-C4' energy: -53.996 flat angles C4'-P-C4' energy: -56.364 flat angles P-C4'-P energy: -25.978 tors. eta vs tors. theta energy: -67.656 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: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -718.025096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.025096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.025096 (E_RNA) where: Base-Base interactions energy: -503.566 where: short stacking energy: -219.786 Base-Backbone interact. energy: -0.613 local terms energy: -213.845882 where: bonds (distance) C4'-P energy: -34.336 bonds (distance) P-C4' energy: -46.533 flat angles C4'-P-C4' energy: -52.251 flat angles P-C4'-P energy: -25.879 tors. eta vs tors. theta energy: -54.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -483.790355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.790355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.790355 (E_RNA) where: Base-Base interactions energy: -294.879 where: short stacking energy: -136.789 Base-Backbone interact. energy: -0.443 local terms energy: -188.468232 where: bonds (distance) C4'-P energy: -41.476 bonds (distance) P-C4' energy: -49.049 flat angles C4'-P-C4' energy: -42.515 flat angles P-C4'-P energy: -26.045 tors. eta vs tors. theta energy: -29.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -256.469763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.469763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.469763 (E_RNA) where: Base-Base interactions energy: -111.349 where: short stacking energy: -94.840 Base-Backbone interact. energy: -0.724 local terms energy: -144.396468 where: bonds (distance) C4'-P energy: -47.608 bonds (distance) P-C4' energy: -47.544 flat angles C4'-P-C4' energy: -33.602 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1039.785555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.785555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.785555 (E_RNA) where: Base-Base interactions energy: -722.756 where: short stacking energy: -303.380 Base-Backbone interact. energy: -2.040 local terms energy: -314.989511 where: bonds (distance) C4'-P energy: -63.795 bonds (distance) P-C4' energy: -61.600 flat angles C4'-P-C4' energy: -58.099 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -86.202 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: 2, replica: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1013.295009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.295009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.295009 (E_RNA) where: Base-Base interactions energy: -717.646 where: short stacking energy: -322.878 Base-Backbone interact. energy: -1.784 local terms energy: -293.865315 where: bonds (distance) C4'-P energy: -46.280 bonds (distance) P-C4' energy: -50.029 flat angles C4'-P-C4' energy: -65.045 flat angles P-C4'-P energy: -40.086 tors. eta vs tors. theta energy: -92.425 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: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -991.652162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.652162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.652162 (E_RNA) where: Base-Base interactions energy: -701.000 where: short stacking energy: -294.034 Base-Backbone interact. energy: -1.070 local terms energy: -289.582358 where: bonds (distance) C4'-P energy: -58.276 bonds (distance) P-C4' energy: -50.747 flat angles C4'-P-C4' energy: -61.821 flat angles P-C4'-P energy: -40.987 tors. eta vs tors. theta energy: -77.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -862.760779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.760779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.760779 (E_RNA) where: Base-Base interactions energy: -580.568 where: short stacking energy: -246.913 Base-Backbone interact. energy: -0.749 local terms energy: -281.443537 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -53.708 flat angles C4'-P-C4' energy: -56.762 flat angles P-C4'-P energy: -40.920 tors. eta vs tors. theta energy: -74.056 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: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -848.293622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.293622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.293622 (E_RNA) where: Base-Base interactions energy: -592.086 where: short stacking energy: -251.867 Base-Backbone interact. energy: -0.619 local terms energy: -255.588616 where: bonds (distance) C4'-P energy: -47.149 bonds (distance) P-C4' energy: -46.955 flat angles C4'-P-C4' energy: -53.029 flat angles P-C4'-P energy: -31.772 tors. eta vs tors. theta energy: -76.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -848.018200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.018200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.018200 (E_RNA) where: Base-Base interactions energy: -571.291 where: short stacking energy: -256.342 Base-Backbone interact. energy: 1.515 local terms energy: -278.242561 where: bonds (distance) C4'-P energy: -53.327 bonds (distance) P-C4' energy: -59.409 flat angles C4'-P-C4' energy: -57.609 flat angles P-C4'-P energy: -30.778 tors. eta vs tors. theta energy: -77.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -763.149318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.149318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.149318 (E_RNA) where: Base-Base interactions energy: -510.749 where: short stacking energy: -236.015 Base-Backbone interact. energy: 0.601 local terms energy: -253.001182 where: bonds (distance) C4'-P energy: -44.562 bonds (distance) P-C4' energy: -47.531 flat angles C4'-P-C4' energy: -65.639 flat angles P-C4'-P energy: -38.890 tors. eta vs tors. theta energy: -56.379 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: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -722.478614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.478614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.478614 (E_RNA) where: Base-Base interactions energy: -497.384 where: short stacking energy: -219.144 Base-Backbone interact. energy: -2.786 local terms energy: -222.308733 where: bonds (distance) C4'-P energy: -46.975 bonds (distance) P-C4' energy: -48.418 flat angles C4'-P-C4' energy: -44.697 flat angles P-C4'-P energy: -23.639 tors. eta vs tors. theta energy: -58.579 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: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -476.803577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.803577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.803577 (E_RNA) where: Base-Base interactions energy: -284.285 where: short stacking energy: -130.870 Base-Backbone interact. energy: -0.259 local terms energy: -192.259676 where: bonds (distance) C4'-P energy: -46.235 bonds (distance) P-C4' energy: -48.208 flat angles C4'-P-C4' energy: -51.418 flat angles P-C4'-P energy: -29.937 tors. eta vs tors. theta energy: -16.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -284.697123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.697123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.697123 (E_RNA) where: Base-Base interactions energy: -122.054 where: short stacking energy: -83.793 Base-Backbone interact. energy: -1.499 local terms energy: -161.143974 where: bonds (distance) C4'-P energy: -44.216 bonds (distance) P-C4' energy: -49.504 flat angles C4'-P-C4' energy: -44.739 flat angles P-C4'-P energy: -23.832 tors. eta vs tors. theta energy: 1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1021.359669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.359669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.359669 (E_RNA) where: Base-Base interactions energy: -705.099 where: short stacking energy: -306.219 Base-Backbone interact. energy: -0.745 local terms energy: -315.515317 where: bonds (distance) C4'-P energy: -60.394 bonds (distance) P-C4' energy: -65.022 flat angles C4'-P-C4' energy: -62.566 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -83.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1024.429417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.429417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.429417 (E_RNA) where: Base-Base interactions energy: -715.923 where: short stacking energy: -300.863 Base-Backbone interact. energy: -1.314 local terms energy: -307.192523 where: bonds (distance) C4'-P energy: -56.608 bonds (distance) P-C4' energy: -51.407 flat angles C4'-P-C4' energy: -63.920 flat angles P-C4'-P energy: -45.869 tors. eta vs tors. theta energy: -89.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -990.623481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.623481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.623481 (E_RNA) where: Base-Base interactions energy: -701.369 where: short stacking energy: -296.867 Base-Backbone interact. energy: -0.404 local terms energy: -288.850011 where: bonds (distance) C4'-P energy: -58.428 bonds (distance) P-C4' energy: -55.504 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -76.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -837.468562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.468562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.468562 (E_RNA) where: Base-Base interactions energy: -590.863 where: short stacking energy: -233.521 Base-Backbone interact. energy: 1.562 local terms energy: -248.167623 where: bonds (distance) C4'-P energy: -32.898 bonds (distance) P-C4' energy: -57.051 flat angles C4'-P-C4' energy: -56.822 flat angles P-C4'-P energy: -44.749 tors. eta vs tors. theta energy: -56.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -876.891323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.891323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.891323 (E_RNA) where: Base-Base interactions energy: -609.582 where: short stacking energy: -260.181 Base-Backbone interact. energy: -0.863 local terms energy: -266.447121 where: bonds (distance) C4'-P energy: -49.166 bonds (distance) P-C4' energy: -54.952 flat angles C4'-P-C4' energy: -57.125 flat angles P-C4'-P energy: -35.923 tors. eta vs tors. theta energy: -69.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -799.210154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.210154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.210154 (E_RNA) where: Base-Base interactions energy: -535.125 where: short stacking energy: -258.066 Base-Backbone interact. energy: -1.213 local terms energy: -262.872227 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -56.279 flat angles C4'-P-C4' energy: -49.066 flat angles P-C4'-P energy: -39.361 tors. eta vs tors. theta energy: -64.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -804.446048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.446048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.446048 (E_RNA) where: Base-Base interactions energy: -574.503 where: short stacking energy: -231.910 Base-Backbone interact. energy: -1.860 local terms energy: -228.083455 where: bonds (distance) C4'-P energy: -46.068 bonds (distance) P-C4' energy: -40.226 flat angles C4'-P-C4' energy: -57.639 flat angles P-C4'-P energy: -28.527 tors. eta vs tors. theta energy: -55.624 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: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -766.928770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.928770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.928770 (E_RNA) where: Base-Base interactions energy: -515.295 where: short stacking energy: -255.669 Base-Backbone interact. energy: -1.043 local terms energy: -250.589869 where: bonds (distance) C4'-P energy: -52.098 bonds (distance) P-C4' energy: -47.207 flat angles C4'-P-C4' energy: -47.809 flat angles P-C4'-P energy: -29.784 tors. eta vs tors. theta energy: -73.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -459.777127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.777127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.777127 (E_RNA) where: Base-Base interactions energy: -277.720 where: short stacking energy: -131.570 Base-Backbone interact. energy: -1.030 local terms energy: -181.027675 where: bonds (distance) C4'-P energy: -43.675 bonds (distance) P-C4' energy: -52.282 flat angles C4'-P-C4' energy: -42.906 flat angles P-C4'-P energy: -21.160 tors. eta vs tors. theta energy: -21.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -272.751104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.751104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.751104 (E_RNA) where: Base-Base interactions energy: -113.893 where: short stacking energy: -81.139 Base-Backbone interact. energy: -0.215 local terms energy: -158.643152 where: bonds (distance) C4'-P energy: -39.834 bonds (distance) P-C4' energy: -52.291 flat angles C4'-P-C4' energy: -39.125 flat angles P-C4'-P energy: -29.599 tors. eta vs tors. theta energy: 2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1029.163297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.163297 (E_RNA) where: Base-Base interactions energy: -718.271 where: short stacking energy: -296.651 Base-Backbone interact. energy: -1.593 local terms energy: -309.300014 where: bonds (distance) C4'-P energy: -59.323 bonds (distance) P-C4' energy: -55.042 flat angles C4'-P-C4' energy: -61.968 flat angles P-C4'-P energy: -42.008 tors. eta vs tors. theta energy: -90.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1020.689993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.689993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.689993 (E_RNA) where: Base-Base interactions energy: -711.731 where: short stacking energy: -290.383 Base-Backbone interact. energy: 0.157 local terms energy: -309.116280 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -67.673 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -83.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -972.969014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.969014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.969014 (E_RNA) where: Base-Base interactions energy: -675.090 where: short stacking energy: -287.634 Base-Backbone interact. energy: -1.411 local terms energy: -296.467856 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -48.055 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -83.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -854.408993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.408993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.408993 (E_RNA) where: Base-Base interactions energy: -590.320 where: short stacking energy: -238.889 Base-Backbone interact. energy: -0.152 local terms energy: -263.936956 where: bonds (distance) C4'-P energy: -51.190 bonds (distance) P-C4' energy: -56.005 flat angles C4'-P-C4' energy: -63.564 flat angles P-C4'-P energy: -29.998 tors. eta vs tors. theta energy: -63.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -881.250068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.250068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.250068 (E_RNA) where: Base-Base interactions energy: -593.850 where: short stacking energy: -270.837 Base-Backbone interact. energy: 0.844 local terms energy: -288.243989 where: bonds (distance) C4'-P energy: -39.680 bonds (distance) P-C4' energy: -64.074 flat angles C4'-P-C4' energy: -63.971 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -81.533 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: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -852.116720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.116720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.116720 (E_RNA) where: Base-Base interactions energy: -584.801 where: short stacking energy: -242.583 Base-Backbone interact. energy: -2.370 local terms energy: -264.946018 where: bonds (distance) C4'-P energy: -53.043 bonds (distance) P-C4' energy: -49.946 flat angles C4'-P-C4' energy: -58.492 flat angles P-C4'-P energy: -33.557 tors. eta vs tors. theta energy: -69.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -831.540962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.540962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.540962 (E_RNA) where: Base-Base interactions energy: -575.029 where: short stacking energy: -251.726 Base-Backbone interact. energy: -0.725 local terms energy: -255.787170 where: bonds (distance) C4'-P energy: -46.570 bonds (distance) P-C4' energy: -46.544 flat angles C4'-P-C4' energy: -54.515 flat angles P-C4'-P energy: -35.199 tors. eta vs tors. theta energy: -72.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -761.184765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.184765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.184765 (E_RNA) where: Base-Base interactions energy: -522.816 where: short stacking energy: -245.483 Base-Backbone interact. energy: 0.640 local terms energy: -239.009272 where: bonds (distance) C4'-P energy: -51.004 bonds (distance) P-C4' energy: -49.181 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -22.934 tors. eta vs tors. theta energy: -64.101 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: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -271.355708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.355708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.355708 (E_RNA) where: Base-Base interactions energy: -82.815 where: short stacking energy: -73.963 Base-Backbone interact. energy: -0.254 local terms energy: -188.286575 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -46.159 flat angles P-C4'-P energy: -29.687 tors. eta vs tors. theta energy: 11.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -410.795972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.795972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.795972 (E_RNA) where: Base-Base interactions energy: -241.740 where: short stacking energy: -125.598 Base-Backbone interact. energy: -1.893 local terms energy: -167.162229 where: bonds (distance) C4'-P energy: -45.857 bonds (distance) P-C4' energy: -40.821 flat angles C4'-P-C4' energy: -45.310 flat angles P-C4'-P energy: -27.470 tors. eta vs tors. theta energy: -7.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1016.196786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.196786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.196786 (E_RNA) where: Base-Base interactions energy: -696.351 where: short stacking energy: -286.807 Base-Backbone interact. energy: 0.254 local terms energy: -320.099572 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -44.309 tors. eta vs tors. theta energy: -86.447 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: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1010.678635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.678635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.678635 (E_RNA) where: Base-Base interactions energy: -691.195 where: short stacking energy: -309.946 Base-Backbone interact. energy: -0.744 local terms energy: -318.739750 where: bonds (distance) C4'-P energy: -62.558 bonds (distance) P-C4' energy: -62.513 flat angles C4'-P-C4' energy: -60.917 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -90.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -966.291430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.291430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.291430 (E_RNA) where: Base-Base interactions energy: -669.157 where: short stacking energy: -288.827 Base-Backbone interact. energy: 0.027 local terms energy: -297.161694 where: bonds (distance) C4'-P energy: -53.021 bonds (distance) P-C4' energy: -60.793 flat angles C4'-P-C4' energy: -64.735 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -74.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -891.698790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.698790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.698790 (E_RNA) where: Base-Base interactions energy: -576.309 where: short stacking energy: -269.644 Base-Backbone interact. energy: -0.416 local terms energy: -314.974069 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -63.733 flat angles C4'-P-C4' energy: -61.175 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -74.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -845.369625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.369625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.369625 (E_RNA) where: Base-Base interactions energy: -562.931 where: short stacking energy: -242.909 Base-Backbone interact. energy: -1.705 local terms energy: -280.732817 where: bonds (distance) C4'-P energy: -63.448 bonds (distance) P-C4' energy: -59.476 flat angles C4'-P-C4' energy: -53.500 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -65.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -837.655291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.655291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.655291 (E_RNA) where: Base-Base interactions energy: -589.189 where: short stacking energy: -246.063 Base-Backbone interact. energy: -0.296 local terms energy: -248.170459 where: bonds (distance) C4'-P energy: -40.965 bonds (distance) P-C4' energy: -52.218 flat angles C4'-P-C4' energy: -54.256 flat angles P-C4'-P energy: -33.260 tors. eta vs tors. theta energy: -67.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -791.840156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.840156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.840156 (E_RNA) where: Base-Base interactions energy: -549.217 where: short stacking energy: -246.230 Base-Backbone interact. energy: 3.761 local terms energy: -246.384157 where: bonds (distance) C4'-P energy: -51.310 bonds (distance) P-C4' energy: -47.168 flat angles C4'-P-C4' energy: -60.647 flat angles P-C4'-P energy: -22.079 tors. eta vs tors. theta energy: -65.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -751.834106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.834106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.834106 (E_RNA) where: Base-Base interactions energy: -503.271 where: short stacking energy: -233.004 Base-Backbone interact. energy: -0.956 local terms energy: -247.607992 where: bonds (distance) C4'-P energy: -63.240 bonds (distance) P-C4' energy: -39.764 flat angles C4'-P-C4' energy: -44.385 flat angles P-C4'-P energy: -37.423 tors. eta vs tors. theta energy: -62.796 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: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -280.943823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.943823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.943823 (E_RNA) where: Base-Base interactions energy: -100.073 where: short stacking energy: -74.119 Base-Backbone interact. energy: -0.709 local terms energy: -180.162290 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -49.768 flat angles C4'-P-C4' energy: -50.660 flat angles P-C4'-P energy: -28.790 tors. eta vs tors. theta energy: -1.894 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: 341 Temperature: 1.350000 Total energy: -438.503034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.503034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.503034 (E_RNA) where: Base-Base interactions energy: -273.400 where: short stacking energy: -140.592 Base-Backbone interact. energy: 0.647 local terms energy: -165.749603 where: bonds (distance) C4'-P energy: -37.373 bonds (distance) P-C4' energy: -41.939 flat angles C4'-P-C4' energy: -45.522 flat angles P-C4'-P energy: -31.905 tors. eta vs tors. theta energy: -9.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1026.239679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.239679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.239679 (E_RNA) where: Base-Base interactions energy: -715.734 where: short stacking energy: -298.439 Base-Backbone interact. energy: -1.706 local terms energy: -308.799522 where: bonds (distance) C4'-P energy: -64.195 bonds (distance) P-C4' energy: -58.539 flat angles C4'-P-C4' energy: -64.710 flat angles P-C4'-P energy: -33.786 tors. eta vs tors. theta energy: -87.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -997.825828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.825828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.825828 (E_RNA) where: Base-Base interactions energy: -706.251 where: short stacking energy: -301.688 Base-Backbone interact. energy: -1.298 local terms energy: -290.277595 where: bonds (distance) C4'-P energy: -48.195 bonds (distance) P-C4' energy: -53.628 flat angles C4'-P-C4' energy: -63.475 flat angles P-C4'-P energy: -41.648 tors. eta vs tors. theta energy: -83.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -972.710352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.710352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.710352 (E_RNA) where: Base-Base interactions energy: -682.502 where: short stacking energy: -294.141 Base-Backbone interact. energy: -2.259 local terms energy: -287.948894 where: bonds (distance) C4'-P energy: -52.750 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -61.577 flat angles P-C4'-P energy: -44.373 tors. eta vs tors. theta energy: -77.669 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: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -913.751798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.751798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.751798 (E_RNA) where: Base-Base interactions energy: -611.325 where: short stacking energy: -281.451 Base-Backbone interact. energy: 0.261 local terms energy: -302.688106 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -55.776 flat angles C4'-P-C4' energy: -58.694 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -87.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -883.108705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.108705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.108705 (E_RNA) where: Base-Base interactions energy: -608.321 where: short stacking energy: -261.449 Base-Backbone interact. energy: -2.785 local terms energy: -272.002895 where: bonds (distance) C4'-P energy: -52.822 bonds (distance) P-C4' energy: -54.789 flat angles C4'-P-C4' energy: -60.743 flat angles P-C4'-P energy: -37.611 tors. eta vs tors. theta energy: -66.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -789.243911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.243911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.243911 (E_RNA) where: Base-Base interactions energy: -526.865 where: short stacking energy: -233.556 Base-Backbone interact. energy: -1.767 local terms energy: -260.612021 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -61.872 flat angles C4'-P-C4' energy: -60.404 flat angles P-C4'-P energy: -23.282 tors. eta vs tors. theta energy: -57.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -804.400783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.400783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.400783 (E_RNA) where: Base-Base interactions energy: -540.390 where: short stacking energy: -253.725 Base-Backbone interact. energy: -0.297 local terms energy: -263.714187 where: bonds (distance) C4'-P energy: -47.312 bonds (distance) P-C4' energy: -51.205 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -34.266 tors. eta vs tors. theta energy: -67.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -771.964960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.964960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.964960 (E_RNA) where: Base-Base interactions energy: -508.548 where: short stacking energy: -226.519 Base-Backbone interact. energy: -2.489 local terms energy: -260.927726 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -54.899 flat angles C4'-P-C4' energy: -59.330 flat angles P-C4'-P energy: -35.483 tors. eta vs tors. theta energy: -57.204 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: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -481.667832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.667832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.667832 (E_RNA) where: Base-Base interactions energy: -281.078 where: short stacking energy: -134.759 Base-Backbone interact. energy: 0.885 local terms energy: -201.474754 where: bonds (distance) C4'-P energy: -50.952 bonds (distance) P-C4' energy: -54.360 flat angles C4'-P-C4' energy: -53.445 flat angles P-C4'-P energy: -30.582 tors. eta vs tors. theta energy: -12.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -278.752572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.752572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.752572 (E_RNA) where: Base-Base interactions energy: -120.749 where: short stacking energy: -86.715 Base-Backbone interact. energy: -1.215 local terms energy: -156.789079 where: bonds (distance) C4'-P energy: -43.216 bonds (distance) P-C4' energy: -38.719 flat angles C4'-P-C4' energy: -47.850 flat angles P-C4'-P energy: -21.876 tors. eta vs tors. theta energy: -5.129 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: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1020.155630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.155630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.155630 (E_RNA) where: Base-Base interactions energy: -704.305 where: short stacking energy: -311.805 Base-Backbone interact. energy: 0.237 local terms energy: -316.087582 where: bonds (distance) C4'-P energy: -55.268 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -68.335 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -83.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -992.685160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.685160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.685160 (E_RNA) where: Base-Base interactions energy: -675.364 where: short stacking energy: -289.581 Base-Backbone interact. energy: -0.551 local terms energy: -316.770625 where: bonds (distance) C4'-P energy: -60.715 bonds (distance) P-C4' energy: -58.429 flat angles C4'-P-C4' energy: -66.181 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -83.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -954.207155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.207155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.207155 (E_RNA) where: Base-Base interactions energy: -660.218 where: short stacking energy: -268.753 Base-Backbone interact. energy: -0.840 local terms energy: -293.149127 where: bonds (distance) C4'-P energy: -59.634 bonds (distance) P-C4' energy: -52.315 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: -74.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -909.570829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.570829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.570829 (E_RNA) where: Base-Base interactions energy: -612.575 where: short stacking energy: -288.943 Base-Backbone interact. energy: -0.586 local terms energy: -296.409727 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -64.757 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -77.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -858.998727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.998727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.998727 (E_RNA) where: Base-Base interactions energy: -585.450 where: short stacking energy: -247.608 Base-Backbone interact. energy: -1.190 local terms energy: -272.358221 where: bonds (distance) C4'-P energy: -53.270 bonds (distance) P-C4' energy: -49.790 flat angles C4'-P-C4' energy: -59.656 flat angles P-C4'-P energy: -40.891 tors. eta vs tors. theta energy: -68.751 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: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -823.041493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.041493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.041493 (E_RNA) where: Base-Base interactions energy: -548.348 where: short stacking energy: -255.769 Base-Backbone interact. energy: -1.929 local terms energy: -272.765339 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -51.951 flat angles C4'-P-C4' energy: -58.647 flat angles P-C4'-P energy: -40.871 tors. eta vs tors. theta energy: -72.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -765.136257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.136257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.136257 (E_RNA) where: Base-Base interactions energy: -512.864 where: short stacking energy: -243.059 Base-Backbone interact. energy: 0.905 local terms energy: -253.177943 where: bonds (distance) C4'-P energy: -46.782 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -53.694 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -63.307 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: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -769.386402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.386402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.386402 (E_RNA) where: Base-Base interactions energy: -505.993 where: short stacking energy: -227.970 Base-Backbone interact. energy: -0.210 local terms energy: -263.183062 where: bonds (distance) C4'-P energy: -50.922 bonds (distance) P-C4' energy: -58.163 flat angles C4'-P-C4' energy: -53.437 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -59.664 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: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -503.396930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.396930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.396930 (E_RNA) where: Base-Base interactions energy: -321.041 where: short stacking energy: -137.102 Base-Backbone interact. energy: -2.701 local terms energy: -179.655625 where: bonds (distance) C4'-P energy: -46.669 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -39.990 flat angles P-C4'-P energy: -18.525 tors. eta vs tors. theta energy: -15.327 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: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -293.473689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.473689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.473689 (E_RNA) where: Base-Base interactions energy: -143.586 where: short stacking energy: -81.589 Base-Backbone interact. energy: 1.396 local terms energy: -151.282922 where: bonds (distance) C4'-P energy: -46.919 bonds (distance) P-C4' energy: -41.123 flat angles C4'-P-C4' energy: -43.946 flat angles P-C4'-P energy: -22.404 tors. eta vs tors. theta energy: 3.109 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: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1030.513648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.513648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.513648 (E_RNA) where: Base-Base interactions energy: -710.410 where: short stacking energy: -306.057 Base-Backbone interact. energy: -0.377 local terms energy: -319.726992 where: bonds (distance) C4'-P energy: -62.872 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -64.506 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -90.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -989.528664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.528664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.528664 (E_RNA) where: Base-Base interactions energy: -696.651 where: short stacking energy: -305.093 Base-Backbone interact. energy: -0.850 local terms energy: -292.027681 where: bonds (distance) C4'-P energy: -52.102 bonds (distance) P-C4' energy: -56.345 flat angles C4'-P-C4' energy: -59.342 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -77.759 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: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -968.552315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.552315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.552315 (E_RNA) where: Base-Base interactions energy: -669.399 where: short stacking energy: -296.515 Base-Backbone interact. energy: 0.232 local terms energy: -299.385724 where: bonds (distance) C4'-P energy: -53.979 bonds (distance) P-C4' energy: -61.401 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -37.366 tors. eta vs tors. theta energy: -82.017 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -888.529072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.529072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.529072 (E_RNA) where: Base-Base interactions energy: -582.052 where: short stacking energy: -262.022 Base-Backbone interact. energy: -1.800 local terms energy: -304.677679 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -58.728 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -40.389 tors. eta vs tors. theta energy: -81.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -866.087443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.087443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.087443 (E_RNA) where: Base-Base interactions energy: -587.551 where: short stacking energy: -264.368 Base-Backbone interact. energy: 0.124 local terms energy: -278.660050 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -50.434 flat angles C4'-P-C4' energy: -55.302 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -73.503 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: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -818.395528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.395528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.395528 (E_RNA) where: Base-Base interactions energy: -553.365 where: short stacking energy: -247.132 Base-Backbone interact. energy: 1.307 local terms energy: -266.337503 where: bonds (distance) C4'-P energy: -39.024 bonds (distance) P-C4' energy: -58.368 flat angles C4'-P-C4' energy: -61.472 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -73.808 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: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -784.718188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.718188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.718188 (E_RNA) where: Base-Base interactions energy: -550.674 where: short stacking energy: -243.748 Base-Backbone interact. energy: 0.274 local terms energy: -234.318176 where: bonds (distance) C4'-P energy: -42.715 bonds (distance) P-C4' energy: -34.805 flat angles C4'-P-C4' energy: -53.744 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -62.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -775.076145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.076145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.076145 (E_RNA) where: Base-Base interactions energy: -513.321 where: short stacking energy: -240.192 Base-Backbone interact. energy: -0.500 local terms energy: -261.254864 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -54.006 flat angles C4'-P-C4' energy: -52.993 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: -65.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -437.487740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.487740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.487740 (E_RNA) where: Base-Base interactions energy: -276.306 where: short stacking energy: -109.834 Base-Backbone interact. energy: 1.696 local terms energy: -162.877906 where: bonds (distance) C4'-P energy: -49.188 bonds (distance) P-C4' energy: -45.703 flat angles C4'-P-C4' energy: -34.739 flat angles P-C4'-P energy: -23.042 tors. eta vs tors. theta energy: -10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -271.746208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.746208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.746208 (E_RNA) where: Base-Base interactions energy: -118.475 where: short stacking energy: -87.027 Base-Backbone interact. energy: -0.058 local terms energy: -153.213924 where: bonds (distance) C4'-P energy: -46.989 bonds (distance) P-C4' energy: -60.295 flat angles C4'-P-C4' energy: -40.377 flat angles P-C4'-P energy: -23.841 tors. eta vs tors. theta energy: 18.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1043.751603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.751603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.751603 (E_RNA) where: Base-Base interactions energy: -721.186 where: short stacking energy: -307.508 Base-Backbone interact. energy: -0.259 local terms energy: -322.306457 where: bonds (distance) C4'-P energy: -61.879 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -66.050 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -95.642 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: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -987.996690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.996690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.996690 (E_RNA) where: Base-Base interactions energy: -684.417 where: short stacking energy: -302.516 Base-Backbone interact. energy: -3.581 local terms energy: -299.998478 where: bonds (distance) C4'-P energy: -49.799 bonds (distance) P-C4' energy: -54.572 flat angles C4'-P-C4' energy: -67.696 flat angles P-C4'-P energy: -45.995 tors. eta vs tors. theta energy: -81.935 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: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -965.895718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.895718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.895718 (E_RNA) where: Base-Base interactions energy: -672.914 where: short stacking energy: -280.606 Base-Backbone interact. energy: -2.470 local terms energy: -290.511045 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -56.888 flat angles C4'-P-C4' energy: -59.612 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: -75.979 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: 345 Temperature: 1.050000 Total energy: -888.466764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.466764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.466764 (E_RNA) where: Base-Base interactions energy: -598.091 where: short stacking energy: -274.127 Base-Backbone interact. energy: -1.400 local terms energy: -288.976563 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -56.238 flat angles C4'-P-C4' energy: -58.858 flat angles P-C4'-P energy: -36.020 tors. eta vs tors. theta energy: -81.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -836.351761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.351761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.351761 (E_RNA) where: Base-Base interactions energy: -560.521 where: short stacking energy: -238.984 Base-Backbone interact. energy: 8.289 local terms energy: -284.119126 where: bonds (distance) C4'-P energy: -56.254 bonds (distance) P-C4' energy: -54.517 flat angles C4'-P-C4' energy: -63.274 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -69.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -830.466985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.466985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.466985 (E_RNA) where: Base-Base interactions energy: -568.488 where: short stacking energy: -264.672 Base-Backbone interact. energy: -0.660 local terms energy: -261.318649 where: bonds (distance) C4'-P energy: -40.224 bonds (distance) P-C4' energy: -42.936 flat angles C4'-P-C4' energy: -60.727 flat angles P-C4'-P energy: -43.359 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: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -768.206418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.206418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.206418 (E_RNA) where: Base-Base interactions energy: -532.410 where: short stacking energy: -228.797 Base-Backbone interact. energy: -2.145 local terms energy: -233.651356 where: bonds (distance) C4'-P energy: -46.245 bonds (distance) P-C4' energy: -40.282 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -30.330 tors. eta vs tors. theta energy: -59.949 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: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -785.991810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.991810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.991810 (E_RNA) where: Base-Base interactions energy: -531.481 where: short stacking energy: -233.652 Base-Backbone interact. energy: 0.775 local terms energy: -255.285993 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -55.578 flat angles C4'-P-C4' energy: -57.684 flat angles P-C4'-P energy: -29.394 tors. eta vs tors. theta energy: -62.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -418.534530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.534530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.534530 (E_RNA) where: Base-Base interactions energy: -225.675 where: short stacking energy: -125.206 Base-Backbone interact. energy: 0.334 local terms energy: -193.193194 where: bonds (distance) C4'-P energy: -46.720 bonds (distance) P-C4' energy: -54.313 flat angles C4'-P-C4' energy: -47.723 flat angles P-C4'-P energy: -21.107 tors. eta vs tors. theta energy: -23.330 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: 345 Temperature: 1.350000 Total energy: -287.662077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.662077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.662077 (E_RNA) where: Base-Base interactions energy: -126.802 where: short stacking energy: -100.388 Base-Backbone interact. energy: 1.513 local terms energy: -162.373230 where: bonds (distance) C4'-P energy: -44.087 bonds (distance) P-C4' energy: -39.727 flat angles C4'-P-C4' energy: -48.816 flat angles P-C4'-P energy: -35.858 tors. eta vs tors. theta energy: 6.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1056.282859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.282859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.282859 (E_RNA) where: Base-Base interactions energy: -737.441 where: short stacking energy: -322.415 Base-Backbone interact. energy: -0.934 local terms energy: -317.908144 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -61.859 flat angles C4'-P-C4' energy: -72.575 flat angles P-C4'-P energy: -35.051 tors. eta vs tors. theta energy: -90.894 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: 346 Temperature: 0.950000 Total energy: -980.054107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.054107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.054107 (E_RNA) where: Base-Base interactions energy: -676.923 where: short stacking energy: -297.829 Base-Backbone interact. energy: -1.814 local terms energy: -301.317016 where: bonds (distance) C4'-P energy: -49.578 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -62.667 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -83.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -981.745195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.745195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.745195 (E_RNA) where: Base-Base interactions energy: -685.632 where: short stacking energy: -303.780 Base-Backbone interact. energy: -0.979 local terms energy: -295.133990 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -55.446 flat angles P-C4'-P energy: -36.739 tors. eta vs tors. theta energy: -86.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -904.800022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.800022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.800022 (E_RNA) where: Base-Base interactions energy: -597.730 where: short stacking energy: -282.914 Base-Backbone interact. energy: -0.797 local terms energy: -306.273079 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -56.615 flat angles C4'-P-C4' energy: -63.831 flat angles P-C4'-P energy: -43.712 tors. eta vs tors. theta energy: -82.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -852.153564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.153564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.153564 (E_RNA) where: Base-Base interactions energy: -569.773 where: short stacking energy: -267.274 Base-Backbone interact. energy: -1.804 local terms energy: -280.575804 where: bonds (distance) C4'-P energy: -49.838 bonds (distance) P-C4' energy: -59.209 flat angles C4'-P-C4' energy: -55.523 flat angles P-C4'-P energy: -44.213 tors. eta vs tors. theta energy: -71.794 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: 346 Temperature: 1.150000 Total energy: -831.529278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.529278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.529278 (E_RNA) where: Base-Base interactions energy: -557.287 where: short stacking energy: -247.798 Base-Backbone interact. energy: -0.091 local terms energy: -274.151489 where: bonds (distance) C4'-P energy: -51.958 bonds (distance) P-C4' energy: -56.864 flat angles C4'-P-C4' energy: -55.008 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -69.490 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: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -780.471431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.471431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.471431 (E_RNA) where: Base-Base interactions energy: -528.745 where: short stacking energy: -224.405 Base-Backbone interact. energy: -1.024 local terms energy: -250.702628 where: bonds (distance) C4'-P energy: -59.107 bonds (distance) P-C4' energy: -47.461 flat angles C4'-P-C4' energy: -57.387 flat angles P-C4'-P energy: -26.685 tors. eta vs tors. theta energy: -60.062 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: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -748.526534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.526534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.526534 (E_RNA) where: Base-Base interactions energy: -491.328 where: short stacking energy: -225.243 Base-Backbone interact. energy: -1.746 local terms energy: -255.451947 where: bonds (distance) C4'-P energy: -51.083 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -57.045 flat angles P-C4'-P energy: -36.985 tors. eta vs tors. theta energy: -55.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -420.781157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.781157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.781157 (E_RNA) where: Base-Base interactions energy: -224.105 where: short stacking energy: -117.459 Base-Backbone interact. energy: -0.836 local terms energy: -195.839871 where: bonds (distance) C4'-P energy: -47.713 bonds (distance) P-C4' energy: -53.248 flat angles C4'-P-C4' energy: -40.837 flat angles P-C4'-P energy: -36.823 tors. eta vs tors. theta energy: -17.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -255.574479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.574479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.574479 (E_RNA) where: Base-Base interactions energy: -110.373 where: short stacking energy: -85.086 Base-Backbone interact. energy: -0.246 local terms energy: -144.955837 where: bonds (distance) C4'-P energy: -43.453 bonds (distance) P-C4' energy: -55.176 flat angles C4'-P-C4' energy: -31.976 flat angles P-C4'-P energy: -27.064 tors. eta vs tors. theta energy: 12.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1037.198436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.198436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.198436 (E_RNA) where: Base-Base interactions energy: -712.945 where: short stacking energy: -309.600 Base-Backbone interact. energy: -0.670 local terms energy: -323.583450 where: bonds (distance) C4'-P energy: -61.525 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -63.413 flat angles P-C4'-P energy: -43.712 tors. eta vs tors. theta energy: -93.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1001.746649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.746649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.746649 (E_RNA) where: Base-Base interactions energy: -702.300 where: short stacking energy: -298.322 Base-Backbone interact. energy: 0.609 local terms energy: -300.055600 where: bonds (distance) C4'-P energy: -61.812 bonds (distance) P-C4' energy: -59.953 flat angles C4'-P-C4' energy: -62.283 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -78.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -940.149901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.149901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.149901 (E_RNA) where: Base-Base interactions energy: -646.562 where: short stacking energy: -290.147 Base-Backbone interact. energy: -2.907 local terms energy: -290.680851 where: bonds (distance) C4'-P energy: -52.783 bonds (distance) P-C4' energy: -53.858 flat angles C4'-P-C4' energy: -62.264 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: -78.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -902.434304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.434304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.434304 (E_RNA) where: Base-Base interactions energy: -612.799 where: short stacking energy: -273.172 Base-Backbone interact. energy: -0.224 local terms energy: -289.411605 where: bonds (distance) C4'-P energy: -58.562 bonds (distance) P-C4' energy: -61.830 flat angles C4'-P-C4' energy: -54.092 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -77.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -849.088198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.088198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.088198 (E_RNA) where: Base-Base interactions energy: -551.796 where: short stacking energy: -256.952 Base-Backbone interact. energy: -1.295 local terms energy: -295.997113 where: bonds (distance) C4'-P energy: -56.105 bonds (distance) P-C4' energy: -64.510 flat angles C4'-P-C4' energy: -61.996 flat angles P-C4'-P energy: -50.355 tors. eta vs tors. theta energy: -63.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -846.052005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.052005 (E_RNA) where: Base-Base interactions energy: -573.093 where: short stacking energy: -246.453 Base-Backbone interact. energy: 0.285 local terms energy: -273.243551 where: bonds (distance) C4'-P energy: -52.531 bonds (distance) P-C4' energy: -52.811 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -70.755 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: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -792.857133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.857133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.857133 (E_RNA) where: Base-Base interactions energy: -536.539 where: short stacking energy: -231.638 Base-Backbone interact. energy: 0.202 local terms energy: -256.519644 where: bonds (distance) C4'-P energy: -48.519 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -55.986 flat angles P-C4'-P energy: -37.378 tors. eta vs tors. theta energy: -58.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -745.750954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.750954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.750954 (E_RNA) where: Base-Base interactions energy: -497.875 where: short stacking energy: -222.735 Base-Backbone interact. energy: -1.850 local terms energy: -246.025774 where: bonds (distance) C4'-P energy: -43.978 bonds (distance) P-C4' energy: -48.898 flat angles C4'-P-C4' energy: -56.086 flat angles P-C4'-P energy: -31.372 tors. eta vs tors. theta energy: -65.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -417.404105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.404105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.404105 (E_RNA) where: Base-Base interactions energy: -246.531 where: short stacking energy: -123.837 Base-Backbone interact. energy: 2.269 local terms energy: -173.141366 where: bonds (distance) C4'-P energy: -47.556 bonds (distance) P-C4' energy: -37.262 flat angles C4'-P-C4' energy: -49.419 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: -5.523 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: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -247.718574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.718574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.718574 (E_RNA) where: Base-Base interactions energy: -88.209 where: short stacking energy: -84.847 Base-Backbone interact. energy: 0.876 local terms energy: -160.385987 where: bonds (distance) C4'-P energy: -44.066 bonds (distance) P-C4' energy: -53.383 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -19.962 tors. eta vs tors. theta energy: 11.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1051.577866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.577866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.577866 (E_RNA) where: Base-Base interactions energy: -716.463 where: short stacking energy: -314.613 Base-Backbone interact. energy: -0.665 local terms energy: -334.449924 where: bonds (distance) C4'-P energy: -68.192 bonds (distance) P-C4' energy: -61.259 flat angles C4'-P-C4' energy: -68.949 flat angles P-C4'-P energy: -42.782 tors. eta vs tors. theta energy: -93.268 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: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -969.516356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.516356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.516356 (E_RNA) where: Base-Base interactions energy: -679.908 where: short stacking energy: -285.203 Base-Backbone interact. energy: -1.995 local terms energy: -287.612937 where: bonds (distance) C4'-P energy: -48.207 bonds (distance) P-C4' energy: -59.995 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -75.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -951.591072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.591072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.591072 (E_RNA) where: Base-Base interactions energy: -644.953 where: short stacking energy: -282.772 Base-Backbone interact. energy: -1.467 local terms energy: -305.170588 where: bonds (distance) C4'-P energy: -58.143 bonds (distance) P-C4' energy: -50.451 flat angles C4'-P-C4' energy: -68.781 flat angles P-C4'-P energy: -46.600 tors. eta vs tors. theta energy: -81.197 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: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -888.692602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.692602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.692602 (E_RNA) where: Base-Base interactions energy: -604.335 where: short stacking energy: -265.694 Base-Backbone interact. energy: 0.887 local terms energy: -285.244662 where: bonds (distance) C4'-P energy: -59.856 bonds (distance) P-C4' energy: -48.861 flat angles C4'-P-C4' energy: -58.860 flat angles P-C4'-P energy: -40.684 tors. eta vs tors. theta energy: -76.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -879.753120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.753120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.753120 (E_RNA) where: Base-Base interactions energy: -592.735 where: short stacking energy: -268.868 Base-Backbone interact. energy: 0.089 local terms energy: -287.106785 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -63.074 flat angles C4'-P-C4' energy: -56.273 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -74.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -831.557877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.557877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.557877 (E_RNA) where: Base-Base interactions energy: -571.835 where: short stacking energy: -260.275 Base-Backbone interact. energy: 1.133 local terms energy: -260.855731 where: bonds (distance) C4'-P energy: -41.059 bonds (distance) P-C4' energy: -53.089 flat angles C4'-P-C4' energy: -59.397 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -64.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -816.588637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.588637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.588637 (E_RNA) where: Base-Base interactions energy: -562.102 where: short stacking energy: -250.547 Base-Backbone interact. energy: -0.325 local terms energy: -254.161426 where: bonds (distance) C4'-P energy: -45.710 bonds (distance) P-C4' energy: -46.348 flat angles C4'-P-C4' energy: -57.176 flat angles P-C4'-P energy: -29.594 tors. eta vs tors. theta energy: -75.333 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: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -644.030171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.030171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.030171 (E_RNA) where: Base-Base interactions energy: -419.690 where: short stacking energy: -189.629 Base-Backbone interact. energy: 0.879 local terms energy: -225.219347 where: bonds (distance) C4'-P energy: -35.411 bonds (distance) P-C4' energy: -48.167 flat angles C4'-P-C4' energy: -49.686 flat angles P-C4'-P energy: -33.090 tors. eta vs tors. theta energy: -58.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -392.266038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.266038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.266038 (E_RNA) where: Base-Base interactions energy: -207.537 where: short stacking energy: -122.567 Base-Backbone interact. energy: -0.864 local terms energy: -183.864340 where: bonds (distance) C4'-P energy: -49.002 bonds (distance) P-C4' energy: -48.460 flat angles C4'-P-C4' energy: -50.669 flat angles P-C4'-P energy: -28.005 tors. eta vs tors. theta energy: -7.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -260.160635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.160635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.160635 (E_RNA) where: Base-Base interactions energy: -101.226 where: short stacking energy: -70.743 Base-Backbone interact. energy: 0.519 local terms energy: -159.453964 where: bonds (distance) C4'-P energy: -45.544 bonds (distance) P-C4' energy: -55.539 flat angles C4'-P-C4' energy: -48.534 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1049.522900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.522900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.522900 (E_RNA) where: Base-Base interactions energy: -711.448 where: short stacking energy: -307.414 Base-Backbone interact. energy: -1.372 local terms energy: -336.702757 where: bonds (distance) C4'-P energy: -59.355 bonds (distance) P-C4' energy: -70.344 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -97.921 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: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -996.858628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.858628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.858628 (E_RNA) where: Base-Base interactions energy: -682.657 where: short stacking energy: -300.577 Base-Backbone interact. energy: -0.196 local terms energy: -314.005722 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -60.437 flat angles C4'-P-C4' energy: -69.602 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: -80.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -961.411532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.411532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.411532 (E_RNA) where: Base-Base interactions energy: -654.073 where: short stacking energy: -281.072 Base-Backbone interact. energy: -0.914 local terms energy: -306.425314 where: bonds (distance) C4'-P energy: -55.497 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -68.572 flat angles P-C4'-P energy: -37.142 tors. eta vs tors. theta energy: -79.973 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: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -887.330150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.330150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.330150 (E_RNA) where: Base-Base interactions energy: -607.081 where: short stacking energy: -233.363 Base-Backbone interact. energy: 1.635 local terms energy: -281.884840 where: bonds (distance) C4'-P energy: -52.691 bonds (distance) P-C4' energy: -59.643 flat angles C4'-P-C4' energy: -63.407 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -68.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -864.671921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.671921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.671921 (E_RNA) where: Base-Base interactions energy: -597.175 where: short stacking energy: -272.427 Base-Backbone interact. energy: -1.638 local terms energy: -265.858723 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -47.973 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -30.388 tors. eta vs tors. theta energy: -70.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -825.408117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.408117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.408117 (E_RNA) where: Base-Base interactions energy: -564.253 where: short stacking energy: -252.500 Base-Backbone interact. energy: -0.964 local terms energy: -260.191288 where: bonds (distance) C4'-P energy: -41.444 bonds (distance) P-C4' energy: -44.652 flat angles C4'-P-C4' energy: -63.507 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -73.270 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: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -839.643269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.643269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.643269 (E_RNA) where: Base-Base interactions energy: -590.684 where: short stacking energy: -235.084 Base-Backbone interact. energy: -2.220 local terms energy: -246.739835 where: bonds (distance) C4'-P energy: -46.522 bonds (distance) P-C4' energy: -47.893 flat angles C4'-P-C4' energy: -57.133 flat angles P-C4'-P energy: -39.991 tors. eta vs tors. theta energy: -55.202 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: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -644.409887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.409887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.409887 (E_RNA) where: Base-Base interactions energy: -431.423 where: short stacking energy: -187.327 Base-Backbone interact. energy: 6.017 local terms energy: -219.003850 where: bonds (distance) C4'-P energy: -47.437 bonds (distance) P-C4' energy: -45.210 flat angles C4'-P-C4' energy: -50.696 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: -37.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -416.817115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.817115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.817115 (E_RNA) where: Base-Base interactions energy: -219.380 where: short stacking energy: -111.370 Base-Backbone interact. energy: -0.657 local terms energy: -196.780365 where: bonds (distance) C4'-P energy: -54.892 bonds (distance) P-C4' energy: -53.286 flat angles C4'-P-C4' energy: -44.398 flat angles P-C4'-P energy: -26.351 tors. eta vs tors. theta energy: -17.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -266.636970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.636970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.636970 (E_RNA) where: Base-Base interactions energy: -95.268 where: short stacking energy: -83.620 Base-Backbone interact. energy: -0.660 local terms energy: -170.709241 where: bonds (distance) C4'-P energy: -54.774 bonds (distance) P-C4' energy: -52.194 flat angles C4'-P-C4' energy: -28.475 flat angles P-C4'-P energy: -34.248 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1048.536429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.536429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.536429 (E_RNA) where: Base-Base interactions energy: -718.670 where: short stacking energy: -320.684 Base-Backbone interact. energy: -0.845 local terms energy: -329.021686 where: bonds (distance) C4'-P energy: -66.491 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -65.546 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -96.615 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: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -988.770929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.770929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.770929 (E_RNA) where: Base-Base interactions energy: -682.321 where: short stacking energy: -309.329 Base-Backbone interact. energy: 1.844 local terms energy: -308.294309 where: bonds (distance) C4'-P energy: -50.416 bonds (distance) P-C4' energy: -63.575 flat angles C4'-P-C4' energy: -66.935 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -86.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -957.970418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.970418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.970418 (E_RNA) where: Base-Base interactions energy: -665.157 where: short stacking energy: -291.575 Base-Backbone interact. energy: -1.402 local terms energy: -291.411528 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -49.833 flat angles C4'-P-C4' energy: -62.082 flat angles P-C4'-P energy: -47.583 tors. eta vs tors. theta energy: -75.209 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -907.856995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.856995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.856995 (E_RNA) where: Base-Base interactions energy: -632.286 where: short stacking energy: -260.822 Base-Backbone interact. energy: 0.155 local terms energy: -275.725931 where: bonds (distance) C4'-P energy: -48.471 bonds (distance) P-C4' energy: -46.681 flat angles C4'-P-C4' energy: -61.812 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -72.590 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: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -839.157832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.157832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.157832 (E_RNA) where: Base-Base interactions energy: -572.558 where: short stacking energy: -252.050 Base-Backbone interact. energy: -1.224 local terms energy: -265.375232 where: bonds (distance) C4'-P energy: -50.010 bonds (distance) P-C4' energy: -56.055 flat angles C4'-P-C4' energy: -47.673 flat angles P-C4'-P energy: -39.897 tors. eta vs tors. theta energy: -71.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -849.343021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.343021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.343021 (E_RNA) where: Base-Base interactions energy: -569.176 where: short stacking energy: -263.850 Base-Backbone interact. energy: 1.177 local terms energy: -281.344013 where: bonds (distance) C4'-P energy: -51.812 bonds (distance) P-C4' energy: -48.860 flat angles C4'-P-C4' energy: -54.608 flat angles P-C4'-P energy: -52.215 tors. eta vs tors. theta energy: -73.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -843.247186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.247186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.247186 (E_RNA) where: Base-Base interactions energy: -608.119 where: short stacking energy: -251.710 Base-Backbone interact. energy: -0.261 local terms energy: -234.867445 where: bonds (distance) C4'-P energy: -44.542 bonds (distance) P-C4' energy: -35.746 flat angles C4'-P-C4' energy: -51.465 flat angles P-C4'-P energy: -33.440 tors. eta vs tors. theta energy: -69.675 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: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -620.056244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.056244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.056244 (E_RNA) where: Base-Base interactions energy: -419.523 where: short stacking energy: -170.017 Base-Backbone interact. energy: 1.395 local terms energy: -201.927544 where: bonds (distance) C4'-P energy: -38.493 bonds (distance) P-C4' energy: -52.975 flat angles C4'-P-C4' energy: -51.369 flat angles P-C4'-P energy: -27.373 tors. eta vs tors. theta energy: -31.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -399.548080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.548080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.548080 (E_RNA) where: Base-Base interactions energy: -232.708 where: short stacking energy: -128.736 Base-Backbone interact. energy: -2.185 local terms energy: -164.655323 where: bonds (distance) C4'-P energy: -47.680 bonds (distance) P-C4' energy: -43.880 flat angles C4'-P-C4' energy: -37.931 flat angles P-C4'-P energy: -23.797 tors. eta vs tors. theta energy: -11.368 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: 350 Temperature: 1.350000 Total energy: -259.629436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.629436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.629436 (E_RNA) where: Base-Base interactions energy: -96.105 where: short stacking energy: -73.533 Base-Backbone interact. energy: 4.941 local terms energy: -168.465105 where: bonds (distance) C4'-P energy: -43.948 bonds (distance) P-C4' energy: -55.383 flat angles C4'-P-C4' energy: -48.153 flat angles P-C4'-P energy: -21.994 tors. eta vs tors. theta energy: 1.013 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: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1046.251115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.251115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.251115 (E_RNA) where: Base-Base interactions energy: -719.959 where: short stacking energy: -308.036 Base-Backbone interact. energy: -0.511 local terms energy: -325.781283 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -68.666 flat angles P-C4'-P energy: -45.771 tors. eta vs tors. theta energy: -93.534 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: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1001.309083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.309083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.309083 (E_RNA) where: Base-Base interactions energy: -686.543 where: short stacking energy: -301.684 Base-Backbone interact. energy: 1.089 local terms energy: -315.855361 where: bonds (distance) C4'-P energy: -48.197 bonds (distance) P-C4' energy: -64.684 flat angles C4'-P-C4' energy: -70.729 flat angles P-C4'-P energy: -46.276 tors. eta vs tors. theta energy: -85.970 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: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -972.525831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.525831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.525831 (E_RNA) where: Base-Base interactions energy: -670.361 where: short stacking energy: -287.060 Base-Backbone interact. energy: 0.813 local terms energy: -302.977970 where: bonds (distance) C4'-P energy: -59.530 bonds (distance) P-C4' energy: -52.984 flat angles C4'-P-C4' energy: -60.326 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -82.320 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: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -916.304516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.304516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.304516 (E_RNA) where: Base-Base interactions energy: -634.822 where: short stacking energy: -278.853 Base-Backbone interact. energy: 0.771 local terms energy: -282.253203 where: bonds (distance) C4'-P energy: -51.797 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -56.187 flat angles P-C4'-P energy: -32.296 tors. eta vs tors. theta energy: -79.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -885.538592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.538592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.538592 (E_RNA) where: Base-Base interactions energy: -590.202 where: short stacking energy: -258.418 Base-Backbone interact. energy: -1.991 local terms energy: -293.345792 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -52.652 flat angles C4'-P-C4' energy: -63.152 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: -79.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -883.266036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.266036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.266036 (E_RNA) where: Base-Base interactions energy: -614.294 where: short stacking energy: -264.584 Base-Backbone interact. energy: 2.391 local terms energy: -271.363648 where: bonds (distance) C4'-P energy: -51.862 bonds (distance) P-C4' energy: -53.109 flat angles C4'-P-C4' energy: -46.823 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -74.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -805.416398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.416398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.416398 (E_RNA) where: Base-Base interactions energy: -531.944 where: short stacking energy: -237.771 Base-Backbone interact. energy: -1.029 local terms energy: -272.443344 where: bonds (distance) C4'-P energy: -50.347 bonds (distance) P-C4' energy: -49.428 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -45.632 tors. eta vs tors. theta energy: -63.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -639.554652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.554652 (E_RNA) where: Base-Base interactions energy: -411.717 where: short stacking energy: -175.614 Base-Backbone interact. energy: 0.070 local terms energy: -227.907977 where: bonds (distance) C4'-P energy: -52.955 bonds (distance) P-C4' energy: -53.327 flat angles C4'-P-C4' energy: -47.036 flat angles P-C4'-P energy: -33.342 tors. eta vs tors. theta energy: -41.249 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: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -398.311392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.311392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.311392 (E_RNA) where: Base-Base interactions energy: -206.994 where: short stacking energy: -136.308 Base-Backbone interact. energy: -0.995 local terms energy: -190.321995 where: bonds (distance) C4'-P energy: -42.017 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -35.341 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: -18.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -266.929008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.929008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.929008 (E_RNA) where: Base-Base interactions energy: -100.178 where: short stacking energy: -87.716 Base-Backbone interact. energy: -0.937 local terms energy: -165.813254 where: bonds (distance) C4'-P energy: -47.005 bonds (distance) P-C4' energy: -48.743 flat angles C4'-P-C4' energy: -56.960 flat angles P-C4'-P energy: -19.457 tors. eta vs tors. theta energy: 6.351 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: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1032.669612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.669612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.669612 (E_RNA) where: Base-Base interactions energy: -709.999 where: short stacking energy: -318.954 Base-Backbone interact. energy: -0.517 local terms energy: -322.154226 where: bonds (distance) C4'-P energy: -61.459 bonds (distance) P-C4' energy: -55.615 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -93.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -978.044962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.044962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.044962 (E_RNA) where: Base-Base interactions energy: -692.594 where: short stacking energy: -302.913 Base-Backbone interact. energy: 0.098 local terms energy: -285.548959 where: bonds (distance) C4'-P energy: -51.405 bonds (distance) P-C4' energy: -53.828 flat angles C4'-P-C4' energy: -60.282 flat angles P-C4'-P energy: -38.993 tors. eta vs tors. theta energy: -81.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -975.823440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.823440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.823440 (E_RNA) where: Base-Base interactions energy: -679.918 where: short stacking energy: -286.906 Base-Backbone interact. energy: -1.349 local terms energy: -294.556685 where: bonds (distance) C4'-P energy: -55.034 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -65.445 flat angles P-C4'-P energy: -32.641 tors. eta vs tors. theta energy: -81.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -887.457851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.457851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.457851 (E_RNA) where: Base-Base interactions energy: -607.377 where: short stacking energy: -263.731 Base-Backbone interact. energy: -1.422 local terms energy: -278.659458 where: bonds (distance) C4'-P energy: -52.248 bonds (distance) P-C4' energy: -52.248 flat angles C4'-P-C4' energy: -60.380 flat angles P-C4'-P energy: -44.255 tors. eta vs tors. theta energy: -69.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -884.660177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.660177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.660177 (E_RNA) where: Base-Base interactions energy: -595.500 where: short stacking energy: -269.000 Base-Backbone interact. energy: -1.340 local terms energy: -287.819927 where: bonds (distance) C4'-P energy: -48.778 bonds (distance) P-C4' energy: -50.822 flat angles C4'-P-C4' energy: -62.423 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -84.719 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: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -884.731843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.731843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.731843 (E_RNA) where: Base-Base interactions energy: -601.731 where: short stacking energy: -260.518 Base-Backbone interact. energy: 0.011 local terms energy: -283.011931 where: bonds (distance) C4'-P energy: -52.564 bonds (distance) P-C4' energy: -51.476 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -71.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -809.935107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.935107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.935107 (E_RNA) where: Base-Base interactions energy: -546.895 where: short stacking energy: -240.300 Base-Backbone interact. energy: -0.659 local terms energy: -262.381047 where: bonds (distance) C4'-P energy: -53.569 bonds (distance) P-C4' energy: -51.412 flat angles C4'-P-C4' energy: -60.455 flat angles P-C4'-P energy: -34.934 tors. eta vs tors. theta energy: -62.011 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: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -646.017429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.017429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.017429 (E_RNA) where: Base-Base interactions energy: -435.383 where: short stacking energy: -158.462 Base-Backbone interact. energy: 2.755 local terms energy: -213.389353 where: bonds (distance) C4'-P energy: -49.135 bonds (distance) P-C4' energy: -59.364 flat angles C4'-P-C4' energy: -54.692 flat angles P-C4'-P energy: -21.563 tors. eta vs tors. theta energy: -28.636 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: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -429.925753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.925753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.925753 (E_RNA) where: Base-Base interactions energy: -226.218 where: short stacking energy: -127.752 Base-Backbone interact. energy: 0.467 local terms energy: -204.174680 where: bonds (distance) C4'-P energy: -48.015 bonds (distance) P-C4' energy: -60.261 flat angles C4'-P-C4' energy: -47.472 flat angles P-C4'-P energy: -35.416 tors. eta vs tors. theta energy: -13.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -257.838243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.838243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.838243 (E_RNA) where: Base-Base interactions energy: -97.950 where: short stacking energy: -82.160 Base-Backbone interact. energy: -1.139 local terms energy: -158.749979 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -50.822 flat angles C4'-P-C4' energy: -30.366 flat angles P-C4'-P energy: -18.529 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1047.864657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.864657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.864657 (E_RNA) where: Base-Base interactions energy: -717.525 where: short stacking energy: -315.872 Base-Backbone interact. energy: -1.064 local terms energy: -329.275629 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -69.406 flat angles P-C4'-P energy: -42.259 tors. eta vs tors. theta energy: -92.868 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: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -975.123883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.123883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.123883 (E_RNA) where: Base-Base interactions energy: -672.594 where: short stacking energy: -296.327 Base-Backbone interact. energy: -0.863 local terms energy: -301.666605 where: bonds (distance) C4'-P energy: -51.156 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -67.398 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: -80.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -964.977739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.977739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.977739 (E_RNA) where: Base-Base interactions energy: -662.443 where: short stacking energy: -286.414 Base-Backbone interact. energy: -1.270 local terms energy: -301.264376 where: bonds (distance) C4'-P energy: -52.977 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -62.898 flat angles P-C4'-P energy: -41.908 tors. eta vs tors. theta energy: -82.613 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: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -885.358505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.358505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.358505 (E_RNA) where: Base-Base interactions energy: -588.328 where: short stacking energy: -252.245 Base-Backbone interact. energy: 1.112 local terms energy: -298.142275 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -58.726 flat angles C4'-P-C4' energy: -61.468 flat angles P-C4'-P energy: -40.178 tors. eta vs tors. theta energy: -78.815 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: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -864.669372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.669372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.669372 (E_RNA) where: Base-Base interactions energy: -594.808 where: short stacking energy: -268.656 Base-Backbone interact. energy: -1.718 local terms energy: -268.143270 where: bonds (distance) C4'-P energy: -52.022 bonds (distance) P-C4' energy: -62.292 flat angles C4'-P-C4' energy: -49.881 flat angles P-C4'-P energy: -30.329 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: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -900.540775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.540775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.540775 (E_RNA) where: Base-Base interactions energy: -625.798 where: short stacking energy: -270.662 Base-Backbone interact. energy: 1.360 local terms energy: -276.103007 where: bonds (distance) C4'-P energy: -42.742 bonds (distance) P-C4' energy: -58.951 flat angles C4'-P-C4' energy: -51.521 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: -86.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -820.613611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.613611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.613611 (E_RNA) where: Base-Base interactions energy: -555.803 where: short stacking energy: -238.153 Base-Backbone interact. energy: -0.846 local terms energy: -263.964814 where: bonds (distance) C4'-P energy: -46.652 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -58.009 flat angles P-C4'-P energy: -30.768 tors. eta vs tors. theta energy: -67.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -582.459816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.459816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.459816 (E_RNA) where: Base-Base interactions energy: -370.989 where: short stacking energy: -153.679 Base-Backbone interact. energy: 1.523 local terms energy: -212.993564 where: bonds (distance) C4'-P energy: -60.086 bonds (distance) P-C4' energy: -48.576 flat angles C4'-P-C4' energy: -41.879 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: -25.612 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: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -432.110031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.110031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.110031 (E_RNA) where: Base-Base interactions energy: -233.142 where: short stacking energy: -128.593 Base-Backbone interact. energy: -0.816 local terms energy: -198.152192 where: bonds (distance) C4'-P energy: -53.607 bonds (distance) P-C4' energy: -51.809 flat angles C4'-P-C4' energy: -55.598 flat angles P-C4'-P energy: -24.745 tors. eta vs tors. theta energy: -12.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -240.696635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.696635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.696635 (E_RNA) where: Base-Base interactions energy: -81.456 where: short stacking energy: -78.176 Base-Backbone interact. energy: -0.869 local terms energy: -158.371431 where: bonds (distance) C4'-P energy: -44.656 bonds (distance) P-C4' energy: -43.557 flat angles C4'-P-C4' energy: -36.777 flat angles P-C4'-P energy: -30.847 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1049.104231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.104231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.104231 (E_RNA) where: Base-Base interactions energy: -722.954 where: short stacking energy: -324.508 Base-Backbone interact. energy: 0.065 local terms energy: -326.214765 where: bonds (distance) C4'-P energy: -59.720 bonds (distance) P-C4' energy: -63.721 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -98.066 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: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -971.034928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.034928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.034928 (E_RNA) where: Base-Base interactions energy: -671.161 where: short stacking energy: -276.647 Base-Backbone interact. energy: -2.194 local terms energy: -297.680004 where: bonds (distance) C4'-P energy: -59.219 bonds (distance) P-C4' energy: -59.547 flat angles C4'-P-C4' energy: -63.204 flat angles P-C4'-P energy: -37.918 tors. eta vs tors. theta energy: -77.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -987.076350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.076350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.076350 (E_RNA) where: Base-Base interactions energy: -697.972 where: short stacking energy: -298.218 Base-Backbone interact. energy: -0.472 local terms energy: -288.632420 where: bonds (distance) C4'-P energy: -51.730 bonds (distance) P-C4' energy: -55.044 flat angles C4'-P-C4' energy: -60.681 flat angles P-C4'-P energy: -40.241 tors. eta vs tors. theta energy: -80.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -885.356386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.356386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.356386 (E_RNA) where: Base-Base interactions energy: -612.477 where: short stacking energy: -254.816 Base-Backbone interact. energy: -0.957 local terms energy: -271.922750 where: bonds (distance) C4'-P energy: -56.835 bonds (distance) P-C4' energy: -49.157 flat angles C4'-P-C4' energy: -67.127 flat angles P-C4'-P energy: -35.667 tors. eta vs tors. theta energy: -63.137 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: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -927.593755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.593755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.593755 (E_RNA) where: Base-Base interactions energy: -626.379 where: short stacking energy: -292.240 Base-Backbone interact. energy: -1.513 local terms energy: -299.702080 where: bonds (distance) C4'-P energy: -53.732 bonds (distance) P-C4' energy: -60.062 flat angles C4'-P-C4' energy: -60.046 flat angles P-C4'-P energy: -35.336 tors. eta vs tors. theta energy: -90.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -828.876210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.876210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.876210 (E_RNA) where: Base-Base interactions energy: -556.052 where: short stacking energy: -254.805 Base-Backbone interact. energy: 0.205 local terms energy: -273.029258 where: bonds (distance) C4'-P energy: -48.964 bonds (distance) P-C4' energy: -49.991 flat angles C4'-P-C4' energy: -59.426 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -72.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -807.301948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.301948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.301948 (E_RNA) where: Base-Base interactions energy: -556.458 where: short stacking energy: -245.936 Base-Backbone interact. energy: -0.391 local terms energy: -250.453026 where: bonds (distance) C4'-P energy: -49.494 bonds (distance) P-C4' energy: -45.816 flat angles C4'-P-C4' energy: -61.620 flat angles P-C4'-P energy: -31.973 tors. eta vs tors. theta energy: -61.551 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: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -568.487851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.487851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.487851 (E_RNA) where: Base-Base interactions energy: -378.166 where: short stacking energy: -163.475 Base-Backbone interact. energy: -1.726 local terms energy: -188.595686 where: bonds (distance) C4'-P energy: -45.031 bonds (distance) P-C4' energy: -50.187 flat angles C4'-P-C4' energy: -55.079 flat angles P-C4'-P energy: -15.894 tors. eta vs tors. theta energy: -22.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -396.507600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.507600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.507600 (E_RNA) where: Base-Base interactions energy: -233.104 where: short stacking energy: -112.270 Base-Backbone interact. energy: -1.922 local terms energy: -161.481494 where: bonds (distance) C4'-P energy: -47.973 bonds (distance) P-C4' energy: -49.035 flat angles C4'-P-C4' energy: -42.324 flat angles P-C4'-P energy: -17.448 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -311.990266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.990266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.990266 (E_RNA) where: Base-Base interactions energy: -143.427 where: short stacking energy: -94.849 Base-Backbone interact. energy: 0.952 local terms energy: -169.515690 where: bonds (distance) C4'-P energy: -45.815 bonds (distance) P-C4' energy: -53.331 flat angles C4'-P-C4' energy: -41.816 flat angles P-C4'-P energy: -25.027 tors. eta vs tors. theta energy: -3.527 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: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1065.900122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.900122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.900122 (E_RNA) where: Base-Base interactions energy: -736.573 where: short stacking energy: -316.959 Base-Backbone interact. energy: -1.391 local terms energy: -327.935532 where: bonds (distance) C4'-P energy: -56.008 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -92.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -988.089810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.089810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.089810 (E_RNA) where: Base-Base interactions energy: -698.315 where: short stacking energy: -291.372 Base-Backbone interact. energy: 0.313 local terms energy: -290.087727 where: bonds (distance) C4'-P energy: -58.683 bonds (distance) P-C4' energy: -53.220 flat angles C4'-P-C4' energy: -59.448 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: -81.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -957.269700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.269700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.269700 (E_RNA) where: Base-Base interactions energy: -664.147 where: short stacking energy: -289.796 Base-Backbone interact. energy: -2.599 local terms energy: -290.523245 where: bonds (distance) C4'-P energy: -44.459 bonds (distance) P-C4' energy: -63.703 flat angles C4'-P-C4' energy: -59.692 flat angles P-C4'-P energy: -42.951 tors. eta vs tors. theta energy: -79.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -965.959393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.959393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.959393 (E_RNA) where: Base-Base interactions energy: -664.268 where: short stacking energy: -301.943 Base-Backbone interact. energy: -0.612 local terms energy: -301.079394 where: bonds (distance) C4'-P energy: -45.618 bonds (distance) P-C4' energy: -54.508 flat angles C4'-P-C4' energy: -61.602 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -92.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -860.965412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.965412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.965412 (E_RNA) where: Base-Base interactions energy: -597.033 where: short stacking energy: -225.667 Base-Backbone interact. energy: -0.160 local terms energy: -263.771952 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -50.252 flat angles C4'-P-C4' energy: -59.535 flat angles P-C4'-P energy: -43.238 tors. eta vs tors. theta energy: -56.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -802.843661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.843661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.843661 (E_RNA) where: Base-Base interactions energy: -537.639 where: short stacking energy: -264.404 Base-Backbone interact. energy: -0.259 local terms energy: -264.945974 where: bonds (distance) C4'-P energy: -46.666 bonds (distance) P-C4' energy: -49.608 flat angles C4'-P-C4' energy: -60.861 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: -67.922 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: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -819.449989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.449989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.449989 (E_RNA) where: Base-Base interactions energy: -566.568 where: short stacking energy: -263.164 Base-Backbone interact. energy: -0.042 local terms energy: -252.839412 where: bonds (distance) C4'-P energy: -41.570 bonds (distance) P-C4' energy: -48.556 flat angles C4'-P-C4' energy: -50.410 flat angles P-C4'-P energy: -41.373 tors. eta vs tors. theta energy: -70.931 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: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -611.233147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.233147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.233147 (E_RNA) where: Base-Base interactions energy: -378.918 where: short stacking energy: -167.867 Base-Backbone interact. energy: 5.423 local terms energy: -237.738000 where: bonds (distance) C4'-P energy: -55.834 bonds (distance) P-C4' energy: -51.257 flat angles C4'-P-C4' energy: -57.120 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -35.640 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: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -433.424695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.424695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.424695 (E_RNA) where: Base-Base interactions energy: -240.900 where: short stacking energy: -142.118 Base-Backbone interact. energy: 2.745 local terms energy: -195.269206 where: bonds (distance) C4'-P energy: -41.504 bonds (distance) P-C4' energy: -51.685 flat angles C4'-P-C4' energy: -59.934 flat angles P-C4'-P energy: -18.166 tors. eta vs tors. theta energy: -23.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -304.206644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.206644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.206644 (E_RNA) where: Base-Base interactions energy: -131.517 where: short stacking energy: -94.051 Base-Backbone interact. energy: 0.143 local terms energy: -172.832566 where: bonds (distance) C4'-P energy: -42.986 bonds (distance) P-C4' energy: -62.819 flat angles C4'-P-C4' energy: -44.317 flat angles P-C4'-P energy: -25.296 tors. eta vs tors. theta energy: 2.584 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: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1041.358572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.358572 (E_RNA) where: Base-Base interactions energy: -714.304 where: short stacking energy: -296.530 Base-Backbone interact. energy: -0.671 local terms energy: -326.383593 where: bonds (distance) C4'-P energy: -64.005 bonds (distance) P-C4' energy: -57.397 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -51.450 tors. eta vs tors. theta energy: -90.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1000.738159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.738159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.738159 (E_RNA) where: Base-Base interactions energy: -680.097 where: short stacking energy: -292.530 Base-Backbone interact. energy: -0.354 local terms energy: -320.287718 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -56.691 flat angles C4'-P-C4' energy: -66.075 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: -87.203 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: 356 Temperature: 1.000000 Total energy: -978.126419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.126419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.126419 (E_RNA) where: Base-Base interactions energy: -680.872 where: short stacking energy: -308.477 Base-Backbone interact. energy: -2.406 local terms energy: -294.848965 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -49.346 flat angles C4'-P-C4' energy: -61.945 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -86.411 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: 356 Temperature: 1.050000 Total energy: -925.604117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.604117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.604117 (E_RNA) where: Base-Base interactions energy: -633.818 where: short stacking energy: -275.621 Base-Backbone interact. energy: -3.150 local terms energy: -288.636149 where: bonds (distance) C4'-P energy: -55.423 bonds (distance) P-C4' energy: -53.837 flat angles C4'-P-C4' energy: -64.088 flat angles P-C4'-P energy: -38.214 tors. eta vs tors. theta energy: -77.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -840.914404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.914404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.914404 (E_RNA) where: Base-Base interactions energy: -586.717 where: short stacking energy: -274.416 Base-Backbone interact. energy: 0.961 local terms energy: -255.157842 where: bonds (distance) C4'-P energy: -37.307 bonds (distance) P-C4' energy: -44.119 flat angles C4'-P-C4' energy: -56.668 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -74.058 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -811.198645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.198645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.198645 (E_RNA) where: Base-Base interactions energy: -533.285 where: short stacking energy: -242.221 Base-Backbone interact. energy: -0.554 local terms energy: -277.359287 where: bonds (distance) C4'-P energy: -47.973 bonds (distance) P-C4' energy: -54.377 flat angles C4'-P-C4' energy: -66.919 flat angles P-C4'-P energy: -40.316 tors. eta vs tors. theta energy: -67.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -824.982645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.982645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.982645 (E_RNA) where: Base-Base interactions energy: -542.347 where: short stacking energy: -256.816 Base-Backbone interact. energy: -1.597 local terms energy: -281.038824 where: bonds (distance) C4'-P energy: -47.375 bonds (distance) P-C4' energy: -56.354 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -34.355 tors. eta vs tors. theta energy: -76.600 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: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -611.062856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.062856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.062856 (E_RNA) where: Base-Base interactions energy: -386.541 where: short stacking energy: -163.951 Base-Backbone interact. energy: -0.114 local terms energy: -224.407708 where: bonds (distance) C4'-P energy: -48.590 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -54.694 flat angles P-C4'-P energy: -28.060 tors. eta vs tors. theta energy: -34.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -396.913367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.913367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.913367 (E_RNA) where: Base-Base interactions energy: -213.013 where: short stacking energy: -136.402 Base-Backbone interact. energy: -1.165 local terms energy: -182.735187 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -47.224 flat angles C4'-P-C4' energy: -40.984 flat angles P-C4'-P energy: -22.235 tors. eta vs tors. theta energy: -17.191 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: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -271.573246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.573246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.573246 (E_RNA) where: Base-Base interactions energy: -120.576 where: short stacking energy: -78.088 Base-Backbone interact. energy: 2.707 local terms energy: -153.704492 where: bonds (distance) C4'-P energy: -39.663 bonds (distance) P-C4' energy: -53.825 flat angles C4'-P-C4' energy: -45.008 flat angles P-C4'-P energy: -26.648 tors. eta vs tors. theta energy: 11.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1056.377935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.377935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.377935 (E_RNA) where: Base-Base interactions energy: -749.503 where: short stacking energy: -310.190 Base-Backbone interact. energy: -0.988 local terms energy: -305.887026 where: bonds (distance) C4'-P energy: -46.355 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -62.188 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -93.977 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -986.841539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.841539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.841539 (E_RNA) where: Base-Base interactions energy: -678.595 where: short stacking energy: -309.487 Base-Backbone interact. energy: 0.229 local terms energy: -308.475405 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -58.394 flat angles C4'-P-C4' energy: -68.313 flat angles P-C4'-P energy: -33.044 tors. eta vs tors. theta energy: -91.459 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: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -974.830697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.830697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.830697 (E_RNA) where: Base-Base interactions energy: -682.586 where: short stacking energy: -291.471 Base-Backbone interact. energy: -1.505 local terms energy: -290.740037 where: bonds (distance) C4'-P energy: -51.587 bonds (distance) P-C4' energy: -51.314 flat angles C4'-P-C4' energy: -65.864 flat angles P-C4'-P energy: -45.319 tors. eta vs tors. theta energy: -76.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -914.154936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.154936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.154936 (E_RNA) where: Base-Base interactions energy: -624.903 where: short stacking energy: -280.314 Base-Backbone interact. energy: -2.251 local terms energy: -287.001464 where: bonds (distance) C4'-P energy: -51.260 bonds (distance) P-C4' energy: -52.742 flat angles C4'-P-C4' energy: -61.849 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -84.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -847.522085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.522085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.522085 (E_RNA) where: Base-Base interactions energy: -592.495 where: short stacking energy: -268.578 Base-Backbone interact. energy: -1.034 local terms energy: -253.993187 where: bonds (distance) C4'-P energy: -47.596 bonds (distance) P-C4' energy: -49.114 flat angles C4'-P-C4' energy: -51.614 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -65.550 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: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -841.730348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.730348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.730348 (E_RNA) where: Base-Base interactions energy: -552.304 where: short stacking energy: -252.212 Base-Backbone interact. energy: -0.862 local terms energy: -288.564518 where: bonds (distance) C4'-P energy: -51.005 bonds (distance) P-C4' energy: -52.232 flat angles C4'-P-C4' energy: -63.427 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -76.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -777.246455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.246455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.246455 (E_RNA) where: Base-Base interactions energy: -548.698 where: short stacking energy: -236.419 Base-Backbone interact. energy: 0.460 local terms energy: -229.008516 where: bonds (distance) C4'-P energy: -41.026 bonds (distance) P-C4' energy: -46.885 flat angles C4'-P-C4' energy: -42.715 flat angles P-C4'-P energy: -33.493 tors. eta vs tors. theta energy: -64.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -561.573483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.573483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.573483 (E_RNA) where: Base-Base interactions energy: -363.267 where: short stacking energy: -157.173 Base-Backbone interact. energy: -2.177 local terms energy: -196.129347 where: bonds (distance) C4'-P energy: -50.619 bonds (distance) P-C4' energy: -60.244 flat angles C4'-P-C4' energy: -38.767 flat angles P-C4'-P energy: -22.959 tors. eta vs tors. theta energy: -23.540 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: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -412.144013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.144013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.144013 (E_RNA) where: Base-Base interactions energy: -213.446 where: short stacking energy: -130.007 Base-Backbone interact. energy: -0.803 local terms energy: -197.895421 where: bonds (distance) C4'-P energy: -42.056 bonds (distance) P-C4' energy: -50.747 flat angles C4'-P-C4' energy: -52.940 flat angles P-C4'-P energy: -36.448 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -323.317305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.317305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.317305 (E_RNA) where: Base-Base interactions energy: -156.883 where: short stacking energy: -88.365 Base-Backbone interact. energy: -0.357 local terms energy: -166.076953 where: bonds (distance) C4'-P energy: -35.234 bonds (distance) P-C4' energy: -60.876 flat angles C4'-P-C4' energy: -45.623 flat angles P-C4'-P energy: -32.290 tors. eta vs tors. theta energy: 7.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1068.990534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.990534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.990534 (E_RNA) where: Base-Base interactions energy: -739.292 where: short stacking energy: -321.063 Base-Backbone interact. energy: -0.355 local terms energy: -329.343752 where: bonds (distance) C4'-P energy: -53.409 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -74.205 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -97.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -984.573826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.573826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.573826 (E_RNA) where: Base-Base interactions energy: -668.038 where: short stacking energy: -291.085 Base-Backbone interact. energy: -3.092 local terms energy: -313.443386 where: bonds (distance) C4'-P energy: -60.005 bonds (distance) P-C4' energy: -56.989 flat angles C4'-P-C4' energy: -65.931 flat angles P-C4'-P energy: -46.006 tors. eta vs tors. theta energy: -84.513 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: 358 Temperature: 1.000000 Total energy: -979.110293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.110293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.110293 (E_RNA) where: Base-Base interactions energy: -690.426 where: short stacking energy: -314.395 Base-Backbone interact. energy: -0.173 local terms energy: -288.511612 where: bonds (distance) C4'-P energy: -47.806 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -58.666 flat angles P-C4'-P energy: -32.308 tors. eta vs tors. theta energy: -85.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -879.643264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.643264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.643264 (E_RNA) where: Base-Base interactions energy: -581.803 where: short stacking energy: -245.644 Base-Backbone interact. energy: -0.713 local terms energy: -297.127121 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -60.510 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -71.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -850.248154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.248154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.248154 (E_RNA) where: Base-Base interactions energy: -566.752 where: short stacking energy: -251.570 Base-Backbone interact. energy: 1.558 local terms energy: -285.053618 where: bonds (distance) C4'-P energy: -50.008 bonds (distance) P-C4' energy: -50.154 flat angles C4'-P-C4' energy: -64.146 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -74.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -809.892092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.892092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.892092 (E_RNA) where: Base-Base interactions energy: -531.733 where: short stacking energy: -255.370 Base-Backbone interact. energy: -0.402 local terms energy: -277.756407 where: bonds (distance) C4'-P energy: -45.784 bonds (distance) P-C4' energy: -50.844 flat angles C4'-P-C4' energy: -60.623 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: -83.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -762.120324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.120324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.120324 (E_RNA) where: Base-Base interactions energy: -528.238 where: short stacking energy: -228.069 Base-Backbone interact. energy: 0.023 local terms energy: -233.904808 where: bonds (distance) C4'-P energy: -48.433 bonds (distance) P-C4' energy: -34.105 flat angles C4'-P-C4' energy: -54.709 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: -53.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -579.052110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.052110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.052110 (E_RNA) where: Base-Base interactions energy: -370.642 where: short stacking energy: -148.007 Base-Backbone interact. energy: -1.664 local terms energy: -206.745505 where: bonds (distance) C4'-P energy: -47.822 bonds (distance) P-C4' energy: -54.782 flat angles C4'-P-C4' energy: -52.356 flat angles P-C4'-P energy: -37.960 tors. eta vs tors. theta energy: -13.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -405.539714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.539714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.539714 (E_RNA) where: Base-Base interactions energy: -222.250 where: short stacking energy: -117.457 Base-Backbone interact. energy: 6.722 local terms energy: -190.011756 where: bonds (distance) C4'-P energy: -51.568 bonds (distance) P-C4' energy: -63.021 flat angles C4'-P-C4' energy: -44.482 flat angles P-C4'-P energy: -25.055 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -376.719950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.719950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.719950 (E_RNA) where: Base-Base interactions energy: -200.202 where: short stacking energy: -107.997 Base-Backbone interact. energy: 1.120 local terms energy: -177.637559 where: bonds (distance) C4'-P energy: -54.011 bonds (distance) P-C4' energy: -47.848 flat angles C4'-P-C4' energy: -41.723 flat angles P-C4'-P energy: -29.473 tors. eta vs tors. theta energy: -4.582 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: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1051.302266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.302266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.302266 (E_RNA) where: Base-Base interactions energy: -733.275 where: short stacking energy: -315.546 Base-Backbone interact. energy: -1.841 local terms energy: -316.186454 where: bonds (distance) C4'-P energy: -50.149 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -41.875 tors. eta vs tors. theta energy: -98.760 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: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1006.842550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.842550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.842550 (E_RNA) where: Base-Base interactions energy: -707.474 where: short stacking energy: -301.435 Base-Backbone interact. energy: -0.571 local terms energy: -298.797462 where: bonds (distance) C4'-P energy: -52.236 bonds (distance) P-C4' energy: -61.988 flat angles C4'-P-C4' energy: -66.776 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: -82.969 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: 359 Temperature: 1.000000 Total energy: -984.045835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.045835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.045835 (E_RNA) where: Base-Base interactions energy: -667.236 where: short stacking energy: -309.805 Base-Backbone interact. energy: -2.745 local terms energy: -314.064908 where: bonds (distance) C4'-P energy: -51.312 bonds (distance) P-C4' energy: -52.694 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -92.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -891.928618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.928618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.928618 (E_RNA) where: Base-Base interactions energy: -601.026 where: short stacking energy: -278.996 Base-Backbone interact. energy: 0.207 local terms energy: -291.109365 where: bonds (distance) C4'-P energy: -50.474 bonds (distance) P-C4' energy: -54.866 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: -75.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -906.717365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.717365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.717365 (E_RNA) where: Base-Base interactions energy: -613.134 where: short stacking energy: -275.388 Base-Backbone interact. energy: -1.183 local terms energy: -292.399976 where: bonds (distance) C4'-P energy: -52.028 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -61.526 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -78.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -827.326679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.326679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.326679 (E_RNA) where: Base-Base interactions energy: -562.597 where: short stacking energy: -241.873 Base-Backbone interact. energy: -0.437 local terms energy: -264.292928 where: bonds (distance) C4'-P energy: -43.707 bonds (distance) P-C4' energy: -41.316 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -65.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -813.783251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.783251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.783251 (E_RNA) where: Base-Base interactions energy: -560.530 where: short stacking energy: -250.011 Base-Backbone interact. energy: 0.907 local terms energy: -254.160291 where: bonds (distance) C4'-P energy: -51.220 bonds (distance) P-C4' energy: -46.932 flat angles C4'-P-C4' energy: -58.939 flat angles P-C4'-P energy: -29.883 tors. eta vs tors. theta energy: -67.186 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -594.790724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.790724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.790724 (E_RNA) where: Base-Base interactions energy: -383.524 where: short stacking energy: -186.936 Base-Backbone interact. energy: 0.058 local terms energy: -211.324926 where: bonds (distance) C4'-P energy: -43.462 bonds (distance) P-C4' energy: -59.808 flat angles C4'-P-C4' energy: -44.148 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -51.909 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: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -358.187593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.187593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.187593 (E_RNA) where: Base-Base interactions energy: -196.250 where: short stacking energy: -117.718 Base-Backbone interact. energy: -0.777 local terms energy: -161.160990 where: bonds (distance) C4'-P energy: -40.892 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -30.157 flat angles P-C4'-P energy: -12.779 tors. eta vs tors. theta energy: -19.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -407.658035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.658035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.658035 (E_RNA) where: Base-Base interactions energy: -200.690 where: short stacking energy: -120.726 Base-Backbone interact. energy: -2.627 local terms energy: -204.341015 where: bonds (distance) C4'-P energy: -49.925 bonds (distance) P-C4' energy: -52.641 flat angles C4'-P-C4' energy: -51.626 flat angles P-C4'-P energy: -27.190 tors. eta vs tors. theta energy: -22.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1045.198561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.198561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.198561 (E_RNA) where: Base-Base interactions energy: -720.318 where: short stacking energy: -307.567 Base-Backbone interact. energy: 0.159 local terms energy: -325.039183 where: bonds (distance) C4'-P energy: -60.006 bonds (distance) P-C4' energy: -61.637 flat angles C4'-P-C4' energy: -64.469 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: -95.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -981.760877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.760877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.760877 (E_RNA) where: Base-Base interactions energy: -668.597 where: short stacking energy: -306.774 Base-Backbone interact. energy: -0.029 local terms energy: -313.134507 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -62.545 flat angles C4'-P-C4' energy: -64.466 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -86.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -975.287313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.287313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.287313 (E_RNA) where: Base-Base interactions energy: -667.892 where: short stacking energy: -290.394 Base-Backbone interact. energy: -0.551 local terms energy: -306.844107 where: bonds (distance) C4'-P energy: -54.440 bonds (distance) P-C4' energy: -51.979 flat angles C4'-P-C4' energy: -69.205 flat angles P-C4'-P energy: -39.848 tors. eta vs tors. theta energy: -91.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -884.811802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.811802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.811802 (E_RNA) where: Base-Base interactions energy: -588.725 where: short stacking energy: -258.450 Base-Backbone interact. energy: -0.808 local terms energy: -295.278738 where: bonds (distance) C4'-P energy: -56.885 bonds (distance) P-C4' energy: -65.561 flat angles C4'-P-C4' energy: -58.626 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -76.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -934.943599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.943599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.943599 (E_RNA) where: Base-Base interactions energy: -628.279 where: short stacking energy: -282.933 Base-Backbone interact. energy: -0.666 local terms energy: -305.998620 where: bonds (distance) C4'-P energy: -49.587 bonds (distance) P-C4' energy: -61.719 flat angles C4'-P-C4' energy: -65.666 flat angles P-C4'-P energy: -41.396 tors. eta vs tors. theta energy: -87.630 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: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -798.784870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.784870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.784870 (E_RNA) where: Base-Base interactions energy: -542.295 where: short stacking energy: -239.249 Base-Backbone interact. energy: -0.767 local terms energy: -255.723334 where: bonds (distance) C4'-P energy: -52.926 bonds (distance) P-C4' energy: -47.776 flat angles C4'-P-C4' energy: -58.140 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: -59.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -798.103739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.103739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.103739 (E_RNA) where: Base-Base interactions energy: -549.378 where: short stacking energy: -242.946 Base-Backbone interact. energy: -0.289 local terms energy: -248.436514 where: bonds (distance) C4'-P energy: -38.752 bonds (distance) P-C4' energy: -47.673 flat angles C4'-P-C4' energy: -65.960 flat angles P-C4'-P energy: -30.020 tors. eta vs tors. theta energy: -66.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -522.125335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.125335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.125335 (E_RNA) where: Base-Base interactions energy: -299.429 where: short stacking energy: -161.558 Base-Backbone interact. energy: 0.484 local terms energy: -223.180089 where: bonds (distance) C4'-P energy: -57.797 bonds (distance) P-C4' energy: -54.884 flat angles C4'-P-C4' energy: -56.397 flat angles P-C4'-P energy: -28.991 tors. eta vs tors. theta energy: -25.112 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: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -396.245800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.245800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.245800 (E_RNA) where: Base-Base interactions energy: -212.276 where: short stacking energy: -134.306 Base-Backbone interact. energy: 1.988 local terms energy: -185.958074 where: bonds (distance) C4'-P energy: -41.069 bonds (distance) P-C4' energy: -52.567 flat angles C4'-P-C4' energy: -48.747 flat angles P-C4'-P energy: -30.333 tors. eta vs tors. theta energy: -13.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -370.322284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.322284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.322284 (E_RNA) where: Base-Base interactions energy: -177.757 where: short stacking energy: -97.467 Base-Backbone interact. energy: -1.148 local terms energy: -191.417176 where: bonds (distance) C4'-P energy: -55.042 bonds (distance) P-C4' energy: -48.442 flat angles C4'-P-C4' energy: -52.118 flat angles P-C4'-P energy: -28.695 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1056.455419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.455419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.455419 (E_RNA) where: Base-Base interactions energy: -732.731 where: short stacking energy: -319.767 Base-Backbone interact. energy: -0.777 local terms energy: -322.947311 where: bonds (distance) C4'-P energy: -52.194 bonds (distance) P-C4' energy: -55.602 flat angles C4'-P-C4' energy: -70.494 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -98.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -985.379861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.379861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.379861 (E_RNA) where: Base-Base interactions energy: -675.019 where: short stacking energy: -297.910 Base-Backbone interact. energy: -0.881 local terms energy: -309.479558 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -60.626 flat angles C4'-P-C4' energy: -59.045 flat angles P-C4'-P energy: -36.167 tors. eta vs tors. theta energy: -94.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -964.570344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.570344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.570344 (E_RNA) where: Base-Base interactions energy: -661.108 where: short stacking energy: -288.991 Base-Backbone interact. energy: -0.145 local terms energy: -303.317324 where: bonds (distance) C4'-P energy: -54.445 bonds (distance) P-C4' energy: -63.435 flat angles C4'-P-C4' energy: -67.448 flat angles P-C4'-P energy: -41.814 tors. eta vs tors. theta energy: -76.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -940.747857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.747857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.747857 (E_RNA) where: Base-Base interactions energy: -634.792 where: short stacking energy: -295.595 Base-Backbone interact. energy: -3.124 local terms energy: -302.831407 where: bonds (distance) C4'-P energy: -58.188 bonds (distance) P-C4' energy: -57.417 flat angles C4'-P-C4' energy: -58.060 flat angles P-C4'-P energy: -46.868 tors. eta vs tors. theta energy: -82.298 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: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -897.910271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.910271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.910271 (E_RNA) where: Base-Base interactions energy: -606.153 where: short stacking energy: -263.319 Base-Backbone interact. energy: -0.661 local terms energy: -291.095761 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -56.102 flat angles C4'-P-C4' energy: -57.490 flat angles P-C4'-P energy: -43.042 tors. eta vs tors. theta energy: -83.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -797.215134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.215134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.215134 (E_RNA) where: Base-Base interactions energy: -538.367 where: short stacking energy: -258.694 Base-Backbone interact. energy: -0.409 local terms energy: -258.439657 where: bonds (distance) C4'-P energy: -44.374 bonds (distance) P-C4' energy: -52.089 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -32.282 tors. eta vs tors. theta energy: -69.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -783.548476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.548476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.548476 (E_RNA) where: Base-Base interactions energy: -523.773 where: short stacking energy: -242.829 Base-Backbone interact. energy: -0.192 local terms energy: -259.584053 where: bonds (distance) C4'-P energy: -48.318 bonds (distance) P-C4' energy: -55.656 flat angles C4'-P-C4' energy: -63.693 flat angles P-C4'-P energy: -27.299 tors. eta vs tors. theta energy: -64.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -616.171817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.171817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.171817 (E_RNA) where: Base-Base interactions energy: -405.369 where: short stacking energy: -182.822 Base-Backbone interact. energy: -0.373 local terms energy: -210.429262 where: bonds (distance) C4'-P energy: -43.321 bonds (distance) P-C4' energy: -46.986 flat angles C4'-P-C4' energy: -62.569 flat angles P-C4'-P energy: -29.197 tors. eta vs tors. theta energy: -28.356 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: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -413.602806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.602806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.602806 (E_RNA) where: Base-Base interactions energy: -198.368 where: short stacking energy: -133.646 Base-Backbone interact. energy: -0.845 local terms energy: -214.389461 where: bonds (distance) C4'-P energy: -48.568 bonds (distance) P-C4' energy: -56.450 flat angles C4'-P-C4' energy: -53.678 flat angles P-C4'-P energy: -32.907 tors. eta vs tors. theta energy: -22.786 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: 361 Temperature: 1.350000 Total energy: -330.993713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.993713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.993713 (E_RNA) where: Base-Base interactions energy: -164.109 where: short stacking energy: -117.205 Base-Backbone interact. energy: -0.781 local terms energy: -166.103966 where: bonds (distance) C4'-P energy: -46.887 bonds (distance) P-C4' energy: -33.307 flat angles C4'-P-C4' energy: -46.991 flat angles P-C4'-P energy: -26.177 tors. eta vs tors. theta energy: -12.743 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: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1042.021395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.021395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.021395 (E_RNA) where: Base-Base interactions energy: -723.968 where: short stacking energy: -301.715 Base-Backbone interact. energy: 0.227 local terms energy: -318.280350 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -56.254 flat angles C4'-P-C4' energy: -60.946 flat angles P-C4'-P energy: -41.818 tors. eta vs tors. theta energy: -94.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -982.507872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.507872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.507872 (E_RNA) where: Base-Base interactions energy: -680.536 where: short stacking energy: -312.153 Base-Backbone interact. energy: -1.535 local terms energy: -300.436732 where: bonds (distance) C4'-P energy: -53.723 bonds (distance) P-C4' energy: -46.703 flat angles C4'-P-C4' energy: -65.152 flat angles P-C4'-P energy: -45.884 tors. eta vs tors. theta energy: -88.974 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: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -950.977821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.977821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.977821 (E_RNA) where: Base-Base interactions energy: -638.187 where: short stacking energy: -280.510 Base-Backbone interact. energy: 0.504 local terms energy: -313.294377 where: bonds (distance) C4'-P energy: -56.172 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -68.750 flat angles P-C4'-P energy: -37.667 tors. eta vs tors. theta energy: -86.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -947.977403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.977403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.977403 (E_RNA) where: Base-Base interactions energy: -655.421 where: short stacking energy: -285.276 Base-Backbone interact. energy: -0.248 local terms energy: -292.308542 where: bonds (distance) C4'-P energy: -53.904 bonds (distance) P-C4' energy: -58.446 flat angles C4'-P-C4' energy: -62.710 flat angles P-C4'-P energy: -43.966 tors. eta vs tors. theta energy: -73.282 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: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -901.339586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.339586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.339586 (E_RNA) where: Base-Base interactions energy: -631.224 where: short stacking energy: -285.521 Base-Backbone interact. energy: -3.024 local terms energy: -267.092286 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -55.451 flat angles C4'-P-C4' energy: -53.097 flat angles P-C4'-P energy: -34.238 tors. eta vs tors. theta energy: -74.850 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: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -807.807949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.807949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.807949 (E_RNA) where: Base-Base interactions energy: -554.470 where: short stacking energy: -257.304 Base-Backbone interact. energy: -2.852 local terms energy: -250.486600 where: bonds (distance) C4'-P energy: -51.604 bonds (distance) P-C4' energy: -39.501 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -27.748 tors. eta vs tors. theta energy: -72.862 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: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -775.019391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.019391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.019391 (E_RNA) where: Base-Base interactions energy: -521.497 where: short stacking energy: -219.795 Base-Backbone interact. energy: 2.065 local terms energy: -255.587466 where: bonds (distance) C4'-P energy: -47.261 bonds (distance) P-C4' energy: -58.437 flat angles C4'-P-C4' energy: -59.361 flat angles P-C4'-P energy: -34.180 tors. eta vs tors. theta energy: -56.348 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: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -587.231473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.231473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.231473 (E_RNA) where: Base-Base interactions energy: -381.172 where: short stacking energy: -166.584 Base-Backbone interact. energy: 1.020 local terms energy: -207.078773 where: bonds (distance) C4'-P energy: -50.875 bonds (distance) P-C4' energy: -54.145 flat angles C4'-P-C4' energy: -52.703 flat angles P-C4'-P energy: -26.051 tors. eta vs tors. theta energy: -23.305 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: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -437.622817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.622817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.622817 (E_RNA) where: Base-Base interactions energy: -253.904 where: short stacking energy: -155.444 Base-Backbone interact. energy: 6.278 local terms energy: -189.997231 where: bonds (distance) C4'-P energy: -40.857 bonds (distance) P-C4' energy: -44.828 flat angles C4'-P-C4' energy: -53.623 flat angles P-C4'-P energy: -30.726 tors. eta vs tors. theta energy: -19.963 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: 362 Temperature: 1.350000 Total energy: -360.082645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.082645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.082645 (E_RNA) where: Base-Base interactions energy: -199.562 where: short stacking energy: -93.874 Base-Backbone interact. energy: 0.457 local terms energy: -160.977264 where: bonds (distance) C4'-P energy: -41.998 bonds (distance) P-C4' energy: -48.162 flat angles C4'-P-C4' energy: -49.020 flat angles P-C4'-P energy: -26.161 tors. eta vs tors. theta energy: 4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1034.086364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.086364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.086364 (E_RNA) where: Base-Base interactions energy: -715.965 where: short stacking energy: -303.070 Base-Backbone interact. energy: -2.392 local terms energy: -315.729159 where: bonds (distance) C4'-P energy: -56.448 bonds (distance) P-C4' energy: -58.779 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -89.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -998.179251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.179251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.179251 (E_RNA) where: Base-Base interactions energy: -681.554 where: short stacking energy: -304.694 Base-Backbone interact. energy: -0.943 local terms energy: -315.682267 where: bonds (distance) C4'-P energy: -56.305 bonds (distance) P-C4' energy: -54.286 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -87.071 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: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -955.568056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.568056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.568056 (E_RNA) where: Base-Base interactions energy: -651.734 where: short stacking energy: -302.006 Base-Backbone interact. energy: -0.367 local terms energy: -303.466896 where: bonds (distance) C4'-P energy: -51.565 bonds (distance) P-C4' energy: -52.411 flat angles C4'-P-C4' energy: -63.861 flat angles P-C4'-P energy: -46.750 tors. eta vs tors. theta energy: -88.879 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: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -939.949211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.949211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.949211 (E_RNA) where: Base-Base interactions energy: -659.733 where: short stacking energy: -291.162 Base-Backbone interact. energy: -0.531 local terms energy: -279.685142 where: bonds (distance) C4'-P energy: -49.810 bonds (distance) P-C4' energy: -49.138 flat angles C4'-P-C4' energy: -62.886 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -77.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -888.918768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.918768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.918768 (E_RNA) where: Base-Base interactions energy: -609.971 where: short stacking energy: -246.983 Base-Backbone interact. energy: -1.263 local terms energy: -277.684709 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -60.068 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -68.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -824.426331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.426331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.426331 (E_RNA) where: Base-Base interactions energy: -550.981 where: short stacking energy: -254.807 Base-Backbone interact. energy: 0.033 local terms energy: -273.478917 where: bonds (distance) C4'-P energy: -51.515 bonds (distance) P-C4' energy: -49.660 flat angles C4'-P-C4' energy: -66.976 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -67.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -798.505932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.505932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.505932 (E_RNA) where: Base-Base interactions energy: -534.671 where: short stacking energy: -233.132 Base-Backbone interact. energy: -0.363 local terms energy: -263.471786 where: bonds (distance) C4'-P energy: -50.372 bonds (distance) P-C4' energy: -48.625 flat angles C4'-P-C4' energy: -61.460 flat angles P-C4'-P energy: -36.202 tors. eta vs tors. theta energy: -66.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -601.594548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.594548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.594548 (E_RNA) where: Base-Base interactions energy: -375.343 where: short stacking energy: -159.413 Base-Backbone interact. energy: -0.639 local terms energy: -225.612748 where: bonds (distance) C4'-P energy: -55.460 bonds (distance) P-C4' energy: -51.574 flat angles C4'-P-C4' energy: -54.284 flat angles P-C4'-P energy: -28.889 tors. eta vs tors. theta energy: -35.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -417.203063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.203063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.203063 (E_RNA) where: Base-Base interactions energy: -225.556 where: short stacking energy: -128.375 Base-Backbone interact. energy: 2.593 local terms energy: -194.239915 where: bonds (distance) C4'-P energy: -47.380 bonds (distance) P-C4' energy: -42.322 flat angles C4'-P-C4' energy: -47.513 flat angles P-C4'-P energy: -36.682 tors. eta vs tors. theta energy: -20.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -399.187464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.187464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.187464 (E_RNA) where: Base-Base interactions energy: -212.111 where: short stacking energy: -139.819 Base-Backbone interact. energy: 0.083 local terms energy: -187.159411 where: bonds (distance) C4'-P energy: -41.425 bonds (distance) P-C4' energy: -48.671 flat angles C4'-P-C4' energy: -48.371 flat angles P-C4'-P energy: -33.264 tors. eta vs tors. theta energy: -15.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1015.673400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.673400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.673400 (E_RNA) where: Base-Base interactions energy: -697.857 where: short stacking energy: -315.926 Base-Backbone interact. energy: 0.162 local terms energy: -317.979086 where: bonds (distance) C4'-P energy: -48.146 bonds (distance) P-C4' energy: -66.505 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -48.979 tors. eta vs tors. theta energy: -93.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1001.979811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.979811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.979811 (E_RNA) where: Base-Base interactions energy: -681.083 where: short stacking energy: -285.177 Base-Backbone interact. energy: -1.753 local terms energy: -319.143431 where: bonds (distance) C4'-P energy: -57.936 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -56.769 flat angles P-C4'-P energy: -48.405 tors. eta vs tors. theta energy: -88.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -946.371601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.371601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.371601 (E_RNA) where: Base-Base interactions energy: -655.245 where: short stacking energy: -288.482 Base-Backbone interact. energy: 2.042 local terms energy: -293.168690 where: bonds (distance) C4'-P energy: -62.806 bonds (distance) P-C4' energy: -48.095 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -84.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -932.553516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.553516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.553516 (E_RNA) where: Base-Base interactions energy: -641.715 where: short stacking energy: -271.097 Base-Backbone interact. energy: -0.679 local terms energy: -290.158663 where: bonds (distance) C4'-P energy: -51.539 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -61.500 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -81.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -814.917565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.917565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.917565 (E_RNA) where: Base-Base interactions energy: -545.352 where: short stacking energy: -250.257 Base-Backbone interact. energy: -2.345 local terms energy: -267.220966 where: bonds (distance) C4'-P energy: -49.077 bonds (distance) P-C4' energy: -54.352 flat angles C4'-P-C4' energy: -59.240 flat angles P-C4'-P energy: -36.592 tors. eta vs tors. theta energy: -67.959 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: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -840.115679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.115679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.115679 (E_RNA) where: Base-Base interactions energy: -579.914 where: short stacking energy: -237.502 Base-Backbone interact. energy: -0.790 local terms energy: -259.412096 where: bonds (distance) C4'-P energy: -41.137 bonds (distance) P-C4' energy: -49.242 flat angles C4'-P-C4' energy: -57.881 flat angles P-C4'-P energy: -40.838 tors. eta vs tors. theta energy: -70.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -771.153197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.153197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.153197 (E_RNA) where: Base-Base interactions energy: -532.777 where: short stacking energy: -238.327 Base-Backbone interact. energy: -0.660 local terms energy: -237.716764 where: bonds (distance) C4'-P energy: -41.769 bonds (distance) P-C4' energy: -51.943 flat angles C4'-P-C4' energy: -52.175 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -59.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -621.765238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.765238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.765238 (E_RNA) where: Base-Base interactions energy: -413.129 where: short stacking energy: -182.785 Base-Backbone interact. energy: -0.610 local terms energy: -208.025309 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -43.544 flat angles C4'-P-C4' energy: -57.599 flat angles P-C4'-P energy: -20.866 tors. eta vs tors. theta energy: -34.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -393.009316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.009316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.009316 (E_RNA) where: Base-Base interactions energy: -207.610 where: short stacking energy: -116.069 Base-Backbone interact. energy: -0.809 local terms energy: -184.590356 where: bonds (distance) C4'-P energy: -50.834 bonds (distance) P-C4' energy: -61.176 flat angles C4'-P-C4' energy: -33.851 flat angles P-C4'-P energy: -17.771 tors. eta vs tors. theta energy: -20.958 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: 364 Temperature: 1.350000 Total energy: -374.101777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.101777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.101777 (E_RNA) where: Base-Base interactions energy: -206.406 where: short stacking energy: -109.651 Base-Backbone interact. energy: -0.832 local terms energy: -166.863461 where: bonds (distance) C4'-P energy: -38.429 bonds (distance) P-C4' energy: -53.106 flat angles C4'-P-C4' energy: -47.374 flat angles P-C4'-P energy: -19.292 tors. eta vs tors. theta energy: -8.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1017.037094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.037094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.037094 (E_RNA) where: Base-Base interactions energy: -681.068 where: short stacking energy: -320.342 Base-Backbone interact. energy: -2.111 local terms energy: -333.857863 where: bonds (distance) C4'-P energy: -61.525 bonds (distance) P-C4' energy: -56.338 flat angles C4'-P-C4' energy: -69.661 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -97.436 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: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1019.835208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.835208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.835208 (E_RNA) where: Base-Base interactions energy: -725.252 where: short stacking energy: -309.060 Base-Backbone interact. energy: 1.075 local terms energy: -295.657824 where: bonds (distance) C4'-P energy: -57.296 bonds (distance) P-C4' energy: -48.741 flat angles C4'-P-C4' energy: -58.673 flat angles P-C4'-P energy: -44.725 tors. eta vs tors. theta energy: -86.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -947.092945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.092945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.092945 (E_RNA) where: Base-Base interactions energy: -653.674 where: short stacking energy: -303.962 Base-Backbone interact. energy: -1.284 local terms energy: -292.134481 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -55.993 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -39.095 tors. eta vs tors. theta energy: -83.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -927.100698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.100698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.100698 (E_RNA) where: Base-Base interactions energy: -625.654 where: short stacking energy: -264.029 Base-Backbone interact. energy: -0.873 local terms energy: -300.573199 where: bonds (distance) C4'-P energy: -54.677 bonds (distance) P-C4' energy: -61.606 flat angles C4'-P-C4' energy: -59.246 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -77.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -846.088027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.088027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.088027 (E_RNA) where: Base-Base interactions energy: -564.654 where: short stacking energy: -266.172 Base-Backbone interact. energy: -0.808 local terms energy: -280.625211 where: bonds (distance) C4'-P energy: -57.295 bonds (distance) P-C4' energy: -52.111 flat angles C4'-P-C4' energy: -60.103 flat angles P-C4'-P energy: -36.818 tors. eta vs tors. theta energy: -74.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -821.320990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.320990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.320990 (E_RNA) where: Base-Base interactions energy: -564.727 where: short stacking energy: -236.135 Base-Backbone interact. energy: -1.662 local terms energy: -254.932516 where: bonds (distance) C4'-P energy: -54.209 bonds (distance) P-C4' energy: -43.943 flat angles C4'-P-C4' energy: -56.246 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: -63.724 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: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -792.738791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.738791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.738791 (E_RNA) where: Base-Base interactions energy: -537.386 where: short stacking energy: -247.398 Base-Backbone interact. energy: -1.084 local terms energy: -254.269270 where: bonds (distance) C4'-P energy: -53.595 bonds (distance) P-C4' energy: -43.964 flat angles C4'-P-C4' energy: -59.530 flat angles P-C4'-P energy: -37.129 tors. eta vs tors. theta energy: -60.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -545.322499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.322499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.322499 (E_RNA) where: Base-Base interactions energy: -363.841 where: short stacking energy: -153.329 Base-Backbone interact. energy: 1.385 local terms energy: -182.866638 where: bonds (distance) C4'-P energy: -46.265 bonds (distance) P-C4' energy: -45.545 flat angles C4'-P-C4' energy: -35.426 flat angles P-C4'-P energy: -31.579 tors. eta vs tors. theta energy: -24.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -486.776621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.776621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.776621 (E_RNA) where: Base-Base interactions energy: -277.405 where: short stacking energy: -139.331 Base-Backbone interact. energy: 0.858 local terms energy: -210.229573 where: bonds (distance) C4'-P energy: -47.581 bonds (distance) P-C4' energy: -49.493 flat angles C4'-P-C4' energy: -51.518 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -18.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -366.745578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.745578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.745578 (E_RNA) where: Base-Base interactions energy: -202.166 where: short stacking energy: -97.863 Base-Backbone interact. energy: -0.858 local terms energy: -163.721542 where: bonds (distance) C4'-P energy: -32.709 bonds (distance) P-C4' energy: -56.966 flat angles C4'-P-C4' energy: -36.926 flat angles P-C4'-P energy: -31.940 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1022.332876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.332876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.332876 (E_RNA) where: Base-Base interactions energy: -710.859 where: short stacking energy: -322.908 Base-Backbone interact. energy: -1.638 local terms energy: -309.835897 where: bonds (distance) C4'-P energy: -47.153 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: -93.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1008.820720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.820720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.820720 (E_RNA) where: Base-Base interactions energy: -700.877 where: short stacking energy: -298.739 Base-Backbone interact. energy: 0.612 local terms energy: -308.555251 where: bonds (distance) C4'-P energy: -56.675 bonds (distance) P-C4' energy: -65.798 flat angles C4'-P-C4' energy: -64.056 flat angles P-C4'-P energy: -33.952 tors. eta vs tors. theta energy: -88.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -906.526501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.526501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.526501 (E_RNA) where: Base-Base interactions energy: -613.025 where: short stacking energy: -279.736 Base-Backbone interact. energy: -0.817 local terms energy: -292.684387 where: bonds (distance) C4'-P energy: -52.391 bonds (distance) P-C4' energy: -57.388 flat angles C4'-P-C4' energy: -60.722 flat angles P-C4'-P energy: -41.432 tors. eta vs tors. theta energy: -80.752 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: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -922.998559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.998559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.998559 (E_RNA) where: Base-Base interactions energy: -622.540 where: short stacking energy: -276.290 Base-Backbone interact. energy: -1.044 local terms energy: -299.415064 where: bonds (distance) C4'-P energy: -51.598 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -66.419 flat angles P-C4'-P energy: -43.074 tors. eta vs tors. theta energy: -75.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -863.489930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.489930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.489930 (E_RNA) where: Base-Base interactions energy: -589.564 where: short stacking energy: -246.624 Base-Backbone interact. energy: -4.618 local terms energy: -269.307861 where: bonds (distance) C4'-P energy: -52.241 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -63.488 flat angles P-C4'-P energy: -36.546 tors. eta vs tors. theta energy: -63.664 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: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -810.844489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.844489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.844489 (E_RNA) where: Base-Base interactions energy: -561.142 where: short stacking energy: -246.022 Base-Backbone interact. energy: -2.666 local terms energy: -247.036428 where: bonds (distance) C4'-P energy: -43.454 bonds (distance) P-C4' energy: -50.400 flat angles C4'-P-C4' energy: -55.085 flat angles P-C4'-P energy: -34.846 tors. eta vs tors. theta energy: -63.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -804.173986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.173986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.173986 (E_RNA) where: Base-Base interactions energy: -562.580 where: short stacking energy: -242.963 Base-Backbone interact. energy: 1.476 local terms energy: -243.070146 where: bonds (distance) C4'-P energy: -53.060 bonds (distance) P-C4' energy: -49.271 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -22.065 tors. eta vs tors. theta energy: -59.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -594.284104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.284104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.284104 (E_RNA) where: Base-Base interactions energy: -397.220 where: short stacking energy: -165.538 Base-Backbone interact. energy: -1.140 local terms energy: -195.923643 where: bonds (distance) C4'-P energy: -41.140 bonds (distance) P-C4' energy: -46.565 flat angles C4'-P-C4' energy: -55.725 flat angles P-C4'-P energy: -22.263 tors. eta vs tors. theta energy: -30.230 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: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -432.274452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.274452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.274452 (E_RNA) where: Base-Base interactions energy: -231.697 where: short stacking energy: -100.911 Base-Backbone interact. energy: -1.617 local terms energy: -198.961208 where: bonds (distance) C4'-P energy: -53.384 bonds (distance) P-C4' energy: -48.824 flat angles C4'-P-C4' energy: -54.862 flat angles P-C4'-P energy: -34.510 tors. eta vs tors. theta energy: -7.382 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: 366 Temperature: 1.350000 Total energy: -388.822896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.822896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.822896 (E_RNA) where: Base-Base interactions energy: -195.216 where: short stacking energy: -111.892 Base-Backbone interact. energy: 1.343 local terms energy: -194.950171 where: bonds (distance) C4'-P energy: -48.443 bonds (distance) P-C4' energy: -50.339 flat angles C4'-P-C4' energy: -54.145 flat angles P-C4'-P energy: -33.297 tors. eta vs tors. theta energy: -8.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1009.816654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.816654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.816654 (E_RNA) where: Base-Base interactions energy: -682.417 where: short stacking energy: -307.017 Base-Backbone interact. energy: -0.807 local terms energy: -326.592189 where: bonds (distance) C4'-P energy: -64.171 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -66.288 flat angles P-C4'-P energy: -44.421 tors. eta vs tors. theta energy: -90.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1006.516589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.516589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.516589 (E_RNA) where: Base-Base interactions energy: -700.206 where: short stacking energy: -299.205 Base-Backbone interact. energy: 1.158 local terms energy: -307.468542 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -59.229 flat angles C4'-P-C4' energy: -67.452 flat angles P-C4'-P energy: -42.812 tors. eta vs tors. theta energy: -85.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -925.022352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.022352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.022352 (E_RNA) where: Base-Base interactions energy: -633.839 where: short stacking energy: -280.772 Base-Backbone interact. energy: -2.543 local terms energy: -288.641104 where: bonds (distance) C4'-P energy: -49.637 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -37.844 tors. eta vs tors. theta energy: -80.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -906.682647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.682647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.682647 (E_RNA) where: Base-Base interactions energy: -629.782 where: short stacking energy: -273.376 Base-Backbone interact. energy: -1.426 local terms energy: -275.474895 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -47.468 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -31.354 tors. eta vs tors. theta energy: -82.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -862.238010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.238010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.238010 (E_RNA) where: Base-Base interactions energy: -583.714 where: short stacking energy: -265.797 Base-Backbone interact. energy: -0.576 local terms energy: -277.947710 where: bonds (distance) C4'-P energy: -43.463 bonds (distance) P-C4' energy: -55.609 flat angles C4'-P-C4' energy: -56.265 flat angles P-C4'-P energy: -42.504 tors. eta vs tors. theta energy: -80.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -836.383171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.383171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.383171 (E_RNA) where: Base-Base interactions energy: -567.820 where: short stacking energy: -248.730 Base-Backbone interact. energy: 0.421 local terms energy: -268.984401 where: bonds (distance) C4'-P energy: -49.250 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -51.574 flat angles P-C4'-P energy: -30.204 tors. eta vs tors. theta energy: -77.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -812.562409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.562409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.562409 (E_RNA) where: Base-Base interactions energy: -547.354 where: short stacking energy: -252.356 Base-Backbone interact. energy: -0.011 local terms energy: -265.197535 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -51.886 flat angles C4'-P-C4' energy: -59.714 flat angles P-C4'-P energy: -40.888 tors. eta vs tors. theta energy: -62.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -608.536373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.536373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.536373 (E_RNA) where: Base-Base interactions energy: -384.104 where: short stacking energy: -171.715 Base-Backbone interact. energy: -0.026 local terms energy: -224.406015 where: bonds (distance) C4'-P energy: -43.806 bonds (distance) P-C4' energy: -62.979 flat angles C4'-P-C4' energy: -58.156 flat angles P-C4'-P energy: -28.359 tors. eta vs tors. theta energy: -31.106 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: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -425.313725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.313725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.313725 (E_RNA) where: Base-Base interactions energy: -247.923 where: short stacking energy: -124.970 Base-Backbone interact. energy: -1.232 local terms energy: -176.158852 where: bonds (distance) C4'-P energy: -46.598 bonds (distance) P-C4' energy: -46.155 flat angles C4'-P-C4' energy: -51.237 flat angles P-C4'-P energy: -22.922 tors. eta vs tors. theta energy: -9.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -381.915012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.915012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.915012 (E_RNA) where: Base-Base interactions energy: -218.283 where: short stacking energy: -120.516 Base-Backbone interact. energy: 3.945 local terms energy: -167.577278 where: bonds (distance) C4'-P energy: -33.315 bonds (distance) P-C4' energy: -51.696 flat angles C4'-P-C4' energy: -50.690 flat angles P-C4'-P energy: -25.282 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1042.870673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.870673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.870673 (E_RNA) where: Base-Base interactions energy: -713.914 where: short stacking energy: -302.425 Base-Backbone interact. energy: 0.066 local terms energy: -329.023361 where: bonds (distance) C4'-P energy: -61.955 bonds (distance) P-C4' energy: -58.128 flat angles C4'-P-C4' energy: -72.780 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: -93.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -995.689333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.689333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.689333 (E_RNA) where: Base-Base interactions energy: -683.643 where: short stacking energy: -310.073 Base-Backbone interact. energy: -0.800 local terms energy: -311.246839 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -64.123 flat angles C4'-P-C4' energy: -63.109 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -90.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -939.837165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.837165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.837165 (E_RNA) where: Base-Base interactions energy: -653.395 where: short stacking energy: -277.228 Base-Backbone interact. energy: -2.490 local terms energy: -283.952628 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -55.382 flat angles C4'-P-C4' energy: -56.035 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -76.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -899.319052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.319052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.319052 (E_RNA) where: Base-Base interactions energy: -607.800 where: short stacking energy: -275.202 Base-Backbone interact. energy: -0.922 local terms energy: -290.597330 where: bonds (distance) C4'-P energy: -51.675 bonds (distance) P-C4' energy: -56.376 flat angles C4'-P-C4' energy: -59.774 flat angles P-C4'-P energy: -41.136 tors. eta vs tors. theta energy: -81.636 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: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -888.565578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.565578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.565578 (E_RNA) where: Base-Base interactions energy: -601.969 where: short stacking energy: -271.165 Base-Backbone interact. energy: -0.489 local terms energy: -286.107661 where: bonds (distance) C4'-P energy: -49.480 bonds (distance) P-C4' energy: -56.996 flat angles C4'-P-C4' energy: -59.287 flat angles P-C4'-P energy: -39.560 tors. eta vs tors. theta energy: -80.785 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: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -827.330443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.330443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.330443 (E_RNA) where: Base-Base interactions energy: -563.496 where: short stacking energy: -224.573 Base-Backbone interact. energy: -0.838 local terms energy: -262.995680 where: bonds (distance) C4'-P energy: -45.818 bonds (distance) P-C4' energy: -56.997 flat angles C4'-P-C4' energy: -61.403 flat angles P-C4'-P energy: -39.355 tors. eta vs tors. theta energy: -59.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -756.901397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.901397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.901397 (E_RNA) where: Base-Base interactions energy: -499.395 where: short stacking energy: -211.748 Base-Backbone interact. energy: 0.262 local terms energy: -257.769155 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -58.490 flat angles P-C4'-P energy: -31.789 tors. eta vs tors. theta energy: -50.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -595.098057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.098057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.098057 (E_RNA) where: Base-Base interactions energy: -370.547 where: short stacking energy: -180.208 Base-Backbone interact. energy: 1.373 local terms energy: -225.924075 where: bonds (distance) C4'-P energy: -47.974 bonds (distance) P-C4' energy: -48.095 flat angles C4'-P-C4' energy: -45.809 flat angles P-C4'-P energy: -34.295 tors. eta vs tors. theta energy: -49.750 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: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -383.664289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.664289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.664289 (E_RNA) where: Base-Base interactions energy: -201.073 where: short stacking energy: -105.272 Base-Backbone interact. energy: -1.024 local terms energy: -181.568025 where: bonds (distance) C4'-P energy: -49.804 bonds (distance) P-C4' energy: -49.702 flat angles C4'-P-C4' energy: -48.784 flat angles P-C4'-P energy: -30.424 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -424.753081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.753081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.753081 (E_RNA) where: Base-Base interactions energy: -247.987 where: short stacking energy: -126.502 Base-Backbone interact. energy: -0.347 local terms energy: -176.419355 where: bonds (distance) C4'-P energy: -45.055 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -33.113 flat angles P-C4'-P energy: -20.115 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1048.071828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.071828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.071828 (E_RNA) where: Base-Base interactions energy: -709.653 where: short stacking energy: -316.084 Base-Backbone interact. energy: -2.049 local terms energy: -336.370028 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -68.103 flat angles P-C4'-P energy: -41.267 tors. eta vs tors. theta energy: -94.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -991.724611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.724611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.724611 (E_RNA) where: Base-Base interactions energy: -678.546 where: short stacking energy: -304.345 Base-Backbone interact. energy: -1.055 local terms energy: -312.124214 where: bonds (distance) C4'-P energy: -53.350 bonds (distance) P-C4' energy: -58.066 flat angles C4'-P-C4' energy: -66.579 flat angles P-C4'-P energy: -40.865 tors. eta vs tors. theta energy: -93.265 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: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -978.102773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.102773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.102773 (E_RNA) where: Base-Base interactions energy: -661.710 where: short stacking energy: -293.478 Base-Backbone interact. energy: -0.322 local terms energy: -316.070830 where: bonds (distance) C4'-P energy: -53.586 bonds (distance) P-C4' energy: -51.872 flat angles C4'-P-C4' energy: -69.815 flat angles P-C4'-P energy: -47.485 tors. eta vs tors. theta energy: -93.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -878.231184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.231184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.231184 (E_RNA) where: Base-Base interactions energy: -579.509 where: short stacking energy: -273.770 Base-Backbone interact. energy: -0.353 local terms energy: -298.368794 where: bonds (distance) C4'-P energy: -50.757 bonds (distance) P-C4' energy: -56.967 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -45.674 tors. eta vs tors. theta energy: -79.833 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: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -882.648365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.648365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.648365 (E_RNA) where: Base-Base interactions energy: -593.209 where: short stacking energy: -275.884 Base-Backbone interact. energy: 1.731 local terms energy: -291.170127 where: bonds (distance) C4'-P energy: -54.641 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -56.305 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: -81.434 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: 369 Temperature: 1.150000 Total energy: -841.799995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.799995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.799995 (E_RNA) where: Base-Base interactions energy: -599.284 where: short stacking energy: -249.446 Base-Backbone interact. energy: -1.603 local terms energy: -240.913005 where: bonds (distance) C4'-P energy: -45.985 bonds (distance) P-C4' energy: -47.690 flat angles C4'-P-C4' energy: -54.677 flat angles P-C4'-P energy: -32.775 tors. eta vs tors. theta energy: -59.785 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: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -748.275480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.275480 (E_RNA) where: Base-Base interactions energy: -503.570 where: short stacking energy: -217.444 Base-Backbone interact. energy: 2.718 local terms energy: -247.422978 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -44.990 flat angles C4'-P-C4' energy: -53.497 flat angles P-C4'-P energy: -35.562 tors. eta vs tors. theta energy: -53.851 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: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -525.491756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.491756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.491756 (E_RNA) where: Base-Base interactions energy: -310.625 where: short stacking energy: -148.980 Base-Backbone interact. energy: -1.408 local terms energy: -213.458404 where: bonds (distance) C4'-P energy: -53.531 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -49.075 flat angles P-C4'-P energy: -29.715 tors. eta vs tors. theta energy: -22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -465.527733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.527733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.527733 (E_RNA) where: Base-Base interactions energy: -264.506 where: short stacking energy: -146.509 Base-Backbone interact. energy: 0.924 local terms energy: -201.945446 where: bonds (distance) C4'-P energy: -47.813 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -44.989 flat angles P-C4'-P energy: -32.147 tors. eta vs tors. theta energy: -19.399 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: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -440.551435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.551435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.551435 (E_RNA) where: Base-Base interactions energy: -259.938 where: short stacking energy: -136.705 Base-Backbone interact. energy: -0.796 local terms energy: -179.817768 where: bonds (distance) C4'-P energy: -43.712 bonds (distance) P-C4' energy: -50.833 flat angles C4'-P-C4' energy: -44.415 flat angles P-C4'-P energy: -29.311 tors. eta vs tors. theta energy: -11.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1056.936090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.936090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.936090 (E_RNA) where: Base-Base interactions energy: -730.104 where: short stacking energy: -308.012 Base-Backbone interact. energy: -0.348 local terms energy: -326.484387 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -53.122 flat angles C4'-P-C4' energy: -72.207 flat angles P-C4'-P energy: -53.394 tors. eta vs tors. theta energy: -88.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -998.482442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.482442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.482442 (E_RNA) where: Base-Base interactions energy: -681.554 where: short stacking energy: -310.642 Base-Backbone interact. energy: -0.919 local terms energy: -316.008929 where: bonds (distance) C4'-P energy: -50.655 bonds (distance) P-C4' energy: -56.607 flat angles C4'-P-C4' energy: -67.772 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -89.980 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -959.402843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.402843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.402843 (E_RNA) where: Base-Base interactions energy: -652.186 where: short stacking energy: -297.731 Base-Backbone interact. energy: -1.038 local terms energy: -306.178087 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -52.788 flat angles C4'-P-C4' energy: -65.774 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: -87.392 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: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -872.420263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.420263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.420263 (E_RNA) where: Base-Base interactions energy: -570.850 where: short stacking energy: -275.772 Base-Backbone interact. energy: -1.161 local terms energy: -300.409240 where: bonds (distance) C4'-P energy: -58.773 bonds (distance) P-C4' energy: -56.023 flat angles C4'-P-C4' energy: -63.203 flat angles P-C4'-P energy: -39.669 tors. eta vs tors. theta energy: -82.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -838.460839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.460839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.460839 (E_RNA) where: Base-Base interactions energy: -586.040 where: short stacking energy: -248.317 Base-Backbone interact. energy: -1.061 local terms energy: -251.360250 where: bonds (distance) C4'-P energy: -40.180 bonds (distance) P-C4' energy: -56.212 flat angles C4'-P-C4' energy: -57.890 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -60.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -830.853150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.853150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.853150 (E_RNA) where: Base-Base interactions energy: -559.097 where: short stacking energy: -252.879 Base-Backbone interact. energy: 1.008 local terms energy: -272.764820 where: bonds (distance) C4'-P energy: -55.385 bonds (distance) P-C4' energy: -46.775 flat angles C4'-P-C4' energy: -60.397 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -63.028 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: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -754.596912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.596912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.596912 (E_RNA) where: Base-Base interactions energy: -513.355 where: short stacking energy: -236.887 Base-Backbone interact. energy: -1.167 local terms energy: -240.075126 where: bonds (distance) C4'-P energy: -42.688 bonds (distance) P-C4' energy: -51.388 flat angles C4'-P-C4' energy: -50.055 flat angles P-C4'-P energy: -32.484 tors. eta vs tors. theta energy: -63.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -485.239600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.239600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.239600 (E_RNA) where: Base-Base interactions energy: -298.379 where: short stacking energy: -157.551 Base-Backbone interact. energy: 4.487 local terms energy: -191.347454 where: bonds (distance) C4'-P energy: -55.200 bonds (distance) P-C4' energy: -41.708 flat angles C4'-P-C4' energy: -47.355 flat angles P-C4'-P energy: -21.687 tors. eta vs tors. theta energy: -25.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -462.980740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.980740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.980740 (E_RNA) where: Base-Base interactions energy: -303.264 where: short stacking energy: -148.652 Base-Backbone interact. energy: -0.206 local terms energy: -159.510236 where: bonds (distance) C4'-P energy: -39.199 bonds (distance) P-C4' energy: -32.572 flat angles C4'-P-C4' energy: -46.928 flat angles P-C4'-P energy: -26.314 tors. eta vs tors. theta energy: -14.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -455.528262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.528262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.528262 (E_RNA) where: Base-Base interactions energy: -253.751 where: short stacking energy: -135.662 Base-Backbone interact. energy: 2.635 local terms energy: -204.412457 where: bonds (distance) C4'-P energy: -49.675 bonds (distance) P-C4' energy: -48.131 flat angles C4'-P-C4' energy: -59.170 flat angles P-C4'-P energy: -27.814 tors. eta vs tors. theta energy: -19.622 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: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1030.856639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.856639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.856639 (E_RNA) where: Base-Base interactions energy: -713.486 where: short stacking energy: -299.748 Base-Backbone interact. energy: 0.131 local terms energy: -317.502593 where: bonds (distance) C4'-P energy: -61.934 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -60.644 flat angles P-C4'-P energy: -43.771 tors. eta vs tors. theta energy: -94.266 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: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -970.982897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.982897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.982897 (E_RNA) where: Base-Base interactions energy: -675.886 where: short stacking energy: -299.749 Base-Backbone interact. energy: 1.121 local terms energy: -296.218460 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -53.184 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -35.923 tors. eta vs tors. theta energy: -86.763 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: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -980.026625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.026625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.026625 (E_RNA) where: Base-Base interactions energy: -671.287 where: short stacking energy: -298.904 Base-Backbone interact. energy: -0.973 local terms energy: -307.766850 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -56.274 flat angles C4'-P-C4' energy: -65.223 flat angles P-C4'-P energy: -39.441 tors. eta vs tors. theta energy: -90.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -886.816747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.816747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.816747 (E_RNA) where: Base-Base interactions energy: -610.517 where: short stacking energy: -276.663 Base-Backbone interact. energy: -0.725 local terms energy: -275.575299 where: bonds (distance) C4'-P energy: -46.138 bonds (distance) P-C4' energy: -52.700 flat angles C4'-P-C4' energy: -58.192 flat angles P-C4'-P energy: -42.770 tors. eta vs tors. theta energy: -75.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -868.350749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.350749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.350749 (E_RNA) where: Base-Base interactions energy: -592.760 where: short stacking energy: -263.209 Base-Backbone interact. energy: -1.562 local terms energy: -274.028310 where: bonds (distance) C4'-P energy: -42.616 bonds (distance) P-C4' energy: -48.976 flat angles C4'-P-C4' energy: -58.245 flat angles P-C4'-P energy: -40.267 tors. eta vs tors. theta energy: -83.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -829.680085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.680085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.680085 (E_RNA) where: Base-Base interactions energy: -570.936 where: short stacking energy: -250.723 Base-Backbone interact. energy: -1.407 local terms energy: -257.337272 where: bonds (distance) C4'-P energy: -48.689 bonds (distance) P-C4' energy: -51.279 flat angles C4'-P-C4' energy: -64.905 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: -57.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -793.140673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.140673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.140673 (E_RNA) where: Base-Base interactions energy: -549.428 where: short stacking energy: -258.681 Base-Backbone interact. energy: 0.843 local terms energy: -244.555464 where: bonds (distance) C4'-P energy: -39.550 bonds (distance) P-C4' energy: -52.291 flat angles C4'-P-C4' energy: -57.248 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: -63.614 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: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -475.255118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.255118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.255118 (E_RNA) where: Base-Base interactions energy: -275.753 where: short stacking energy: -154.464 Base-Backbone interact. energy: 4.068 local terms energy: -203.569705 where: bonds (distance) C4'-P energy: -44.855 bonds (distance) P-C4' energy: -42.884 flat angles C4'-P-C4' energy: -51.764 flat angles P-C4'-P energy: -37.819 tors. eta vs tors. theta energy: -26.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -472.123056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.123056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.123056 (E_RNA) where: Base-Base interactions energy: -301.524 where: short stacking energy: -149.453 Base-Backbone interact. energy: -1.084 local terms energy: -169.514615 where: bonds (distance) C4'-P energy: -40.494 bonds (distance) P-C4' energy: -51.403 flat angles C4'-P-C4' energy: -39.926 flat angles P-C4'-P energy: -21.005 tors. eta vs tors. theta energy: -16.687 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: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -467.493437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.493437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.493437 (E_RNA) where: Base-Base interactions energy: -275.604 where: short stacking energy: -126.794 Base-Backbone interact. energy: -0.864 local terms energy: -191.025696 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -46.007 flat angles C4'-P-C4' energy: -37.578 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: -11.174 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: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1056.468317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.468317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.468317 (E_RNA) where: Base-Base interactions energy: -735.623 where: short stacking energy: -313.130 Base-Backbone interact. energy: 0.666 local terms energy: -321.511307 where: bonds (distance) C4'-P energy: -57.316 bonds (distance) P-C4' energy: -68.312 flat angles C4'-P-C4' energy: -63.640 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -91.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -964.879296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.879296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.879296 (E_RNA) where: Base-Base interactions energy: -648.664 where: short stacking energy: -301.278 Base-Backbone interact. energy: -1.377 local terms energy: -314.837946 where: bonds (distance) C4'-P energy: -61.956 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -64.551 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -87.182 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: 372 Temperature: 1.000000 Total energy: -1002.131313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.131313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.131313 (E_RNA) where: Base-Base interactions energy: -690.972 where: short stacking energy: -305.898 Base-Backbone interact. energy: -1.230 local terms energy: -309.929598 where: bonds (distance) C4'-P energy: -54.387 bonds (distance) P-C4' energy: -56.131 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: -91.090 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: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -876.772159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.772159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.772159 (E_RNA) where: Base-Base interactions energy: -586.681 where: short stacking energy: -253.816 Base-Backbone interact. energy: -2.531 local terms energy: -287.560899 where: bonds (distance) C4'-P energy: -52.047 bonds (distance) P-C4' energy: -63.253 flat angles C4'-P-C4' energy: -62.035 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -70.184 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: 372 Temperature: 1.100000 Total energy: -880.433914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.433914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.433914 (E_RNA) where: Base-Base interactions energy: -589.068 where: short stacking energy: -274.734 Base-Backbone interact. energy: -0.926 local terms energy: -290.440350 where: bonds (distance) C4'-P energy: -48.178 bonds (distance) P-C4' energy: -58.609 flat angles C4'-P-C4' energy: -60.910 flat angles P-C4'-P energy: -37.201 tors. eta vs tors. theta energy: -85.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -838.948236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.948236 (E_RNA) where: Base-Base interactions energy: -551.369 where: short stacking energy: -256.224 Base-Backbone interact. energy: 1.401 local terms energy: -288.980592 where: bonds (distance) C4'-P energy: -51.032 bonds (distance) P-C4' energy: -57.878 flat angles C4'-P-C4' energy: -60.533 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -76.102 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: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -767.690742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.690742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.690742 (E_RNA) where: Base-Base interactions energy: -525.308 where: short stacking energy: -227.834 Base-Backbone interact. energy: 0.090 local terms energy: -242.472758 where: bonds (distance) C4'-P energy: -53.110 bonds (distance) P-C4' energy: -53.030 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -19.183 tors. eta vs tors. theta energy: -57.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -462.893146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.893146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.893146 (E_RNA) where: Base-Base interactions energy: -257.855 where: short stacking energy: -158.624 Base-Backbone interact. energy: 0.779 local terms energy: -205.817773 where: bonds (distance) C4'-P energy: -40.870 bonds (distance) P-C4' energy: -50.241 flat angles C4'-P-C4' energy: -44.927 flat angles P-C4'-P energy: -39.702 tors. eta vs tors. theta energy: -30.077 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: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -523.782605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.782605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.782605 (E_RNA) where: Base-Base interactions energy: -327.015 where: short stacking energy: -161.330 Base-Backbone interact. energy: -0.734 local terms energy: -196.034448 where: bonds (distance) C4'-P energy: -51.249 bonds (distance) P-C4' energy: -38.246 flat angles C4'-P-C4' energy: -50.010 flat angles P-C4'-P energy: -28.845 tors. eta vs tors. theta energy: -27.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -407.821621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.821621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.821621 (E_RNA) where: Base-Base interactions energy: -220.440 where: short stacking energy: -98.637 Base-Backbone interact. energy: -1.230 local terms energy: -186.152270 where: bonds (distance) C4'-P energy: -58.942 bonds (distance) P-C4' energy: -48.637 flat angles C4'-P-C4' energy: -50.161 flat angles P-C4'-P energy: -20.505 tors. eta vs tors. theta energy: -7.907 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: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1051.143413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.143413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.143413 (E_RNA) where: Base-Base interactions energy: -712.260 where: short stacking energy: -309.632 Base-Backbone interact. energy: -0.759 local terms energy: -338.124177 where: bonds (distance) C4'-P energy: -64.880 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -69.795 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -91.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1020.027840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.027840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.027840 (E_RNA) where: Base-Base interactions energy: -720.076 where: short stacking energy: -320.028 Base-Backbone interact. energy: 0.847 local terms energy: -300.799195 where: bonds (distance) C4'-P energy: -52.803 bonds (distance) P-C4' energy: -53.962 flat angles C4'-P-C4' energy: -61.023 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: -90.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -945.841624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.841624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.841624 (E_RNA) where: Base-Base interactions energy: -631.891 where: short stacking energy: -299.752 Base-Backbone interact. energy: -0.708 local terms energy: -313.242975 where: bonds (distance) C4'-P energy: -58.605 bonds (distance) P-C4' energy: -46.828 flat angles C4'-P-C4' energy: -71.929 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -86.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -892.892824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.892824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.892824 (E_RNA) where: Base-Base interactions energy: -599.008 where: short stacking energy: -257.012 Base-Backbone interact. energy: -0.807 local terms energy: -293.077623 where: bonds (distance) C4'-P energy: -60.823 bonds (distance) P-C4' energy: -59.879 flat angles C4'-P-C4' energy: -54.618 flat angles P-C4'-P energy: -40.972 tors. eta vs tors. theta energy: -76.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -878.875126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.875126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.875126 (E_RNA) where: Base-Base interactions energy: -594.767 where: short stacking energy: -274.865 Base-Backbone interact. energy: -0.185 local terms energy: -283.923025 where: bonds (distance) C4'-P energy: -48.601 bonds (distance) P-C4' energy: -52.919 flat angles C4'-P-C4' energy: -64.489 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: -76.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -815.667921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.667921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.667921 (E_RNA) where: Base-Base interactions energy: -544.685 where: short stacking energy: -239.625 Base-Backbone interact. energy: 0.508 local terms energy: -271.490944 where: bonds (distance) C4'-P energy: -53.174 bonds (distance) P-C4' energy: -50.415 flat angles C4'-P-C4' energy: -63.425 flat angles P-C4'-P energy: -38.157 tors. eta vs tors. theta energy: -66.320 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: 7 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -771.889862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.889862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.889862 (E_RNA) where: Base-Base interactions energy: -523.788 where: short stacking energy: -220.196 Base-Backbone interact. energy: -0.754 local terms energy: -247.347631 where: bonds (distance) C4'-P energy: -54.742 bonds (distance) P-C4' energy: -56.569 flat angles C4'-P-C4' energy: -52.124 flat angles P-C4'-P energy: -29.111 tors. eta vs tors. theta energy: -54.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -510.185083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.185083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.185083 (E_RNA) where: Base-Base interactions energy: -313.622 where: short stacking energy: -141.975 Base-Backbone interact. energy: -2.154 local terms energy: -194.409139 where: bonds (distance) C4'-P energy: -42.160 bonds (distance) P-C4' energy: -44.817 flat angles C4'-P-C4' energy: -50.070 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: -24.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -440.701637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.701637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.701637 (E_RNA) where: Base-Base interactions energy: -255.343 where: short stacking energy: -132.317 Base-Backbone interact. energy: -1.506 local terms energy: -183.852741 where: bonds (distance) C4'-P energy: -44.251 bonds (distance) P-C4' energy: -52.437 flat angles C4'-P-C4' energy: -36.613 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: -16.082 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: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -418.699128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.699128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.699128 (E_RNA) where: Base-Base interactions energy: -245.278 where: short stacking energy: -104.794 Base-Backbone interact. energy: -1.269 local terms energy: -172.151916 where: bonds (distance) C4'-P energy: -34.070 bonds (distance) P-C4' energy: -63.111 flat angles C4'-P-C4' energy: -39.087 flat angles P-C4'-P energy: -26.771 tors. eta vs tors. theta energy: -9.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1039.156902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.156902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.156902 (E_RNA) where: Base-Base interactions energy: -728.687 where: short stacking energy: -309.930 Base-Backbone interact. energy: 1.353 local terms energy: -311.823238 where: bonds (distance) C4'-P energy: -63.429 bonds (distance) P-C4' energy: -46.316 flat angles C4'-P-C4' energy: -62.912 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -89.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1038.341578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.341578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.341578 (E_RNA) where: Base-Base interactions energy: -726.215 where: short stacking energy: -316.171 Base-Backbone interact. energy: -1.243 local terms energy: -310.882908 where: bonds (distance) C4'-P energy: -53.365 bonds (distance) P-C4' energy: -56.066 flat angles C4'-P-C4' energy: -69.625 flat angles P-C4'-P energy: -38.833 tors. eta vs tors. theta energy: -92.994 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: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -939.318165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.318165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.318165 (E_RNA) where: Base-Base interactions energy: -637.567 where: short stacking energy: -286.860 Base-Backbone interact. energy: -1.719 local terms energy: -300.031717 where: bonds (distance) C4'-P energy: -65.766 bonds (distance) P-C4' energy: -55.455 flat angles C4'-P-C4' energy: -65.431 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -67.075 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: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -906.065733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.065733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.065733 (E_RNA) where: Base-Base interactions energy: -622.439 where: short stacking energy: -258.335 Base-Backbone interact. energy: 0.090 local terms energy: -283.717239 where: bonds (distance) C4'-P energy: -59.373 bonds (distance) P-C4' energy: -53.887 flat angles C4'-P-C4' energy: -61.879 flat angles P-C4'-P energy: -36.363 tors. eta vs tors. theta energy: -72.214 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: 374 Temperature: 1.100000 Total energy: -871.162636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.162636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.162636 (E_RNA) where: Base-Base interactions energy: -581.972 where: short stacking energy: -269.728 Base-Backbone interact. energy: 0.203 local terms energy: -289.393154 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -51.103 flat angles C4'-P-C4' energy: -60.850 flat angles P-C4'-P energy: -40.604 tors. eta vs tors. theta energy: -73.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -820.563285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.563285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.563285 (E_RNA) where: Base-Base interactions energy: -539.320 where: short stacking energy: -231.809 Base-Backbone interact. energy: -1.794 local terms energy: -279.449377 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -53.907 flat angles C4'-P-C4' energy: -59.339 flat angles P-C4'-P energy: -37.201 tors. eta vs tors. theta energy: -68.726 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: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -779.869890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.869890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.869890 (E_RNA) where: Base-Base interactions energy: -508.929 where: short stacking energy: -229.539 Base-Backbone interact. energy: -3.441 local terms energy: -267.500463 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -53.690 flat angles C4'-P-C4' energy: -57.348 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -61.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -499.595303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.595303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.595303 (E_RNA) where: Base-Base interactions energy: -284.190 where: short stacking energy: -164.757 Base-Backbone interact. energy: 0.470 local terms energy: -215.874953 where: bonds (distance) C4'-P energy: -52.430 bonds (distance) P-C4' energy: -52.422 flat angles C4'-P-C4' energy: -49.574 flat angles P-C4'-P energy: -33.922 tors. eta vs tors. theta energy: -27.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -434.385800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.385800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.385800 (E_RNA) where: Base-Base interactions energy: -243.630 where: short stacking energy: -128.303 Base-Backbone interact. energy: -0.777 local terms energy: -189.979292 where: bonds (distance) C4'-P energy: -45.624 bonds (distance) P-C4' energy: -57.824 flat angles C4'-P-C4' energy: -55.309 flat angles P-C4'-P energy: -25.973 tors. eta vs tors. theta energy: -5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -400.727588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.727588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.727588 (E_RNA) where: Base-Base interactions energy: -206.563 where: short stacking energy: -97.650 Base-Backbone interact. energy: 1.499 local terms energy: -195.664332 where: bonds (distance) C4'-P energy: -49.752 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -46.725 flat angles P-C4'-P energy: -37.562 tors. eta vs tors. theta energy: 0.092 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: 375 Temperature: 0.900000 Total energy: -1036.987196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.987196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.987196 (E_RNA) where: Base-Base interactions energy: -711.492 where: short stacking energy: -336.113 Base-Backbone interact. energy: -1.404 local terms energy: -324.090986 where: bonds (distance) C4'-P energy: -52.088 bonds (distance) P-C4' energy: -67.364 flat angles C4'-P-C4' energy: -70.913 flat angles P-C4'-P energy: -40.579 tors. eta vs tors. theta energy: -93.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1038.073077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.073077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.073077 (E_RNA) where: Base-Base interactions energy: -707.359 where: short stacking energy: -300.137 Base-Backbone interact. energy: -0.560 local terms energy: -330.154661 where: bonds (distance) C4'-P energy: -63.815 bonds (distance) P-C4' energy: -59.932 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -45.583 tors. eta vs tors. theta energy: -92.852 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: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -953.202189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.202189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.202189 (E_RNA) where: Base-Base interactions energy: -634.182 where: short stacking energy: -269.699 Base-Backbone interact. energy: -0.386 local terms energy: -318.633773 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -57.578 flat angles C4'-P-C4' energy: -65.007 flat angles P-C4'-P energy: -56.930 tors. eta vs tors. theta energy: -78.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -904.959190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.959190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.959190 (E_RNA) where: Base-Base interactions energy: -617.249 where: short stacking energy: -281.282 Base-Backbone interact. energy: -0.515 local terms energy: -287.195270 where: bonds (distance) C4'-P energy: -51.585 bonds (distance) P-C4' energy: -52.710 flat angles C4'-P-C4' energy: -59.266 flat angles P-C4'-P energy: -39.832 tors. eta vs tors. theta energy: -83.802 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: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -880.627870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.627870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.627870 (E_RNA) where: Base-Base interactions energy: -604.158 where: short stacking energy: -252.869 Base-Backbone interact. energy: 0.584 local terms energy: -277.054002 where: bonds (distance) C4'-P energy: -52.290 bonds (distance) P-C4' energy: -49.781 flat angles C4'-P-C4' energy: -59.693 flat angles P-C4'-P energy: -39.822 tors. eta vs tors. theta energy: -75.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -822.798232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.798232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.798232 (E_RNA) where: Base-Base interactions energy: -557.433 where: short stacking energy: -252.277 Base-Backbone interact. energy: -1.252 local terms energy: -264.113022 where: bonds (distance) C4'-P energy: -46.237 bonds (distance) P-C4' energy: -55.664 flat angles C4'-P-C4' energy: -59.950 flat angles P-C4'-P energy: -33.611 tors. eta vs tors. theta energy: -68.652 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: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -771.207204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.207204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.207204 (E_RNA) where: Base-Base interactions energy: -517.162 where: short stacking energy: -233.686 Base-Backbone interact. energy: -1.987 local terms energy: -252.058084 where: bonds (distance) C4'-P energy: -50.588 bonds (distance) P-C4' energy: -49.290 flat angles C4'-P-C4' energy: -59.955 flat angles P-C4'-P energy: -31.471 tors. eta vs tors. theta energy: -60.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -470.560009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.560009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.560009 (E_RNA) where: Base-Base interactions energy: -278.228 where: short stacking energy: -128.530 Base-Backbone interact. energy: -1.208 local terms energy: -191.124277 where: bonds (distance) C4'-P energy: -46.763 bonds (distance) P-C4' energy: -49.038 flat angles C4'-P-C4' energy: -57.934 flat angles P-C4'-P energy: -33.082 tors. eta vs tors. theta energy: -4.308 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: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -399.588492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.588492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.588492 (E_RNA) where: Base-Base interactions energy: -209.128 where: short stacking energy: -96.821 Base-Backbone interact. energy: 2.953 local terms energy: -193.413375 where: bonds (distance) C4'-P energy: -48.063 bonds (distance) P-C4' energy: -58.130 flat angles C4'-P-C4' energy: -53.511 flat angles P-C4'-P energy: -29.292 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -431.325919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.325919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.325919 (E_RNA) where: Base-Base interactions energy: -238.828 where: short stacking energy: -119.699 Base-Backbone interact. energy: -0.922 local terms energy: -191.576255 where: bonds (distance) C4'-P energy: -43.694 bonds (distance) P-C4' energy: -60.001 flat angles C4'-P-C4' energy: -43.256 flat angles P-C4'-P energy: -26.878 tors. eta vs tors. theta energy: -17.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1052.284856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.284856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.284856 (E_RNA) where: Base-Base interactions energy: -736.569 where: short stacking energy: -318.284 Base-Backbone interact. energy: -0.294 local terms energy: -315.422151 where: bonds (distance) C4'-P energy: -59.880 bonds (distance) P-C4' energy: -57.993 flat angles C4'-P-C4' energy: -64.295 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -90.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1025.450565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.450565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.450565 (E_RNA) where: Base-Base interactions energy: -704.024 where: short stacking energy: -322.914 Base-Backbone interact. energy: 2.040 local terms energy: -323.465998 where: bonds (distance) C4'-P energy: -50.222 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -69.192 flat angles P-C4'-P energy: -49.822 tors. eta vs tors. theta energy: -94.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -932.886448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.886448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.886448 (E_RNA) where: Base-Base interactions energy: -638.636 where: short stacking energy: -279.330 Base-Backbone interact. energy: -0.048 local terms energy: -294.202515 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -47.361 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -47.350 tors. eta vs tors. theta energy: -83.042 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: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -926.074517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.074517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.074517 (E_RNA) where: Base-Base interactions energy: -624.767 where: short stacking energy: -301.196 Base-Backbone interact. energy: -1.898 local terms energy: -299.409484 where: bonds (distance) C4'-P energy: -56.684 bonds (distance) P-C4' energy: -53.691 flat angles C4'-P-C4' energy: -62.415 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -84.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -890.477884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.477884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.477884 (E_RNA) where: Base-Base interactions energy: -621.498 where: short stacking energy: -257.715 Base-Backbone interact. energy: -0.927 local terms energy: -268.052710 where: bonds (distance) C4'-P energy: -55.175 bonds (distance) P-C4' energy: -50.026 flat angles C4'-P-C4' energy: -47.513 flat angles P-C4'-P energy: -41.990 tors. eta vs tors. theta energy: -73.349 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: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -805.689561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.689561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.689561 (E_RNA) where: Base-Base interactions energy: -539.621 where: short stacking energy: -248.845 Base-Backbone interact. energy: -0.473 local terms energy: -265.596369 where: bonds (distance) C4'-P energy: -51.081 bonds (distance) P-C4' energy: -61.034 flat angles C4'-P-C4' energy: -54.182 flat angles P-C4'-P energy: -42.371 tors. eta vs tors. theta energy: -56.928 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: 376 Temperature: 1.200000 Total energy: -766.285588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.285588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.285588 (E_RNA) where: Base-Base interactions energy: -522.262 where: short stacking energy: -215.530 Base-Backbone interact. energy: -0.583 local terms energy: -243.440572 where: bonds (distance) C4'-P energy: -46.837 bonds (distance) P-C4' energy: -49.538 flat angles C4'-P-C4' energy: -55.305 flat angles P-C4'-P energy: -34.101 tors. eta vs tors. theta energy: -57.659 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: 376 Temperature: 1.250000 Total energy: -509.521744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.521744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.521744 (E_RNA) where: Base-Base interactions energy: -289.989 where: short stacking energy: -164.181 Base-Backbone interact. energy: -0.396 local terms energy: -219.137188 where: bonds (distance) C4'-P energy: -46.386 bonds (distance) P-C4' energy: -60.106 flat angles C4'-P-C4' energy: -43.353 flat angles P-C4'-P energy: -32.861 tors. eta vs tors. theta energy: -36.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -434.548230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.548230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.548230 (E_RNA) where: Base-Base interactions energy: -244.472 where: short stacking energy: -130.279 Base-Backbone interact. energy: 0.541 local terms energy: -190.617088 where: bonds (distance) C4'-P energy: -51.245 bonds (distance) P-C4' energy: -60.764 flat angles C4'-P-C4' energy: -40.056 flat angles P-C4'-P energy: -31.103 tors. eta vs tors. theta energy: -7.449 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: 376 Temperature: 1.350000 Total energy: -416.902344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.902344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.902344 (E_RNA) where: Base-Base interactions energy: -221.693 where: short stacking energy: -117.827 Base-Backbone interact. energy: -0.246 local terms energy: -194.962935 where: bonds (distance) C4'-P energy: -51.064 bonds (distance) P-C4' energy: -49.094 flat angles C4'-P-C4' energy: -51.183 flat angles P-C4'-P energy: -26.261 tors. eta vs tors. theta energy: -17.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1046.534821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.534821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.534821 (E_RNA) where: Base-Base interactions energy: -744.424 where: short stacking energy: -313.456 Base-Backbone interact. energy: 0.204 local terms energy: -302.315362 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -55.235 flat angles C4'-P-C4' energy: -69.296 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -89.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1055.611327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.611327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.611327 (E_RNA) where: Base-Base interactions energy: -729.125 where: short stacking energy: -332.284 Base-Backbone interact. energy: -1.954 local terms energy: -324.532288 where: bonds (distance) C4'-P energy: -53.941 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -62.458 flat angles P-C4'-P energy: -52.058 tors. eta vs tors. theta energy: -95.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -951.173354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.173354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.173354 (E_RNA) where: Base-Base interactions energy: -643.355 where: short stacking energy: -283.646 Base-Backbone interact. energy: -1.766 local terms energy: -306.052464 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -52.755 flat angles C4'-P-C4' energy: -65.656 flat angles P-C4'-P energy: -47.549 tors. eta vs tors. theta energy: -84.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -909.980975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.980975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.980975 (E_RNA) where: Base-Base interactions energy: -618.765 where: short stacking energy: -279.318 Base-Backbone interact. energy: -0.476 local terms energy: -290.740382 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -56.806 flat angles C4'-P-C4' energy: -62.080 flat angles P-C4'-P energy: -33.120 tors. eta vs tors. theta energy: -77.828 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: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -892.049541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.049541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.049541 (E_RNA) where: Base-Base interactions energy: -593.318 where: short stacking energy: -269.413 Base-Backbone interact. energy: -3.248 local terms energy: -295.483392 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -51.609 flat angles C4'-P-C4' energy: -65.652 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: -77.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -822.308666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.308666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.308666 (E_RNA) where: Base-Base interactions energy: -541.393 where: short stacking energy: -253.693 Base-Backbone interact. energy: -0.160 local terms energy: -280.755794 where: bonds (distance) C4'-P energy: -52.786 bonds (distance) P-C4' energy: -53.934 flat angles C4'-P-C4' energy: -60.113 flat angles P-C4'-P energy: -44.783 tors. eta vs tors. theta energy: -69.140 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: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -763.585205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.585205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.585205 (E_RNA) where: Base-Base interactions energy: -503.504 where: short stacking energy: -218.806 Base-Backbone interact. energy: -0.353 local terms energy: -259.728950 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -51.420 flat angles C4'-P-C4' energy: -56.690 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: -56.474 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: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -518.620463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.620463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.620463 (E_RNA) where: Base-Base interactions energy: -301.853 where: short stacking energy: -167.967 Base-Backbone interact. energy: 1.493 local terms energy: -218.260164 where: bonds (distance) C4'-P energy: -40.233 bonds (distance) P-C4' energy: -54.355 flat angles C4'-P-C4' energy: -57.538 flat angles P-C4'-P energy: -35.021 tors. eta vs tors. theta energy: -31.114 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: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -413.822819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.822819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.822819 (E_RNA) where: Base-Base interactions energy: -229.257 where: short stacking energy: -113.666 Base-Backbone interact. energy: 0.917 local terms energy: -185.483598 where: bonds (distance) C4'-P energy: -50.388 bonds (distance) P-C4' energy: -49.522 flat angles C4'-P-C4' energy: -46.742 flat angles P-C4'-P energy: -25.577 tors. eta vs tors. theta energy: -13.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -393.082295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.082295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.082295 (E_RNA) where: Base-Base interactions energy: -214.297 where: short stacking energy: -107.788 Base-Backbone interact. energy: 0.345 local terms energy: -179.130668 where: bonds (distance) C4'-P energy: -41.878 bonds (distance) P-C4' energy: -56.024 flat angles C4'-P-C4' energy: -40.757 flat angles P-C4'-P energy: -26.477 tors. eta vs tors. theta energy: -13.994 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: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1079.301384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.301384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.301384 (E_RNA) where: Base-Base interactions energy: -740.663 where: short stacking energy: -332.824 Base-Backbone interact. energy: -1.044 local terms energy: -337.593901 where: bonds (distance) C4'-P energy: -54.471 bonds (distance) P-C4' energy: -56.147 flat angles C4'-P-C4' energy: -73.623 flat angles P-C4'-P energy: -54.719 tors. eta vs tors. theta energy: -98.634 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: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1045.317452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.317452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.317452 (E_RNA) where: Base-Base interactions energy: -726.155 where: short stacking energy: -295.481 Base-Backbone interact. energy: -2.505 local terms energy: -316.657628 where: bonds (distance) C4'-P energy: -62.325 bonds (distance) P-C4' energy: -59.280 flat angles C4'-P-C4' energy: -63.391 flat angles P-C4'-P energy: -49.718 tors. eta vs tors. theta energy: -81.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -923.397787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.397787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.397787 (E_RNA) where: Base-Base interactions energy: -629.048 where: short stacking energy: -297.132 Base-Backbone interact. energy: -0.787 local terms energy: -293.562416 where: bonds (distance) C4'-P energy: -56.541 bonds (distance) P-C4' energy: -59.834 flat angles C4'-P-C4' energy: -56.505 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -78.434 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: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -904.662018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.662018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.662018 (E_RNA) where: Base-Base interactions energy: -619.746 where: short stacking energy: -247.714 Base-Backbone interact. energy: -0.235 local terms energy: -284.681188 where: bonds (distance) C4'-P energy: -55.348 bonds (distance) P-C4' energy: -57.719 flat angles C4'-P-C4' energy: -56.275 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: -70.723 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: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -886.559091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.559091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.559091 (E_RNA) where: Base-Base interactions energy: -603.893 where: short stacking energy: -265.477 Base-Backbone interact. energy: 1.104 local terms energy: -283.769467 where: bonds (distance) C4'-P energy: -49.021 bonds (distance) P-C4' energy: -52.254 flat angles C4'-P-C4' energy: -65.704 flat angles P-C4'-P energy: -35.209 tors. eta vs tors. theta energy: -81.581 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: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -823.203900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.203900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.203900 (E_RNA) where: Base-Base interactions energy: -546.408 where: short stacking energy: -250.463 Base-Backbone interact. energy: -0.668 local terms energy: -276.127496 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -55.975 flat angles C4'-P-C4' energy: -50.088 flat angles P-C4'-P energy: -41.840 tors. eta vs tors. theta energy: -74.271 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: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -767.132308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.132308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.132308 (E_RNA) where: Base-Base interactions energy: -523.955 where: short stacking energy: -233.396 Base-Backbone interact. energy: 2.110 local terms energy: -245.287195 where: bonds (distance) C4'-P energy: -51.964 bonds (distance) P-C4' energy: -45.688 flat angles C4'-P-C4' energy: -53.891 flat angles P-C4'-P energy: -29.893 tors. eta vs tors. theta energy: -63.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -550.220116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.220116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.220116 (E_RNA) where: Base-Base interactions energy: -340.904 where: short stacking energy: -151.240 Base-Backbone interact. energy: -1.202 local terms energy: -208.114054 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -45.508 flat angles C4'-P-C4' energy: -45.019 flat angles P-C4'-P energy: -29.059 tors. eta vs tors. theta energy: -28.997 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: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -397.328064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.328064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.328064 (E_RNA) where: Base-Base interactions energy: -185.286 where: short stacking energy: -115.300 Base-Backbone interact. energy: 0.502 local terms energy: -212.543524 where: bonds (distance) C4'-P energy: -54.302 bonds (distance) P-C4' energy: -58.986 flat angles C4'-P-C4' energy: -45.442 flat angles P-C4'-P energy: -32.454 tors. eta vs tors. theta energy: -21.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -439.614001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.614001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.614001 (E_RNA) where: Base-Base interactions energy: -245.200 where: short stacking energy: -132.517 Base-Backbone interact. energy: 0.247 local terms energy: -194.661401 where: bonds (distance) C4'-P energy: -41.373 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -37.103 flat angles P-C4'-P energy: -33.693 tors. eta vs tors. theta energy: -20.675 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: 379 Temperature: 0.900000 Total energy: -1083.919168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.919168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.919168 (E_RNA) where: Base-Base interactions energy: -745.986 where: short stacking energy: -314.257 Base-Backbone interact. energy: -1.698 local terms energy: -336.235719 where: bonds (distance) C4'-P energy: -60.215 bonds (distance) P-C4' energy: -68.903 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -95.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1012.860304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.860304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.860304 (E_RNA) where: Base-Base interactions energy: -701.806 where: short stacking energy: -301.669 Base-Backbone interact. energy: -1.404 local terms energy: -309.650537 where: bonds (distance) C4'-P energy: -53.526 bonds (distance) P-C4' energy: -64.612 flat angles C4'-P-C4' energy: -62.293 flat angles P-C4'-P energy: -39.608 tors. eta vs tors. theta energy: -89.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -939.391028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.391028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.391028 (E_RNA) where: Base-Base interactions energy: -642.796 where: short stacking energy: -290.130 Base-Backbone interact. energy: 0.475 local terms energy: -297.070141 where: bonds (distance) C4'-P energy: -47.461 bonds (distance) P-C4' energy: -64.128 flat angles C4'-P-C4' energy: -64.261 flat angles P-C4'-P energy: -40.512 tors. eta vs tors. theta energy: -80.707 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: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -898.736725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.736725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.736725 (E_RNA) where: Base-Base interactions energy: -628.549 where: short stacking energy: -258.438 Base-Backbone interact. energy: 0.212 local terms energy: -270.399443 where: bonds (distance) C4'-P energy: -41.150 bonds (distance) P-C4' energy: -54.229 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -42.230 tors. eta vs tors. theta energy: -71.854 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: 379 Temperature: 1.100000 Total energy: -885.946214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.946214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.946214 (E_RNA) where: Base-Base interactions energy: -596.377 where: short stacking energy: -271.406 Base-Backbone interact. energy: -0.843 local terms energy: -288.725770 where: bonds (distance) C4'-P energy: -56.607 bonds (distance) P-C4' energy: -55.421 flat angles C4'-P-C4' energy: -60.640 flat angles P-C4'-P energy: -42.145 tors. eta vs tors. theta energy: -73.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -872.882055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.882055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.882055 (E_RNA) where: Base-Base interactions energy: -596.374 where: short stacking energy: -253.531 Base-Backbone interact. energy: -0.492 local terms energy: -276.016008 where: bonds (distance) C4'-P energy: -48.891 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -58.307 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -77.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -738.358473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.358473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.358473 (E_RNA) where: Base-Base interactions energy: -478.903 where: short stacking energy: -236.368 Base-Backbone interact. energy: -0.680 local terms energy: -258.775327 where: bonds (distance) C4'-P energy: -49.410 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -63.525 flat angles P-C4'-P energy: -21.808 tors. eta vs tors. theta energy: -66.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -616.775484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.775484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.775484 (E_RNA) where: Base-Base interactions energy: -370.216 where: short stacking energy: -198.908 Base-Backbone interact. energy: -1.088 local terms energy: -245.471482 where: bonds (distance) C4'-P energy: -47.952 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -59.870 flat angles P-C4'-P energy: -31.504 tors. eta vs tors. theta energy: -47.729 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: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -419.502580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.502580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.502580 (E_RNA) where: Base-Base interactions energy: -213.975 where: short stacking energy: -131.954 Base-Backbone interact. energy: -1.840 local terms energy: -203.687022 where: bonds (distance) C4'-P energy: -39.040 bonds (distance) P-C4' energy: -56.021 flat angles C4'-P-C4' energy: -58.222 flat angles P-C4'-P energy: -29.999 tors. eta vs tors. theta energy: -20.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -423.456064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.456064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.456064 (E_RNA) where: Base-Base interactions energy: -234.687 where: short stacking energy: -124.394 Base-Backbone interact. energy: 0.103 local terms energy: -188.872308 where: bonds (distance) C4'-P energy: -42.884 bonds (distance) P-C4' energy: -49.581 flat angles C4'-P-C4' energy: -50.526 flat angles P-C4'-P energy: -35.703 tors. eta vs tors. theta energy: -10.178 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: 380 Temperature: 0.900000 Total energy: -1069.330993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.330993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.330993 (E_RNA) where: Base-Base interactions energy: -744.525 where: short stacking energy: -328.175 Base-Backbone interact. energy: -1.971 local terms energy: -322.834221 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -59.424 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -88.917 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: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1029.926372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.926372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.926372 (E_RNA) where: Base-Base interactions energy: -711.463 where: short stacking energy: -301.312 Base-Backbone interact. energy: -1.463 local terms energy: -317.000378 where: bonds (distance) C4'-P energy: -59.898 bonds (distance) P-C4' energy: -53.728 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -91.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -934.224835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.224835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.224835 (E_RNA) where: Base-Base interactions energy: -642.509 where: short stacking energy: -301.085 Base-Backbone interact. energy: 0.405 local terms energy: -292.120857 where: bonds (distance) C4'-P energy: -57.871 bonds (distance) P-C4' energy: -52.426 flat angles C4'-P-C4' energy: -61.015 flat angles P-C4'-P energy: -39.157 tors. eta vs tors. theta energy: -81.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -907.281764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.281764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.281764 (E_RNA) where: Base-Base interactions energy: -649.655 where: short stacking energy: -275.516 Base-Backbone interact. energy: 0.159 local terms energy: -257.786280 where: bonds (distance) C4'-P energy: -43.546 bonds (distance) P-C4' energy: -51.221 flat angles C4'-P-C4' energy: -53.455 flat angles P-C4'-P energy: -35.727 tors. eta vs tors. theta energy: -73.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -880.495823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.495823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.495823 (E_RNA) where: Base-Base interactions energy: -598.094 where: short stacking energy: -284.076 Base-Backbone interact. energy: -0.099 local terms energy: -282.302448 where: bonds (distance) C4'-P energy: -53.563 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -57.007 flat angles P-C4'-P energy: -33.613 tors. eta vs tors. theta energy: -81.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -856.520125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.520125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.520125 (E_RNA) where: Base-Base interactions energy: -583.422 where: short stacking energy: -268.947 Base-Backbone interact. energy: -1.953 local terms energy: -271.144706 where: bonds (distance) C4'-P energy: -68.528 bonds (distance) P-C4' energy: -50.492 flat angles C4'-P-C4' energy: -54.474 flat angles P-C4'-P energy: -20.020 tors. eta vs tors. theta energy: -77.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -748.833183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.833183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.833183 (E_RNA) where: Base-Base interactions energy: -495.032 where: short stacking energy: -232.819 Base-Backbone interact. energy: -1.304 local terms energy: -252.497696 where: bonds (distance) C4'-P energy: -50.846 bonds (distance) P-C4' energy: -47.063 flat angles C4'-P-C4' energy: -52.029 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -62.332 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: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -564.334914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.334914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.334914 (E_RNA) where: Base-Base interactions energy: -373.166 where: short stacking energy: -186.387 Base-Backbone interact. energy: 0.539 local terms energy: -191.708196 where: bonds (distance) C4'-P energy: -42.875 bonds (distance) P-C4' energy: -46.934 flat angles C4'-P-C4' energy: -50.512 flat angles P-C4'-P energy: -22.600 tors. eta vs tors. theta energy: -28.786 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: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -464.564279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.564279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.564279 (E_RNA) where: Base-Base interactions energy: -276.223 where: short stacking energy: -127.426 Base-Backbone interact. energy: -0.207 local terms energy: -188.134244 where: bonds (distance) C4'-P energy: -45.700 bonds (distance) P-C4' energy: -54.536 flat angles C4'-P-C4' energy: -46.368 flat angles P-C4'-P energy: -24.557 tors. eta vs tors. theta energy: -16.973 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: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -342.304020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.304020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.304020 (E_RNA) where: Base-Base interactions energy: -160.098 where: short stacking energy: -93.639 Base-Backbone interact. energy: 0.681 local terms energy: -182.886965 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -53.584 flat angles C4'-P-C4' energy: -52.363 flat angles P-C4'-P energy: -25.168 tors. eta vs tors. theta energy: 0.486 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: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1080.808663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.808663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.808663 (E_RNA) where: Base-Base interactions energy: -755.186 where: short stacking energy: -334.566 Base-Backbone interact. energy: -2.649 local terms energy: -322.973436 where: bonds (distance) C4'-P energy: -60.541 bonds (distance) P-C4' energy: -58.356 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: -96.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1023.630274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.630274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.630274 (E_RNA) where: Base-Base interactions energy: -709.613 where: short stacking energy: -313.459 Base-Backbone interact. energy: 0.209 local terms energy: -314.226182 where: bonds (distance) C4'-P energy: -52.614 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -67.224 flat angles P-C4'-P energy: -43.470 tors. eta vs tors. theta energy: -85.547 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: 381 Temperature: 1.000000 Total energy: -956.727007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.727007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.727007 (E_RNA) where: Base-Base interactions energy: -666.826 where: short stacking energy: -303.523 Base-Backbone interact. energy: -1.733 local terms energy: -288.167828 where: bonds (distance) C4'-P energy: -51.207 bonds (distance) P-C4' energy: -54.983 flat angles C4'-P-C4' energy: -64.572 flat angles P-C4'-P energy: -38.923 tors. eta vs tors. theta energy: -78.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -916.105937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.105937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.105937 (E_RNA) where: Base-Base interactions energy: -617.974 where: short stacking energy: -255.808 Base-Backbone interact. energy: -0.812 local terms energy: -297.319826 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -63.733 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: -74.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -909.978767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.978767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.978767 (E_RNA) where: Base-Base interactions energy: -608.424 where: short stacking energy: -274.923 Base-Backbone interact. energy: -1.513 local terms energy: -300.041568 where: bonds (distance) C4'-P energy: -53.853 bonds (distance) P-C4' energy: -53.981 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -86.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -881.203872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.203872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.203872 (E_RNA) where: Base-Base interactions energy: -603.313 where: short stacking energy: -273.367 Base-Backbone interact. energy: -0.567 local terms energy: -277.324127 where: bonds (distance) C4'-P energy: -56.202 bonds (distance) P-C4' energy: -49.844 flat angles C4'-P-C4' energy: -49.585 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -81.592 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: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -742.801708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.801708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.801708 (E_RNA) where: Base-Base interactions energy: -475.228 where: short stacking energy: -227.048 Base-Backbone interact. energy: 1.089 local terms energy: -268.662841 where: bonds (distance) C4'-P energy: -52.928 bonds (distance) P-C4' energy: -58.334 flat angles C4'-P-C4' energy: -55.207 flat angles P-C4'-P energy: -34.620 tors. eta vs tors. theta energy: -67.574 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: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -554.354052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.354052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.354052 (E_RNA) where: Base-Base interactions energy: -346.304 where: short stacking energy: -161.651 Base-Backbone interact. energy: 1.132 local terms energy: -209.182801 where: bonds (distance) C4'-P energy: -47.156 bonds (distance) P-C4' energy: -51.344 flat angles C4'-P-C4' energy: -46.582 flat angles P-C4'-P energy: -34.407 tors. eta vs tors. theta energy: -29.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -452.040845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.040845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.040845 (E_RNA) where: Base-Base interactions energy: -260.583 where: short stacking energy: -121.399 Base-Backbone interact. energy: -1.009 local terms energy: -190.448525 where: bonds (distance) C4'-P energy: -48.330 bonds (distance) P-C4' energy: -49.858 flat angles C4'-P-C4' energy: -44.872 flat angles P-C4'-P energy: -26.231 tors. eta vs tors. theta energy: -21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -368.954227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.954227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.954227 (E_RNA) where: Base-Base interactions energy: -200.989 where: short stacking energy: -120.383 Base-Backbone interact. energy: -0.951 local terms energy: -167.014804 where: bonds (distance) C4'-P energy: -44.227 bonds (distance) P-C4' energy: -45.170 flat angles C4'-P-C4' energy: -35.356 flat angles P-C4'-P energy: -30.866 tors. eta vs tors. theta energy: -11.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1070.328713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.328713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.328713 (E_RNA) where: Base-Base interactions energy: -758.692 where: short stacking energy: -334.067 Base-Backbone interact. energy: -0.421 local terms energy: -311.216270 where: bonds (distance) C4'-P energy: -56.041 bonds (distance) P-C4' energy: -52.079 flat angles C4'-P-C4' energy: -68.122 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -93.007 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: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1030.566669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.566669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.566669 (E_RNA) where: Base-Base interactions energy: -709.885 where: short stacking energy: -319.014 Base-Backbone interact. energy: -0.215 local terms energy: -320.466068 where: bonds (distance) C4'-P energy: -48.807 bonds (distance) P-C4' energy: -58.616 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: -94.039 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: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -942.407944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.407944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.407944 (E_RNA) where: Base-Base interactions energy: -626.987 where: short stacking energy: -291.463 Base-Backbone interact. energy: -0.916 local terms energy: -314.504480 where: bonds (distance) C4'-P energy: -59.091 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -67.917 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -80.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -907.833383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.833383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.833383 (E_RNA) where: Base-Base interactions energy: -607.626 where: short stacking energy: -264.175 Base-Backbone interact. energy: 1.526 local terms energy: -301.733494 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -50.699 flat angles C4'-P-C4' energy: -67.109 flat angles P-C4'-P energy: -45.058 tors. eta vs tors. theta energy: -74.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -919.064506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.064506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.064506 (E_RNA) where: Base-Base interactions energy: -620.014 where: short stacking energy: -284.490 Base-Backbone interact. energy: -0.210 local terms energy: -298.840319 where: bonds (distance) C4'-P energy: -53.231 bonds (distance) P-C4' energy: -56.221 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -82.588 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: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -872.678186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.678186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.678186 (E_RNA) where: Base-Base interactions energy: -603.649 where: short stacking energy: -261.329 Base-Backbone interact. energy: -0.402 local terms energy: -268.627450 where: bonds (distance) C4'-P energy: -49.076 bonds (distance) P-C4' energy: -44.626 flat angles C4'-P-C4' energy: -63.397 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -62.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -749.899998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.899998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.899998 (E_RNA) where: Base-Base interactions energy: -511.991 where: short stacking energy: -235.599 Base-Backbone interact. energy: 0.912 local terms energy: -238.821145 where: bonds (distance) C4'-P energy: -34.287 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -53.274 flat angles P-C4'-P energy: -33.476 tors. eta vs tors. theta energy: -62.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -572.078209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.078209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.078209 (E_RNA) where: Base-Base interactions energy: -352.970 where: short stacking energy: -164.086 Base-Backbone interact. energy: -1.341 local terms energy: -217.767074 where: bonds (distance) C4'-P energy: -53.679 bonds (distance) P-C4' energy: -53.486 flat angles C4'-P-C4' energy: -51.243 flat angles P-C4'-P energy: -34.857 tors. eta vs tors. theta energy: -24.503 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: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -429.733586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.733586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.733586 (E_RNA) where: Base-Base interactions energy: -232.501 where: short stacking energy: -118.831 Base-Backbone interact. energy: -1.461 local terms energy: -195.771284 where: bonds (distance) C4'-P energy: -46.192 bonds (distance) P-C4' energy: -51.278 flat angles C4'-P-C4' energy: -38.134 flat angles P-C4'-P energy: -32.597 tors. eta vs tors. theta energy: -27.571 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: 382 Temperature: 1.350000 Total energy: -384.717746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.717746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.717746 (E_RNA) where: Base-Base interactions energy: -198.714 where: short stacking energy: -113.591 Base-Backbone interact. energy: 0.620 local terms energy: -186.624042 where: bonds (distance) C4'-P energy: -46.344 bonds (distance) P-C4' energy: -56.340 flat angles C4'-P-C4' energy: -46.521 flat angles P-C4'-P energy: -28.004 tors. eta vs tors. theta energy: -9.416 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: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1083.318883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.318883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.318883 (E_RNA) where: Base-Base interactions energy: -757.638 where: short stacking energy: -325.903 Base-Backbone interact. energy: -0.991 local terms energy: -324.689102 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -52.288 flat angles C4'-P-C4' energy: -67.559 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -93.754 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: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1004.235483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.235483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.235483 (E_RNA) where: Base-Base interactions energy: -701.087 where: short stacking energy: -300.839 Base-Backbone interact. energy: -0.834 local terms energy: -302.314592 where: bonds (distance) C4'-P energy: -48.739 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -63.517 flat angles P-C4'-P energy: -43.967 tors. eta vs tors. theta energy: -87.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -930.759387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.759387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.759387 (E_RNA) where: Base-Base interactions energy: -623.104 where: short stacking energy: -285.358 Base-Backbone interact. energy: -1.437 local terms energy: -306.218385 where: bonds (distance) C4'-P energy: -66.213 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -60.089 flat angles P-C4'-P energy: -45.562 tors. eta vs tors. theta energy: -75.196 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: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -922.453618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.453618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.453618 (E_RNA) where: Base-Base interactions energy: -617.669 where: short stacking energy: -275.090 Base-Backbone interact. energy: -0.144 local terms energy: -304.641333 where: bonds (distance) C4'-P energy: -49.731 bonds (distance) P-C4' energy: -65.150 flat angles C4'-P-C4' energy: -71.866 flat angles P-C4'-P energy: -38.425 tors. eta vs tors. theta energy: -79.470 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: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -922.093141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.093141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.093141 (E_RNA) where: Base-Base interactions energy: -629.852 where: short stacking energy: -276.140 Base-Backbone interact. energy: -0.564 local terms energy: -291.676581 where: bonds (distance) C4'-P energy: -49.418 bonds (distance) P-C4' energy: -55.968 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -40.092 tors. eta vs tors. theta energy: -83.842 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: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -837.049826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.049826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.049826 (E_RNA) where: Base-Base interactions energy: -562.435 where: short stacking energy: -244.029 Base-Backbone interact. energy: -0.115 local terms energy: -274.499788 where: bonds (distance) C4'-P energy: -52.301 bonds (distance) P-C4' energy: -54.519 flat angles C4'-P-C4' energy: -62.272 flat angles P-C4'-P energy: -35.281 tors. eta vs tors. theta energy: -70.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -769.581024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.581024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.581024 (E_RNA) where: Base-Base interactions energy: -511.550 where: short stacking energy: -224.790 Base-Backbone interact. energy: -0.425 local terms energy: -257.606798 where: bonds (distance) C4'-P energy: -41.827 bonds (distance) P-C4' energy: -52.508 flat angles C4'-P-C4' energy: -53.809 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -67.170 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: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -588.388078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.388078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.388078 (E_RNA) where: Base-Base interactions energy: -369.634 where: short stacking energy: -195.447 Base-Backbone interact. energy: -0.538 local terms energy: -218.215715 where: bonds (distance) C4'-P energy: -39.020 bonds (distance) P-C4' energy: -48.665 flat angles C4'-P-C4' energy: -49.282 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: -44.610 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: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -441.259902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.259902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.259902 (E_RNA) where: Base-Base interactions energy: -256.441 where: short stacking energy: -131.372 Base-Backbone interact. energy: -0.518 local terms energy: -184.300837 where: bonds (distance) C4'-P energy: -39.860 bonds (distance) P-C4' energy: -43.832 flat angles C4'-P-C4' energy: -48.463 flat angles P-C4'-P energy: -30.791 tors. eta vs tors. theta energy: -21.354 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: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -438.341369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.341369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.341369 (E_RNA) where: Base-Base interactions energy: -230.864 where: short stacking energy: -142.800 Base-Backbone interact. energy: -1.558 local terms energy: -205.919288 where: bonds (distance) C4'-P energy: -53.862 bonds (distance) P-C4' energy: -53.789 flat angles C4'-P-C4' energy: -51.462 flat angles P-C4'-P energy: -25.719 tors. eta vs tors. theta energy: -21.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1069.591286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.591286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.591286 (E_RNA) where: Base-Base interactions energy: -746.634 where: short stacking energy: -324.670 Base-Backbone interact. energy: -2.314 local terms energy: -320.643344 where: bonds (distance) C4'-P energy: -61.489 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -64.507 flat angles P-C4'-P energy: -45.359 tors. eta vs tors. theta energy: -92.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1010.477745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.477745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.477745 (E_RNA) where: Base-Base interactions energy: -699.012 where: short stacking energy: -296.972 Base-Backbone interact. energy: -0.148 local terms energy: -311.317860 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -61.281 flat angles C4'-P-C4' energy: -64.106 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: -84.721 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: 384 Temperature: 1.000000 Total energy: -952.072090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.072090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.072090 (E_RNA) where: Base-Base interactions energy: -651.075 where: short stacking energy: -296.170 Base-Backbone interact. energy: -0.283 local terms energy: -300.713698 where: bonds (distance) C4'-P energy: -46.103 bonds (distance) P-C4' energy: -64.009 flat angles C4'-P-C4' energy: -62.821 flat angles P-C4'-P energy: -41.559 tors. eta vs tors. theta energy: -86.221 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: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -918.064890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.064890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.064890 (E_RNA) where: Base-Base interactions energy: -626.292 where: short stacking energy: -283.977 Base-Backbone interact. energy: -0.930 local terms energy: -290.843394 where: bonds (distance) C4'-P energy: -59.712 bonds (distance) P-C4' energy: -55.961 flat angles C4'-P-C4' energy: -50.615 flat angles P-C4'-P energy: -41.724 tors. eta vs tors. theta energy: -82.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -931.875765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.875765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.875765 (E_RNA) where: Base-Base interactions energy: -639.930 where: short stacking energy: -288.103 Base-Backbone interact. energy: 0.674 local terms energy: -292.619981 where: bonds (distance) C4'-P energy: -38.521 bonds (distance) P-C4' energy: -55.154 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: -92.773 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: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -840.329638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.329638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.329638 (E_RNA) where: Base-Base interactions energy: -558.678 where: short stacking energy: -250.020 Base-Backbone interact. energy: -0.588 local terms energy: -281.064305 where: bonds (distance) C4'-P energy: -54.048 bonds (distance) P-C4' energy: -59.267 flat angles C4'-P-C4' energy: -60.201 flat angles P-C4'-P energy: -35.128 tors. eta vs tors. theta energy: -72.420 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: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -797.436820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.436820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.436820 (E_RNA) where: Base-Base interactions energy: -536.703 where: short stacking energy: -238.693 Base-Backbone interact. energy: -2.116 local terms energy: -258.617818 where: bonds (distance) C4'-P energy: -51.562 bonds (distance) P-C4' energy: -54.278 flat angles C4'-P-C4' energy: -50.929 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -62.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -574.027406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.027406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.027406 (E_RNA) where: Base-Base interactions energy: -368.541 where: short stacking energy: -171.256 Base-Backbone interact. energy: -0.060 local terms energy: -205.426293 where: bonds (distance) C4'-P energy: -40.173 bonds (distance) P-C4' energy: -40.744 flat angles C4'-P-C4' energy: -48.670 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -32.266 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: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -459.194436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.194436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.194436 (E_RNA) where: Base-Base interactions energy: -291.041 where: short stacking energy: -140.506 Base-Backbone interact. energy: -1.373 local terms energy: -166.779959 where: bonds (distance) C4'-P energy: -40.208 bonds (distance) P-C4' energy: -50.864 flat angles C4'-P-C4' energy: -41.915 flat angles P-C4'-P energy: -19.166 tors. eta vs tors. theta energy: -14.627 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: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -402.804178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.804178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.804178 (E_RNA) where: Base-Base interactions energy: -228.722 where: short stacking energy: -120.178 Base-Backbone interact. energy: 2.476 local terms energy: -176.557667 where: bonds (distance) C4'-P energy: -45.176 bonds (distance) P-C4' energy: -44.462 flat angles C4'-P-C4' energy: -49.289 flat angles P-C4'-P energy: -19.390 tors. eta vs tors. theta energy: -18.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1044.500424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.500424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.500424 (E_RNA) where: Base-Base interactions energy: -715.153 where: short stacking energy: -314.261 Base-Backbone interact. energy: -0.787 local terms energy: -328.560821 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -61.418 flat angles C4'-P-C4' energy: -69.410 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -91.289 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: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1030.419250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.419250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.419250 (E_RNA) where: Base-Base interactions energy: -715.048 where: short stacking energy: -308.212 Base-Backbone interact. energy: -0.943 local terms energy: -314.428250 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -52.136 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -88.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -957.176360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.176360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.176360 (E_RNA) where: Base-Base interactions energy: -664.666 where: short stacking energy: -304.060 Base-Backbone interact. energy: -1.052 local terms energy: -291.458491 where: bonds (distance) C4'-P energy: -50.265 bonds (distance) P-C4' energy: -56.071 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -47.762 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: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -958.385417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.385417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.385417 (E_RNA) where: Base-Base interactions energy: -647.828 where: short stacking energy: -296.075 Base-Backbone interact. energy: -1.387 local terms energy: -309.171093 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -56.889 flat angles C4'-P-C4' energy: -67.377 flat angles P-C4'-P energy: -43.476 tors. eta vs tors. theta energy: -84.855 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: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -879.262757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.262757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.262757 (E_RNA) where: Base-Base interactions energy: -587.407 where: short stacking energy: -246.828 Base-Backbone interact. energy: -0.904 local terms energy: -290.951116 where: bonds (distance) C4'-P energy: -57.457 bonds (distance) P-C4' energy: -51.452 flat angles C4'-P-C4' energy: -61.341 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -73.589 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: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -801.601197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.601197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.601197 (E_RNA) where: Base-Base interactions energy: -533.254 where: short stacking energy: -246.362 Base-Backbone interact. energy: -1.035 local terms energy: -267.311479 where: bonds (distance) C4'-P energy: -50.616 bonds (distance) P-C4' energy: -52.289 flat angles C4'-P-C4' energy: -58.974 flat angles P-C4'-P energy: -35.089 tors. eta vs tors. theta energy: -70.343 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: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -826.573069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.573069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.573069 (E_RNA) where: Base-Base interactions energy: -544.038 where: short stacking energy: -250.834 Base-Backbone interact. energy: 0.647 local terms energy: -283.181837 where: bonds (distance) C4'-P energy: -52.131 bonds (distance) P-C4' energy: -56.881 flat angles C4'-P-C4' energy: -64.174 flat angles P-C4'-P energy: -37.580 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: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -575.466523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.466523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.466523 (E_RNA) where: Base-Base interactions energy: -358.577 where: short stacking energy: -195.162 Base-Backbone interact. energy: -0.485 local terms energy: -216.404640 where: bonds (distance) C4'-P energy: -52.110 bonds (distance) P-C4' energy: -45.721 flat angles C4'-P-C4' energy: -47.972 flat angles P-C4'-P energy: -32.955 tors. eta vs tors. theta energy: -37.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -411.896833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.896833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.896833 (E_RNA) where: Base-Base interactions energy: -232.217 where: short stacking energy: -107.616 Base-Backbone interact. energy: -1.634 local terms energy: -178.045501 where: bonds (distance) C4'-P energy: -49.287 bonds (distance) P-C4' energy: -47.346 flat angles C4'-P-C4' energy: -47.769 flat angles P-C4'-P energy: -28.125 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -418.530106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.530106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.530106 (E_RNA) where: Base-Base interactions energy: -247.204 where: short stacking energy: -133.923 Base-Backbone interact. energy: 0.179 local terms energy: -171.504868 where: bonds (distance) C4'-P energy: -53.164 bonds (distance) P-C4' energy: -38.235 flat angles C4'-P-C4' energy: -57.566 flat angles P-C4'-P energy: -19.749 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1032.671029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.671029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.671029 (E_RNA) where: Base-Base interactions energy: -716.645 where: short stacking energy: -318.933 Base-Backbone interact. energy: -2.270 local terms energy: -313.755987 where: bonds (distance) C4'-P energy: -50.577 bonds (distance) P-C4' energy: -60.453 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -37.612 tors. eta vs tors. theta energy: -95.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1022.865323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.865323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.865323 (E_RNA) where: Base-Base interactions energy: -697.927 where: short stacking energy: -322.446 Base-Backbone interact. energy: -0.732 local terms energy: -324.206312 where: bonds (distance) C4'-P energy: -53.358 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -95.198 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: 386 Temperature: 1.000000 Total energy: -953.038886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.038886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.038886 (E_RNA) where: Base-Base interactions energy: -636.785 where: short stacking energy: -282.928 Base-Backbone interact. energy: -1.316 local terms energy: -314.937990 where: bonds (distance) C4'-P energy: -62.352 bonds (distance) P-C4' energy: -46.288 flat angles C4'-P-C4' energy: -64.405 flat angles P-C4'-P energy: -53.526 tors. eta vs tors. theta energy: -88.367 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: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -928.539616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.539616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.539616 (E_RNA) where: Base-Base interactions energy: -629.022 where: short stacking energy: -283.083 Base-Backbone interact. energy: 2.100 local terms energy: -301.618129 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -56.004 flat angles C4'-P-C4' energy: -61.187 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -84.123 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: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -874.760067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.760067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.760067 (E_RNA) where: Base-Base interactions energy: -591.470 where: short stacking energy: -266.398 Base-Backbone interact. energy: -1.548 local terms energy: -281.742079 where: bonds (distance) C4'-P energy: -54.946 bonds (distance) P-C4' energy: -58.044 flat angles C4'-P-C4' energy: -56.097 flat angles P-C4'-P energy: -32.052 tors. eta vs tors. theta energy: -80.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -830.416221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.416221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.416221 (E_RNA) where: Base-Base interactions energy: -553.735 where: short stacking energy: -249.746 Base-Backbone interact. energy: -1.916 local terms energy: -274.765586 where: bonds (distance) C4'-P energy: -45.589 bonds (distance) P-C4' energy: -61.890 flat angles C4'-P-C4' energy: -62.258 flat angles P-C4'-P energy: -31.285 tors. eta vs tors. theta energy: -73.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -848.916269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.916269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.916269 (E_RNA) where: Base-Base interactions energy: -562.046 where: short stacking energy: -251.546 Base-Backbone interact. energy: 2.007 local terms energy: -288.877208 where: bonds (distance) C4'-P energy: -49.290 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -60.564 flat angles P-C4'-P energy: -39.162 tors. eta vs tors. theta energy: -82.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -573.251060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.251060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.251060 (E_RNA) where: Base-Base interactions energy: -348.447 where: short stacking energy: -191.761 Base-Backbone interact. energy: 2.136 local terms energy: -226.939990 where: bonds (distance) C4'-P energy: -50.144 bonds (distance) P-C4' energy: -48.585 flat angles C4'-P-C4' energy: -60.876 flat angles P-C4'-P energy: -33.033 tors. eta vs tors. theta energy: -34.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -429.650643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.650643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.650643 (E_RNA) where: Base-Base interactions energy: -236.363 where: short stacking energy: -115.124 Base-Backbone interact. energy: -0.096 local terms energy: -193.191324 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -41.306 flat angles P-C4'-P energy: -25.996 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -340.364719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.364719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.364719 (E_RNA) where: Base-Base interactions energy: -167.436 where: short stacking energy: -105.678 Base-Backbone interact. energy: -1.359 local terms energy: -171.570190 where: bonds (distance) C4'-P energy: -52.931 bonds (distance) P-C4' energy: -51.902 flat angles C4'-P-C4' energy: -33.976 flat angles P-C4'-P energy: -29.481 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1042.777449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.777449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.777449 (E_RNA) where: Base-Base interactions energy: -722.743 where: short stacking energy: -307.341 Base-Backbone interact. energy: -0.767 local terms energy: -319.267747 where: bonds (distance) C4'-P energy: -55.347 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -68.618 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -92.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1039.453185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.453185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.453185 (E_RNA) where: Base-Base interactions energy: -730.418 where: short stacking energy: -319.061 Base-Backbone interact. energy: -2.039 local terms energy: -306.996096 where: bonds (distance) C4'-P energy: -50.216 bonds (distance) P-C4' energy: -58.754 flat angles C4'-P-C4' energy: -64.780 flat angles P-C4'-P energy: -40.294 tors. eta vs tors. theta energy: -92.953 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: 387 Temperature: 1.000000 Total energy: -959.415697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.415697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.415697 (E_RNA) where: Base-Base interactions energy: -660.978 where: short stacking energy: -272.173 Base-Backbone interact. energy: -1.404 local terms energy: -297.033567 where: bonds (distance) C4'-P energy: -53.804 bonds (distance) P-C4' energy: -53.999 flat angles C4'-P-C4' energy: -62.386 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: -79.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -919.322756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.322756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.322756 (E_RNA) where: Base-Base interactions energy: -614.392 where: short stacking energy: -294.799 Base-Backbone interact. energy: -0.209 local terms energy: -304.721816 where: bonds (distance) C4'-P energy: -54.409 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -62.851 flat angles P-C4'-P energy: -42.294 tors. eta vs tors. theta energy: -83.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -872.206953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.206953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.206953 (E_RNA) where: Base-Base interactions energy: -599.838 where: short stacking energy: -255.153 Base-Backbone interact. energy: -0.553 local terms energy: -271.815781 where: bonds (distance) C4'-P energy: -55.435 bonds (distance) P-C4' energy: -50.683 flat angles C4'-P-C4' energy: -59.313 flat angles P-C4'-P energy: -36.143 tors. eta vs tors. theta energy: -70.242 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: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -874.363857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.363857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.363857 (E_RNA) where: Base-Base interactions energy: -595.931 where: short stacking energy: -266.843 Base-Backbone interact. energy: 0.806 local terms energy: -279.238903 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -48.154 flat angles C4'-P-C4' energy: -62.504 flat angles P-C4'-P energy: -44.697 tors. eta vs tors. theta energy: -69.134 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: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -768.662176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.662176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.662176 (E_RNA) where: Base-Base interactions energy: -507.732 where: short stacking energy: -220.786 Base-Backbone interact. energy: -1.523 local terms energy: -259.407039 where: bonds (distance) C4'-P energy: -38.500 bonds (distance) P-C4' energy: -60.913 flat angles C4'-P-C4' energy: -62.341 flat angles P-C4'-P energy: -33.717 tors. eta vs tors. theta energy: -63.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -553.747417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.747417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.747417 (E_RNA) where: Base-Base interactions energy: -333.830 where: short stacking energy: -155.850 Base-Backbone interact. energy: -0.381 local terms energy: -219.535727 where: bonds (distance) C4'-P energy: -49.776 bonds (distance) P-C4' energy: -53.466 flat angles C4'-P-C4' energy: -55.898 flat angles P-C4'-P energy: -35.664 tors. eta vs tors. theta energy: -24.732 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: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -447.174940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.174940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.174940 (E_RNA) where: Base-Base interactions energy: -253.141 where: short stacking energy: -133.460 Base-Backbone interact. energy: -1.637 local terms energy: -192.397526 where: bonds (distance) C4'-P energy: -45.211 bonds (distance) P-C4' energy: -55.322 flat angles C4'-P-C4' energy: -38.825 flat angles P-C4'-P energy: -38.825 tors. eta vs tors. theta energy: -14.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -330.802494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.802494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.802494 (E_RNA) where: Base-Base interactions energy: -163.679 where: short stacking energy: -95.641 Base-Backbone interact. energy: 1.310 local terms energy: -168.434143 where: bonds (distance) C4'-P energy: -48.691 bonds (distance) P-C4' energy: -51.708 flat angles C4'-P-C4' energy: -40.963 flat angles P-C4'-P energy: -26.560 tors. eta vs tors. theta energy: -0.512 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: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1068.998218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.998218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.998218 (E_RNA) where: Base-Base interactions energy: -740.786 where: short stacking energy: -312.668 Base-Backbone interact. energy: -1.320 local terms energy: -326.892370 where: bonds (distance) C4'-P energy: -53.046 bonds (distance) P-C4' energy: -70.242 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -42.593 tors. eta vs tors. theta energy: -93.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1022.970853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.970853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.970853 (E_RNA) where: Base-Base interactions energy: -708.005 where: short stacking energy: -306.782 Base-Backbone interact. energy: -1.394 local terms energy: -313.571389 where: bonds (distance) C4'-P energy: -51.751 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -63.495 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -88.022 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: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -974.078513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.078513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.078513 (E_RNA) where: Base-Base interactions energy: -678.794 where: short stacking energy: -276.543 Base-Backbone interact. energy: -0.608 local terms energy: -294.676492 where: bonds (distance) C4'-P energy: -59.286 bonds (distance) P-C4' energy: -61.083 flat angles C4'-P-C4' energy: -62.326 flat angles P-C4'-P energy: -35.460 tors. eta vs tors. theta energy: -76.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -944.981893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.981893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.981893 (E_RNA) where: Base-Base interactions energy: -660.963 where: short stacking energy: -285.840 Base-Backbone interact. energy: -0.543 local terms energy: -283.475519 where: bonds (distance) C4'-P energy: -47.900 bonds (distance) P-C4' energy: -55.924 flat angles C4'-P-C4' energy: -60.359 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -79.020 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: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -889.006767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.006767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.006767 (E_RNA) where: Base-Base interactions energy: -609.001 where: short stacking energy: -271.862 Base-Backbone interact. energy: 0.064 local terms energy: -280.069729 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -54.756 flat angles C4'-P-C4' energy: -57.332 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -72.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -844.124115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.124115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.124115 (E_RNA) where: Base-Base interactions energy: -592.013 where: short stacking energy: -249.846 Base-Backbone interact. energy: -1.810 local terms energy: -250.301688 where: bonds (distance) C4'-P energy: -44.345 bonds (distance) P-C4' energy: -50.553 flat angles C4'-P-C4' energy: -54.517 flat angles P-C4'-P energy: -34.427 tors. eta vs tors. theta energy: -66.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -800.626705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.626705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.626705 (E_RNA) where: Base-Base interactions energy: -536.120 where: short stacking energy: -241.004 Base-Backbone interact. energy: -0.669 local terms energy: -263.838215 where: bonds (distance) C4'-P energy: -53.507 bonds (distance) P-C4' energy: -47.715 flat angles C4'-P-C4' energy: -55.601 flat angles P-C4'-P energy: -42.349 tors. eta vs tors. theta energy: -64.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -568.168518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.168518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.168518 (E_RNA) where: Base-Base interactions energy: -364.551 where: short stacking energy: -173.734 Base-Backbone interact. energy: 2.625 local terms energy: -206.242750 where: bonds (distance) C4'-P energy: -40.835 bonds (distance) P-C4' energy: -42.622 flat angles C4'-P-C4' energy: -60.767 flat angles P-C4'-P energy: -34.792 tors. eta vs tors. theta energy: -27.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -417.670898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.670898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.670898 (E_RNA) where: Base-Base interactions energy: -242.506 where: short stacking energy: -140.775 Base-Backbone interact. energy: -0.566 local terms energy: -174.598634 where: bonds (distance) C4'-P energy: -40.540 bonds (distance) P-C4' energy: -49.695 flat angles C4'-P-C4' energy: -46.355 flat angles P-C4'-P energy: -22.523 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -338.434794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.434794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.434794 (E_RNA) where: Base-Base interactions energy: -156.548 where: short stacking energy: -85.673 Base-Backbone interact. energy: -1.392 local terms energy: -180.493996 where: bonds (distance) C4'-P energy: -46.486 bonds (distance) P-C4' energy: -52.073 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: 0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1071.949011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.949011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.949011 (E_RNA) where: Base-Base interactions energy: -753.156 where: short stacking energy: -309.623 Base-Backbone interact. energy: 0.661 local terms energy: -319.454028 where: bonds (distance) C4'-P energy: -55.092 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -68.433 flat angles P-C4'-P energy: -44.374 tors. eta vs tors. theta energy: -91.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1002.778308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.778308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.778308 (E_RNA) where: Base-Base interactions energy: -702.835 where: short stacking energy: -304.700 Base-Backbone interact. energy: -1.149 local terms energy: -298.794300 where: bonds (distance) C4'-P energy: -54.896 bonds (distance) P-C4' energy: -50.558 flat angles C4'-P-C4' energy: -59.455 flat angles P-C4'-P energy: -43.088 tors. eta vs tors. theta energy: -90.797 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: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -980.842495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.842495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.842495 (E_RNA) where: Base-Base interactions energy: -671.969 where: short stacking energy: -290.419 Base-Backbone interact. energy: -1.013 local terms energy: -307.860931 where: bonds (distance) C4'-P energy: -57.357 bonds (distance) P-C4' energy: -59.376 flat angles C4'-P-C4' energy: -65.748 flat angles P-C4'-P energy: -41.882 tors. eta vs tors. theta energy: -83.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -940.223940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.223940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.223940 (E_RNA) where: Base-Base interactions energy: -656.618 where: short stacking energy: -281.274 Base-Backbone interact. energy: -1.415 local terms energy: -282.191669 where: bonds (distance) C4'-P energy: -53.887 bonds (distance) P-C4' energy: -47.825 flat angles C4'-P-C4' energy: -64.178 flat angles P-C4'-P energy: -35.276 tors. eta vs tors. theta energy: -81.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -896.377002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.377002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.377002 (E_RNA) where: Base-Base interactions energy: -619.377 where: short stacking energy: -261.732 Base-Backbone interact. energy: -0.935 local terms energy: -276.065274 where: bonds (distance) C4'-P energy: -50.178 bonds (distance) P-C4' energy: -53.790 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -71.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -827.884010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.884010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.884010 (E_RNA) where: Base-Base interactions energy: -574.089 where: short stacking energy: -259.820 Base-Backbone interact. energy: -1.581 local terms energy: -252.213950 where: bonds (distance) C4'-P energy: -54.850 bonds (distance) P-C4' energy: -52.512 flat angles C4'-P-C4' energy: -53.311 flat angles P-C4'-P energy: -25.184 tors. eta vs tors. theta energy: -66.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -781.205517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.205517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.205517 (E_RNA) where: Base-Base interactions energy: -530.577 where: short stacking energy: -248.283 Base-Backbone interact. energy: 1.740 local terms energy: -252.368016 where: bonds (distance) C4'-P energy: -53.778 bonds (distance) P-C4' energy: -56.450 flat angles C4'-P-C4' energy: -52.309 flat angles P-C4'-P energy: -23.889 tors. eta vs tors. theta energy: -65.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -566.767951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.767951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.767951 (E_RNA) where: Base-Base interactions energy: -338.333 where: short stacking energy: -172.333 Base-Backbone interact. energy: -1.488 local terms energy: -226.946896 where: bonds (distance) C4'-P energy: -31.645 bonds (distance) P-C4' energy: -54.403 flat angles C4'-P-C4' energy: -54.440 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -43.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -416.943921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.943921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.943921 (E_RNA) where: Base-Base interactions energy: -230.979 where: short stacking energy: -147.475 Base-Backbone interact. energy: 2.458 local terms energy: -188.422551 where: bonds (distance) C4'-P energy: -36.010 bonds (distance) P-C4' energy: -54.759 flat angles C4'-P-C4' energy: -45.393 flat angles P-C4'-P energy: -35.724 tors. eta vs tors. theta energy: -16.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -313.215826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.215826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.215826 (E_RNA) where: Base-Base interactions energy: -138.352 where: short stacking energy: -95.302 Base-Backbone interact. energy: 1.694 local terms energy: -176.558335 where: bonds (distance) C4'-P energy: -40.114 bonds (distance) P-C4' energy: -55.274 flat angles C4'-P-C4' energy: -42.193 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -2.525 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: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1078.813479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.813479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.813479 (E_RNA) where: Base-Base interactions energy: -757.285 where: short stacking energy: -334.477 Base-Backbone interact. energy: 0.039 local terms energy: -321.567777 where: bonds (distance) C4'-P energy: -59.394 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -68.316 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -95.973 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: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1017.830145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.830145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.830145 (E_RNA) where: Base-Base interactions energy: -708.829 where: short stacking energy: -317.471 Base-Backbone interact. energy: 0.597 local terms energy: -309.597690 where: bonds (distance) C4'-P energy: -45.620 bonds (distance) P-C4' energy: -62.161 flat angles C4'-P-C4' energy: -67.350 flat angles P-C4'-P energy: -39.865 tors. eta vs tors. theta energy: -94.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -985.317390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.317390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.317390 (E_RNA) where: Base-Base interactions energy: -675.914 where: short stacking energy: -292.309 Base-Backbone interact. energy: -1.076 local terms energy: -308.327914 where: bonds (distance) C4'-P energy: -51.187 bonds (distance) P-C4' energy: -65.054 flat angles C4'-P-C4' energy: -67.850 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: -83.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -944.642752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.642752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.642752 (E_RNA) where: Base-Base interactions energy: -659.078 where: short stacking energy: -305.848 Base-Backbone interact. energy: -1.078 local terms energy: -284.486954 where: bonds (distance) C4'-P energy: -47.558 bonds (distance) P-C4' energy: -53.492 flat angles C4'-P-C4' energy: -57.651 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -87.550 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: 390 Temperature: 1.100000 Total energy: -901.976851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.976851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.976851 (E_RNA) where: Base-Base interactions energy: -605.580 where: short stacking energy: -265.243 Base-Backbone interact. energy: -0.217 local terms energy: -296.179377 where: bonds (distance) C4'-P energy: -57.537 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -61.881 flat angles P-C4'-P energy: -43.595 tors. eta vs tors. theta energy: -77.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -841.223579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.223579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.223579 (E_RNA) where: Base-Base interactions energy: -576.686 where: short stacking energy: -243.913 Base-Backbone interact. energy: -1.940 local terms energy: -262.597991 where: bonds (distance) C4'-P energy: -43.669 bonds (distance) P-C4' energy: -52.519 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -36.981 tors. eta vs tors. theta energy: -64.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -788.768524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.768524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.768524 (E_RNA) where: Base-Base interactions energy: -530.481 where: short stacking energy: -233.209 Base-Backbone interact. energy: -2.262 local terms energy: -256.025375 where: bonds (distance) C4'-P energy: -46.079 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -57.247 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: -56.980 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: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -544.576567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.576567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.576567 (E_RNA) where: Base-Base interactions energy: -348.359 where: short stacking energy: -169.261 Base-Backbone interact. energy: 0.856 local terms energy: -197.074345 where: bonds (distance) C4'-P energy: -37.755 bonds (distance) P-C4' energy: -51.067 flat angles C4'-P-C4' energy: -48.342 flat angles P-C4'-P energy: -26.156 tors. eta vs tors. theta energy: -33.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -400.158783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.158783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.158783 (E_RNA) where: Base-Base interactions energy: -216.583 where: short stacking energy: -115.395 Base-Backbone interact. energy: -0.840 local terms energy: -182.735784 where: bonds (distance) C4'-P energy: -50.081 bonds (distance) P-C4' energy: -46.820 flat angles C4'-P-C4' energy: -47.330 flat angles P-C4'-P energy: -25.977 tors. eta vs tors. theta energy: -12.528 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: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -321.994112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.994112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.994112 (E_RNA) where: Base-Base interactions energy: -146.841 where: short stacking energy: -92.491 Base-Backbone interact. energy: 0.117 local terms energy: -175.270388 where: bonds (distance) C4'-P energy: -49.967 bonds (distance) P-C4' energy: -52.132 flat angles C4'-P-C4' energy: -43.251 flat angles P-C4'-P energy: -27.561 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1071.861408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.861408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.861408 (E_RNA) where: Base-Base interactions energy: -747.653 where: short stacking energy: -336.134 Base-Backbone interact. energy: -1.893 local terms energy: -322.315977 where: bonds (distance) C4'-P energy: -60.054 bonds (distance) P-C4' energy: -55.921 flat angles C4'-P-C4' energy: -70.052 flat angles P-C4'-P energy: -41.228 tors. eta vs tors. theta energy: -95.060 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: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1024.400966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.400966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.400966 (E_RNA) where: Base-Base interactions energy: -701.874 where: short stacking energy: -313.470 Base-Backbone interact. energy: -1.298 local terms energy: -321.229324 where: bonds (distance) C4'-P energy: -52.217 bonds (distance) P-C4' energy: -65.844 flat angles C4'-P-C4' energy: -62.779 flat angles P-C4'-P energy: -45.738 tors. eta vs tors. theta energy: -94.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -954.171079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.171079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.171079 (E_RNA) where: Base-Base interactions energy: -642.176 where: short stacking energy: -298.743 Base-Backbone interact. energy: -0.391 local terms energy: -311.603670 where: bonds (distance) C4'-P energy: -53.483 bonds (distance) P-C4' energy: -55.153 flat angles C4'-P-C4' energy: -62.451 flat angles P-C4'-P energy: -49.071 tors. eta vs tors. theta energy: -91.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -935.562097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.562097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.562097 (E_RNA) where: Base-Base interactions energy: -629.414 where: short stacking energy: -291.834 Base-Backbone interact. energy: -1.850 local terms energy: -304.298625 where: bonds (distance) C4'-P energy: -53.514 bonds (distance) P-C4' energy: -59.157 flat angles C4'-P-C4' energy: -65.286 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -87.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -903.193987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.193987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.193987 (E_RNA) where: Base-Base interactions energy: -617.048 where: short stacking energy: -288.975 Base-Backbone interact. energy: -0.892 local terms energy: -285.253236 where: bonds (distance) C4'-P energy: -48.286 bonds (distance) P-C4' energy: -50.238 flat angles C4'-P-C4' energy: -61.965 flat angles P-C4'-P energy: -36.387 tors. eta vs tors. theta energy: -88.377 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: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -815.141114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.141114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.141114 (E_RNA) where: Base-Base interactions energy: -550.990 where: short stacking energy: -263.711 Base-Backbone interact. energy: -1.973 local terms energy: -262.178442 where: bonds (distance) C4'-P energy: -50.143 bonds (distance) P-C4' energy: -41.487 flat angles C4'-P-C4' energy: -57.505 flat angles P-C4'-P energy: -45.545 tors. eta vs tors. theta energy: -67.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -808.458303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.458303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.458303 (E_RNA) where: Base-Base interactions energy: -559.687 where: short stacking energy: -237.404 Base-Backbone interact. energy: 0.402 local terms energy: -249.173817 where: bonds (distance) C4'-P energy: -44.584 bonds (distance) P-C4' energy: -49.891 flat angles C4'-P-C4' energy: -57.664 flat angles P-C4'-P energy: -32.419 tors. eta vs tors. theta energy: -64.617 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: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -550.495462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.495462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.495462 (E_RNA) where: Base-Base interactions energy: -365.221 where: short stacking energy: -165.705 Base-Backbone interact. energy: 1.659 local terms energy: -186.933480 where: bonds (distance) C4'-P energy: -38.992 bonds (distance) P-C4' energy: -40.771 flat angles C4'-P-C4' energy: -59.477 flat angles P-C4'-P energy: -26.549 tors. eta vs tors. theta energy: -21.144 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: 391 Temperature: 1.300000 Total energy: -410.415227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.415227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.415227 (E_RNA) where: Base-Base interactions energy: -217.837 where: short stacking energy: -133.930 Base-Backbone interact. energy: 2.433 local terms energy: -195.011780 where: bonds (distance) C4'-P energy: -42.161 bonds (distance) P-C4' energy: -53.952 flat angles C4'-P-C4' energy: -53.044 flat angles P-C4'-P energy: -27.033 tors. eta vs tors. theta energy: -18.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -321.669877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.669877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.669877 (E_RNA) where: Base-Base interactions energy: -152.217 where: short stacking energy: -87.207 Base-Backbone interact. energy: 1.247 local terms energy: -170.700057 where: bonds (distance) C4'-P energy: -46.637 bonds (distance) P-C4' energy: -55.742 flat angles C4'-P-C4' energy: -35.396 flat angles P-C4'-P energy: -28.153 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1065.073130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.073130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.073130 (E_RNA) where: Base-Base interactions energy: -735.159 where: short stacking energy: -314.036 Base-Backbone interact. energy: -3.031 local terms energy: -326.883686 where: bonds (distance) C4'-P energy: -62.047 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -61.637 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -91.501 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: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1011.883707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.883707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.883707 (E_RNA) where: Base-Base interactions energy: -696.091 where: short stacking energy: -307.870 Base-Backbone interact. energy: -1.025 local terms energy: -314.767806 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -52.033 flat angles C4'-P-C4' energy: -65.478 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -89.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -952.327706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.327706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.327706 (E_RNA) where: Base-Base interactions energy: -651.364 where: short stacking energy: -299.417 Base-Backbone interact. energy: -0.926 local terms energy: -300.037906 where: bonds (distance) C4'-P energy: -60.163 bonds (distance) P-C4' energy: -57.452 flat angles C4'-P-C4' energy: -59.949 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -84.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -931.193627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.193627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.193627 (E_RNA) where: Base-Base interactions energy: -616.722 where: short stacking energy: -290.402 Base-Backbone interact. energy: -1.129 local terms energy: -313.342829 where: bonds (distance) C4'-P energy: -55.758 bonds (distance) P-C4' energy: -58.833 flat angles C4'-P-C4' energy: -68.086 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -83.180 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -916.311489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.311489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.311489 (E_RNA) where: Base-Base interactions energy: -625.596 where: short stacking energy: -272.069 Base-Backbone interact. energy: -0.113 local terms energy: -290.602911 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -56.509 flat angles C4'-P-C4' energy: -58.242 flat angles P-C4'-P energy: -32.038 tors. eta vs tors. theta energy: -80.618 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: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -832.731144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.731144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.731144 (E_RNA) where: Base-Base interactions energy: -568.429 where: short stacking energy: -253.032 Base-Backbone interact. energy: -1.081 local terms energy: -263.220901 where: bonds (distance) C4'-P energy: -49.733 bonds (distance) P-C4' energy: -53.707 flat angles C4'-P-C4' energy: -56.966 flat angles P-C4'-P energy: -34.968 tors. eta vs tors. theta energy: -67.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -815.324644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.324644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.324644 (E_RNA) where: Base-Base interactions energy: -556.946 where: short stacking energy: -235.178 Base-Backbone interact. energy: 0.005 local terms energy: -258.383609 where: bonds (distance) C4'-P energy: -57.555 bonds (distance) P-C4' energy: -47.540 flat angles C4'-P-C4' energy: -62.801 flat angles P-C4'-P energy: -32.696 tors. eta vs tors. theta energy: -57.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -580.519208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.519208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.519208 (E_RNA) where: Base-Base interactions energy: -366.479 where: short stacking energy: -182.130 Base-Backbone interact. energy: 2.963 local terms energy: -217.004085 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -53.523 flat angles C4'-P-C4' energy: -42.081 flat angles P-C4'-P energy: -32.202 tors. eta vs tors. theta energy: -34.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -445.018005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.018005 (E_RNA) where: Base-Base interactions energy: -276.231 where: short stacking energy: -144.648 Base-Backbone interact. energy: -1.000 local terms energy: -167.787883 where: bonds (distance) C4'-P energy: -33.681 bonds (distance) P-C4' energy: -45.303 flat angles C4'-P-C4' energy: -48.070 flat angles P-C4'-P energy: -23.732 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -337.707291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.707291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.707291 (E_RNA) where: Base-Base interactions energy: -164.824 where: short stacking energy: -87.234 Base-Backbone interact. energy: 0.620 local terms energy: -173.502982 where: bonds (distance) C4'-P energy: -47.690 bonds (distance) P-C4' energy: -47.821 flat angles C4'-P-C4' energy: -47.205 flat angles P-C4'-P energy: -32.266 tors. eta vs tors. theta energy: 1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1063.377210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.377210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.377210 (E_RNA) where: Base-Base interactions energy: -736.025 where: short stacking energy: -321.929 Base-Backbone interact. energy: -0.824 local terms energy: -326.528328 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -58.601 flat angles C4'-P-C4' energy: -64.954 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -91.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1031.849771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.849771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.849771 (E_RNA) where: Base-Base interactions energy: -714.812 where: short stacking energy: -304.854 Base-Backbone interact. energy: 3.187 local terms energy: -320.224804 where: bonds (distance) C4'-P energy: -60.633 bonds (distance) P-C4' energy: -61.599 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -85.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -964.834464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.834464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.834464 (E_RNA) where: Base-Base interactions energy: -646.516 where: short stacking energy: -295.585 Base-Backbone interact. energy: -1.636 local terms energy: -316.682108 where: bonds (distance) C4'-P energy: -64.526 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -57.112 flat angles P-C4'-P energy: -45.705 tors. eta vs tors. theta energy: -84.310 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: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -934.644873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.644873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.644873 (E_RNA) where: Base-Base interactions energy: -640.804 where: short stacking energy: -299.605 Base-Backbone interact. energy: -1.217 local terms energy: -292.624637 where: bonds (distance) C4'-P energy: -48.654 bonds (distance) P-C4' energy: -62.877 flat angles C4'-P-C4' energy: -53.491 flat angles P-C4'-P energy: -41.537 tors. eta vs tors. theta energy: -86.065 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: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -904.892239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.892239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.892239 (E_RNA) where: Base-Base interactions energy: -615.006 where: short stacking energy: -276.086 Base-Backbone interact. energy: -0.429 local terms energy: -289.457496 where: bonds (distance) C4'-P energy: -50.952 bonds (distance) P-C4' energy: -57.474 flat angles C4'-P-C4' energy: -61.199 flat angles P-C4'-P energy: -35.758 tors. eta vs tors. theta energy: -84.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -815.030489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.030489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.030489 (E_RNA) where: Base-Base interactions energy: -547.860 where: short stacking energy: -263.956 Base-Backbone interact. energy: -1.398 local terms energy: -265.772784 where: bonds (distance) C4'-P energy: -38.361 bonds (distance) P-C4' energy: -52.846 flat angles C4'-P-C4' energy: -58.971 flat angles P-C4'-P energy: -35.562 tors. eta vs tors. theta energy: -80.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -813.243158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.243158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.243158 (E_RNA) where: Base-Base interactions energy: -577.789 where: short stacking energy: -249.644 Base-Backbone interact. energy: -1.118 local terms energy: -234.336529 where: bonds (distance) C4'-P energy: -42.345 bonds (distance) P-C4' energy: -40.126 flat angles C4'-P-C4' energy: -57.939 flat angles P-C4'-P energy: -22.922 tors. eta vs tors. theta energy: -71.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -580.528833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.528833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.528833 (E_RNA) where: Base-Base interactions energy: -345.344 where: short stacking energy: -157.531 Base-Backbone interact. energy: 1.009 local terms energy: -236.193467 where: bonds (distance) C4'-P energy: -40.523 bonds (distance) P-C4' energy: -54.452 flat angles C4'-P-C4' energy: -65.384 flat angles P-C4'-P energy: -33.157 tors. eta vs tors. theta energy: -42.677 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: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -468.501200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.501200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.501200 (E_RNA) where: Base-Base interactions energy: -281.176 where: short stacking energy: -158.323 Base-Backbone interact. energy: -0.898 local terms energy: -186.426710 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -40.036 flat angles C4'-P-C4' energy: -45.026 flat angles P-C4'-P energy: -22.435 tors. eta vs tors. theta energy: -30.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -313.156465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.156465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.156465 (E_RNA) where: Base-Base interactions energy: -159.330 where: short stacking energy: -93.735 Base-Backbone interact. energy: 2.037 local terms energy: -155.863766 where: bonds (distance) C4'-P energy: -29.918 bonds (distance) P-C4' energy: -56.935 flat angles C4'-P-C4' energy: -44.733 flat angles P-C4'-P energy: -25.325 tors. eta vs tors. theta energy: 1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1069.497425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.497425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.497425 (E_RNA) where: Base-Base interactions energy: -755.566 where: short stacking energy: -334.146 Base-Backbone interact. energy: -1.477 local terms energy: -312.454295 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -85.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1020.867887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.867887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.867887 (E_RNA) where: Base-Base interactions energy: -715.351 where: short stacking energy: -299.220 Base-Backbone interact. energy: -0.626 local terms energy: -304.890642 where: bonds (distance) C4'-P energy: -52.116 bonds (distance) P-C4' energy: -53.666 flat angles C4'-P-C4' energy: -67.742 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -88.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -989.153639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.153639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.153639 (E_RNA) where: Base-Base interactions energy: -673.411 where: short stacking energy: -314.343 Base-Backbone interact. energy: -0.307 local terms energy: -315.435324 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -63.293 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: -88.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -973.072079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.072079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.072079 (E_RNA) where: Base-Base interactions energy: -660.550 where: short stacking energy: -295.270 Base-Backbone interact. energy: -1.684 local terms energy: -310.837235 where: bonds (distance) C4'-P energy: -49.455 bonds (distance) P-C4' energy: -63.156 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -40.034 tors. eta vs tors. theta energy: -96.917 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: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -903.961822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.961822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.961822 (E_RNA) where: Base-Base interactions energy: -618.633 where: short stacking energy: -269.995 Base-Backbone interact. energy: -0.430 local terms energy: -284.898443 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -52.995 flat angles P-C4'-P energy: -45.590 tors. eta vs tors. theta energy: -72.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -824.541883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.541883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.541883 (E_RNA) where: Base-Base interactions energy: -544.890 where: short stacking energy: -254.964 Base-Backbone interact. energy: -0.195 local terms energy: -279.456126 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -53.252 flat angles C4'-P-C4' energy: -60.252 flat angles P-C4'-P energy: -33.632 tors. eta vs tors. theta energy: -76.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -815.096980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.096980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.096980 (E_RNA) where: Base-Base interactions energy: -541.765 where: short stacking energy: -230.394 Base-Backbone interact. energy: 0.155 local terms energy: -273.486729 where: bonds (distance) C4'-P energy: -49.543 bonds (distance) P-C4' energy: -57.424 flat angles C4'-P-C4' energy: -57.416 flat angles P-C4'-P energy: -46.594 tors. eta vs tors. theta energy: -62.509 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: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -582.138807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.138807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.138807 (E_RNA) where: Base-Base interactions energy: -353.247 where: short stacking energy: -169.997 Base-Backbone interact. energy: -1.437 local terms energy: -227.455161 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -51.071 flat angles C4'-P-C4' energy: -48.489 flat angles P-C4'-P energy: -35.698 tors. eta vs tors. theta energy: -35.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -470.656199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.656199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.656199 (E_RNA) where: Base-Base interactions energy: -263.827 where: short stacking energy: -136.907 Base-Backbone interact. energy: -1.156 local terms energy: -205.673492 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -56.343 flat angles C4'-P-C4' energy: -38.809 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: -22.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -281.639963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.639963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.639963 (E_RNA) where: Base-Base interactions energy: -128.723 where: short stacking energy: -71.551 Base-Backbone interact. energy: 2.413 local terms energy: -155.330119 where: bonds (distance) C4'-P energy: -50.186 bonds (distance) P-C4' energy: -53.829 flat angles C4'-P-C4' energy: -40.550 flat angles P-C4'-P energy: -16.594 tors. eta vs tors. theta energy: 5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1063.790976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.790976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.790976 (E_RNA) where: Base-Base interactions energy: -740.594 where: short stacking energy: -326.158 Base-Backbone interact. energy: -0.488 local terms energy: -322.709584 where: bonds (distance) C4'-P energy: -58.628 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -66.249 flat angles P-C4'-P energy: -46.645 tors. eta vs tors. theta energy: -87.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1004.894670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.894670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.894670 (E_RNA) where: Base-Base interactions energy: -700.371 where: short stacking energy: -302.917 Base-Backbone interact. energy: -0.541 local terms energy: -303.983187 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -55.221 flat angles C4'-P-C4' energy: -64.914 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -82.583 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: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -994.786187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.786187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.786187 (E_RNA) where: Base-Base interactions energy: -681.886 where: short stacking energy: -287.755 Base-Backbone interact. energy: -1.175 local terms energy: -311.725765 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -61.235 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -41.725 tors. eta vs tors. theta energy: -79.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -961.729190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.729190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.729190 (E_RNA) where: Base-Base interactions energy: -646.017 where: short stacking energy: -288.640 Base-Backbone interact. energy: -0.814 local terms energy: -314.898076 where: bonds (distance) C4'-P energy: -58.053 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -71.938 flat angles P-C4'-P energy: -37.344 tors. eta vs tors. theta energy: -87.574 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: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -893.306118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.306118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.306118 (E_RNA) where: Base-Base interactions energy: -615.727 where: short stacking energy: -277.613 Base-Backbone interact. energy: -0.954 local terms energy: -276.624444 where: bonds (distance) C4'-P energy: -38.626 bonds (distance) P-C4' energy: -57.921 flat angles C4'-P-C4' energy: -58.411 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -84.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -805.044978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.044978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.044978 (E_RNA) where: Base-Base interactions energy: -531.613 where: short stacking energy: -246.577 Base-Backbone interact. energy: -1.504 local terms energy: -271.927620 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -51.502 flat angles C4'-P-C4' energy: -55.165 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -67.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -806.360795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.360795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.360795 (E_RNA) where: Base-Base interactions energy: -564.220 where: short stacking energy: -227.960 Base-Backbone interact. energy: -0.081 local terms energy: -242.060567 where: bonds (distance) C4'-P energy: -37.600 bonds (distance) P-C4' energy: -49.653 flat angles C4'-P-C4' energy: -54.220 flat angles P-C4'-P energy: -39.398 tors. eta vs tors. theta energy: -61.190 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: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -616.594269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.594269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.594269 (E_RNA) where: Base-Base interactions energy: -392.235 where: short stacking energy: -184.474 Base-Backbone interact. energy: 0.976 local terms energy: -225.334984 where: bonds (distance) C4'-P energy: -43.326 bonds (distance) P-C4' energy: -49.671 flat angles C4'-P-C4' energy: -55.695 flat angles P-C4'-P energy: -30.985 tors. eta vs tors. theta energy: -45.658 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: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -476.522052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.522052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.522052 (E_RNA) where: Base-Base interactions energy: -273.299 where: short stacking energy: -163.705 Base-Backbone interact. energy: -0.478 local terms energy: -202.745382 where: bonds (distance) C4'-P energy: -45.387 bonds (distance) P-C4' energy: -49.704 flat angles C4'-P-C4' energy: -45.353 flat angles P-C4'-P energy: -33.067 tors. eta vs tors. theta energy: -29.234 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: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -281.471071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.471071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.471071 (E_RNA) where: Base-Base interactions energy: -116.161 where: short stacking energy: -82.700 Base-Backbone interact. energy: -1.518 local terms energy: -163.792535 where: bonds (distance) C4'-P energy: -41.435 bonds (distance) P-C4' energy: -43.730 flat angles C4'-P-C4' energy: -51.873 flat angles P-C4'-P energy: -29.823 tors. eta vs tors. theta energy: 3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1067.176937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.176937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.176937 (E_RNA) where: Base-Base interactions energy: -744.809 where: short stacking energy: -315.052 Base-Backbone interact. energy: -0.865 local terms energy: -321.502619 where: bonds (distance) C4'-P energy: -64.344 bonds (distance) P-C4' energy: -63.274 flat angles C4'-P-C4' energy: -63.127 flat angles P-C4'-P energy: -40.250 tors. eta vs tors. theta energy: -90.507 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: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1009.881187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.881187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.881187 (E_RNA) where: Base-Base interactions energy: -698.168 where: short stacking energy: -306.441 Base-Backbone interact. energy: -1.896 local terms energy: -309.817629 where: bonds (distance) C4'-P energy: -60.040 bonds (distance) P-C4' energy: -58.588 flat angles C4'-P-C4' energy: -68.002 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: -83.112 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: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -989.785689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.785689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.785689 (E_RNA) where: Base-Base interactions energy: -683.970 where: short stacking energy: -299.571 Base-Backbone interact. energy: -2.964 local terms energy: -302.851811 where: bonds (distance) C4'-P energy: -55.919 bonds (distance) P-C4' energy: -54.278 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -46.032 tors. eta vs tors. theta energy: -84.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -953.209814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.209814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.209814 (E_RNA) where: Base-Base interactions energy: -646.504 where: short stacking energy: -287.702 Base-Backbone interact. energy: -1.427 local terms energy: -305.279210 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -62.075 flat angles C4'-P-C4' energy: -69.310 flat angles P-C4'-P energy: -35.940 tors. eta vs tors. theta energy: -82.714 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: 396 Temperature: 1.100000 Total energy: -900.623802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.623802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.623802 (E_RNA) where: Base-Base interactions energy: -603.526 where: short stacking energy: -264.913 Base-Backbone interact. energy: -0.572 local terms energy: -296.525072 where: bonds (distance) C4'-P energy: -57.982 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -57.672 flat angles P-C4'-P energy: -43.424 tors. eta vs tors. theta energy: -75.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -809.458379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.458379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.458379 (E_RNA) where: Base-Base interactions energy: -557.342 where: short stacking energy: -237.055 Base-Backbone interact. energy: -0.609 local terms energy: -251.507175 where: bonds (distance) C4'-P energy: -43.360 bonds (distance) P-C4' energy: -48.895 flat angles C4'-P-C4' energy: -62.694 flat angles P-C4'-P energy: -34.944 tors. eta vs tors. theta energy: -61.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -773.139171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.139171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.139171 (E_RNA) where: Base-Base interactions energy: -529.704 where: short stacking energy: -247.201 Base-Backbone interact. energy: 0.824 local terms energy: -244.258642 where: bonds (distance) C4'-P energy: -43.247 bonds (distance) P-C4' energy: -46.178 flat angles C4'-P-C4' energy: -52.796 flat angles P-C4'-P energy: -36.163 tors. eta vs tors. theta energy: -65.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -563.561622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.561622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.561622 (E_RNA) where: Base-Base interactions energy: -353.690 where: short stacking energy: -170.658 Base-Backbone interact. energy: -1.074 local terms energy: -208.797721 where: bonds (distance) C4'-P energy: -39.197 bonds (distance) P-C4' energy: -43.607 flat angles C4'-P-C4' energy: -50.258 flat angles P-C4'-P energy: -33.080 tors. eta vs tors. theta energy: -42.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -474.958773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.958773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.958773 (E_RNA) where: Base-Base interactions energy: -261.536 where: short stacking energy: -155.524 Base-Backbone interact. energy: -1.453 local terms energy: -211.969418 where: bonds (distance) C4'-P energy: -50.600 bonds (distance) P-C4' energy: -50.577 flat angles C4'-P-C4' energy: -53.835 flat angles P-C4'-P energy: -27.024 tors. eta vs tors. theta energy: -29.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -263.063809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.063809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.063809 (E_RNA) where: Base-Base interactions energy: -87.374 where: short stacking energy: -62.071 Base-Backbone interact. energy: -1.376 local terms energy: -174.314114 where: bonds (distance) C4'-P energy: -43.045 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -46.256 flat angles P-C4'-P energy: -23.467 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1052.529753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.529753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.529753 (E_RNA) where: Base-Base interactions energy: -734.067 where: short stacking energy: -337.409 Base-Backbone interact. energy: -1.859 local terms energy: -316.603351 where: bonds (distance) C4'-P energy: -56.375 bonds (distance) P-C4' energy: -56.681 flat angles C4'-P-C4' energy: -68.247 flat angles P-C4'-P energy: -38.280 tors. eta vs tors. theta energy: -97.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1021.991323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.991323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.991323 (E_RNA) where: Base-Base interactions energy: -707.522 where: short stacking energy: -303.262 Base-Backbone interact. energy: 0.434 local terms energy: -314.903104 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -54.398 flat angles C4'-P-C4' energy: -68.625 flat angles P-C4'-P energy: -40.455 tors. eta vs tors. theta energy: -91.876 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: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -986.634996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.634996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.634996 (E_RNA) where: Base-Base interactions energy: -668.031 where: short stacking energy: -288.681 Base-Backbone interact. energy: -0.071 local terms energy: -318.532919 where: bonds (distance) C4'-P energy: -48.277 bonds (distance) P-C4' energy: -65.758 flat angles C4'-P-C4' energy: -66.714 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -90.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -954.474013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.474013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.474013 (E_RNA) where: Base-Base interactions energy: -652.098 where: short stacking energy: -301.010 Base-Backbone interact. energy: 2.164 local terms energy: -304.540122 where: bonds (distance) C4'-P energy: -53.468 bonds (distance) P-C4' energy: -49.563 flat angles C4'-P-C4' energy: -67.929 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: -89.827 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: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -903.899987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.899987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.899987 (E_RNA) where: Base-Base interactions energy: -607.729 where: short stacking energy: -278.711 Base-Backbone interact. energy: -0.301 local terms energy: -295.870659 where: bonds (distance) C4'-P energy: -51.621 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -64.268 flat angles P-C4'-P energy: -41.473 tors. eta vs tors. theta energy: -78.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -845.736274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.736274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.736274 (E_RNA) where: Base-Base interactions energy: -581.573 where: short stacking energy: -250.073 Base-Backbone interact. energy: -1.605 local terms energy: -262.558307 where: bonds (distance) C4'-P energy: -42.630 bonds (distance) P-C4' energy: -48.954 flat angles C4'-P-C4' energy: -60.303 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -69.915 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: 397 Temperature: 1.200000 Total energy: -758.057766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.057766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.057766 (E_RNA) where: Base-Base interactions energy: -508.688 where: short stacking energy: -206.888 Base-Backbone interact. energy: -1.419 local terms energy: -247.950423 where: bonds (distance) C4'-P energy: -46.650 bonds (distance) P-C4' energy: -53.077 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -30.910 tors. eta vs tors. theta energy: -57.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -509.326257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.326257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.326257 (E_RNA) where: Base-Base interactions energy: -327.442 where: short stacking energy: -142.659 Base-Backbone interact. energy: -1.486 local terms energy: -180.397889 where: bonds (distance) C4'-P energy: -44.099 bonds (distance) P-C4' energy: -51.015 flat angles C4'-P-C4' energy: -32.665 flat angles P-C4'-P energy: -35.556 tors. eta vs tors. theta energy: -17.064 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: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -520.541098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.541098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.541098 (E_RNA) where: Base-Base interactions energy: -326.082 where: short stacking energy: -156.351 Base-Backbone interact. energy: -0.435 local terms energy: -194.023146 where: bonds (distance) C4'-P energy: -38.320 bonds (distance) P-C4' energy: -41.500 flat angles C4'-P-C4' energy: -54.044 flat angles P-C4'-P energy: -32.000 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: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -259.171103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.171103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.171103 (E_RNA) where: Base-Base interactions energy: -99.641 where: short stacking energy: -68.680 Base-Backbone interact. energy: 0.509 local terms energy: -160.038969 where: bonds (distance) C4'-P energy: -46.078 bonds (distance) P-C4' energy: -36.920 flat angles C4'-P-C4' energy: -44.904 flat angles P-C4'-P energy: -31.718 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1060.812691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.812691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.812691 (E_RNA) where: Base-Base interactions energy: -732.178 where: short stacking energy: -328.338 Base-Backbone interact. energy: -0.415 local terms energy: -328.218869 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -60.011 flat angles C4'-P-C4' energy: -68.325 flat angles P-C4'-P energy: -45.310 tors. eta vs tors. theta energy: -92.659 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: 4 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1015.977183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.977183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.977183 (E_RNA) where: Base-Base interactions energy: -714.612 where: short stacking energy: -309.827 Base-Backbone interact. energy: 1.526 local terms energy: -302.890978 where: bonds (distance) C4'-P energy: -62.885 bonds (distance) P-C4' energy: -52.869 flat angles C4'-P-C4' energy: -60.745 flat angles P-C4'-P energy: -34.055 tors. eta vs tors. theta energy: -92.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -972.139593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.139593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.139593 (E_RNA) where: Base-Base interactions energy: -667.609 where: short stacking energy: -298.354 Base-Backbone interact. energy: -0.912 local terms energy: -303.618496 where: bonds (distance) C4'-P energy: -60.794 bonds (distance) P-C4' energy: -58.430 flat angles C4'-P-C4' energy: -61.487 flat angles P-C4'-P energy: -35.265 tors. eta vs tors. theta energy: -87.643 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: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -994.931610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.931610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.931610 (E_RNA) where: Base-Base interactions energy: -684.415 where: short stacking energy: -308.072 Base-Backbone interact. energy: -0.933 local terms energy: -309.583544 where: bonds (distance) C4'-P energy: -55.574 bonds (distance) P-C4' energy: -59.977 flat angles C4'-P-C4' energy: -55.729 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -92.367 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: 5, replica: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -906.310779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.310779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.310779 (E_RNA) where: Base-Base interactions energy: -604.239 where: short stacking energy: -269.422 Base-Backbone interact. energy: -0.446 local terms energy: -301.625580 where: bonds (distance) C4'-P energy: -54.962 bonds (distance) P-C4' energy: -60.780 flat angles C4'-P-C4' energy: -62.096 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -75.586 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: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -807.745983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.745983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.745983 (E_RNA) where: Base-Base interactions energy: -532.537 where: short stacking energy: -235.232 Base-Backbone interact. energy: -2.011 local terms energy: -273.198216 where: bonds (distance) C4'-P energy: -47.076 bonds (distance) P-C4' energy: -51.924 flat angles C4'-P-C4' energy: -61.986 flat angles P-C4'-P energy: -44.729 tors. eta vs tors. theta energy: -67.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -791.798634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.798634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.798634 (E_RNA) where: Base-Base interactions energy: -528.559 where: short stacking energy: -234.349 Base-Backbone interact. energy: -0.776 local terms energy: -262.463564 where: bonds (distance) C4'-P energy: -42.981 bonds (distance) P-C4' energy: -59.056 flat angles C4'-P-C4' energy: -62.853 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -57.129 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: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -506.603907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.603907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.603907 (E_RNA) where: Base-Base interactions energy: -340.860 where: short stacking energy: -150.066 Base-Backbone interact. energy: 2.402 local terms energy: -168.145410 where: bonds (distance) C4'-P energy: -41.708 bonds (distance) P-C4' energy: -29.706 flat angles C4'-P-C4' energy: -53.170 flat angles P-C4'-P energy: -26.518 tors. eta vs tors. theta energy: -17.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -528.787424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.787424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.787424 (E_RNA) where: Base-Base interactions energy: -353.025 where: short stacking energy: -157.274 Base-Backbone interact. energy: 1.118 local terms energy: -176.880298 where: bonds (distance) C4'-P energy: -44.584 bonds (distance) P-C4' energy: -39.440 flat angles C4'-P-C4' energy: -50.546 flat angles P-C4'-P energy: -19.670 tors. eta vs tors. theta energy: -22.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -266.492497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.492497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.492497 (E_RNA) where: Base-Base interactions energy: -108.740 where: short stacking energy: -95.039 Base-Backbone interact. energy: -0.050 local terms energy: -157.702635 where: bonds (distance) C4'-P energy: -44.837 bonds (distance) P-C4' energy: -55.719 flat angles C4'-P-C4' energy: -42.261 flat angles P-C4'-P energy: -21.950 tors. eta vs tors. theta energy: 7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1062.602721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.602721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.602721 (E_RNA) where: Base-Base interactions energy: -729.696 where: short stacking energy: -316.496 Base-Backbone interact. energy: -1.243 local terms energy: -331.663372 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -63.753 flat angles C4'-P-C4' energy: -66.750 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: -91.125 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: 4 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1023.929071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.929071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.929071 (E_RNA) where: Base-Base interactions energy: -714.536 where: short stacking energy: -305.528 Base-Backbone interact. energy: 0.248 local terms energy: -309.641016 where: bonds (distance) C4'-P energy: -50.111 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -67.412 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -87.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -974.750509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.750509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.750509 (E_RNA) where: Base-Base interactions energy: -671.505 where: short stacking energy: -309.356 Base-Backbone interact. energy: -0.417 local terms energy: -302.828362 where: bonds (distance) C4'-P energy: -50.248 bonds (distance) P-C4' energy: -54.650 flat angles C4'-P-C4' energy: -60.568 flat angles P-C4'-P energy: -42.757 tors. eta vs tors. theta energy: -94.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -925.904446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.904446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.904446 (E_RNA) where: Base-Base interactions energy: -622.337 where: short stacking energy: -272.604 Base-Backbone interact. energy: -0.642 local terms energy: -302.925039 where: bonds (distance) C4'-P energy: -52.076 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -61.340 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: -81.931 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: 5, replica: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -935.035094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.035094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.035094 (E_RNA) where: Base-Base interactions energy: -629.111 where: short stacking energy: -294.318 Base-Backbone interact. energy: -1.423 local terms energy: -304.501059 where: bonds (distance) C4'-P energy: -48.248 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -60.637 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -90.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -800.947827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.947827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.947827 (E_RNA) where: Base-Base interactions energy: -541.247 where: short stacking energy: -244.452 Base-Backbone interact. energy: -0.360 local terms energy: -259.341112 where: bonds (distance) C4'-P energy: -57.480 bonds (distance) P-C4' energy: -51.020 flat angles C4'-P-C4' energy: -47.204 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -64.169 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: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -796.924017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.924017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.924017 (E_RNA) where: Base-Base interactions energy: -530.148 where: short stacking energy: -244.251 Base-Backbone interact. energy: -1.327 local terms energy: -265.448391 where: bonds (distance) C4'-P energy: -46.754 bonds (distance) P-C4' energy: -60.455 flat angles C4'-P-C4' energy: -63.970 flat angles P-C4'-P energy: -32.524 tors. eta vs tors. theta energy: -61.745 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: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -545.504903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.504903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.504903 (E_RNA) where: Base-Base interactions energy: -351.857 where: short stacking energy: -152.026 Base-Backbone interact. energy: -2.183 local terms energy: -191.465029 where: bonds (distance) C4'-P energy: -43.566 bonds (distance) P-C4' energy: -45.059 flat angles C4'-P-C4' energy: -53.759 flat angles P-C4'-P energy: -28.363 tors. eta vs tors. theta energy: -20.718 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: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -529.687351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.687351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.687351 (E_RNA) where: Base-Base interactions energy: -313.152 where: short stacking energy: -156.826 Base-Backbone interact. energy: 0.340 local terms energy: -216.875221 where: bonds (distance) C4'-P energy: -47.422 bonds (distance) P-C4' energy: -64.344 flat angles C4'-P-C4' energy: -53.646 flat angles P-C4'-P energy: -36.078 tors. eta vs tors. theta energy: -15.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -264.151319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.151319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.151319 (E_RNA) where: Base-Base interactions energy: -99.566 where: short stacking energy: -94.287 Base-Backbone interact. energy: -1.148 local terms energy: -163.437746 where: bonds (distance) C4'-P energy: -43.503 bonds (distance) P-C4' energy: -55.325 flat angles C4'-P-C4' energy: -48.293 flat angles P-C4'-P energy: -14.800 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1067.819268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.819268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.819268 (E_RNA) where: Base-Base interactions energy: -746.642 where: short stacking energy: -321.101 Base-Backbone interact. energy: -1.052 local terms energy: -320.124949 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -61.078 flat angles C4'-P-C4' energy: -68.602 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: -91.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1019.845247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.845247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.845247 (E_RNA) where: Base-Base interactions energy: -706.219 where: short stacking energy: -310.834 Base-Backbone interact. energy: -0.271 local terms energy: -313.355019 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -64.268 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -85.767 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -974.768972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.768972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.768972 (E_RNA) where: Base-Base interactions energy: -668.768 where: short stacking energy: -299.367 Base-Backbone interact. energy: 1.694 local terms energy: -307.695118 where: bonds (distance) C4'-P energy: -50.492 bonds (distance) P-C4' energy: -47.567 flat angles C4'-P-C4' energy: -71.922 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -88.727 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -913.548132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.548132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.548132 (E_RNA) where: Base-Base interactions energy: -628.546 where: short stacking energy: -280.750 Base-Backbone interact. energy: -0.680 local terms energy: -284.321813 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -51.964 flat angles C4'-P-C4' energy: -59.674 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -69.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -915.026309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.026309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.026309 (E_RNA) where: Base-Base interactions energy: -620.319 where: short stacking energy: -287.128 Base-Backbone interact. energy: -2.398 local terms energy: -292.309282 where: bonds (distance) C4'-P energy: -55.400 bonds (distance) P-C4' energy: -56.219 flat angles C4'-P-C4' energy: -58.825 flat angles P-C4'-P energy: -36.099 tors. eta vs tors. theta energy: -85.765 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: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -775.714104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.714104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.714104 (E_RNA) where: Base-Base interactions energy: -509.897 where: short stacking energy: -247.244 Base-Backbone interact. energy: -0.175 local terms energy: -265.642202 where: bonds (distance) C4'-P energy: -46.680 bonds (distance) P-C4' energy: -60.662 flat angles C4'-P-C4' energy: -59.903 flat angles P-C4'-P energy: -41.130 tors. eta vs tors. theta energy: -57.267 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: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -794.118683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.118683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.118683 (E_RNA) where: Base-Base interactions energy: -512.290 where: short stacking energy: -223.285 Base-Backbone interact. energy: -1.130 local terms energy: -280.698717 where: bonds (distance) C4'-P energy: -56.830 bonds (distance) P-C4' energy: -57.670 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -40.544 tors. eta vs tors. theta energy: -62.097 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: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -479.325631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.325631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.325631 (E_RNA) where: Base-Base interactions energy: -271.406 where: short stacking energy: -124.325 Base-Backbone interact. energy: -2.079 local terms energy: -205.840742 where: bonds (distance) C4'-P energy: -50.093 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -58.703 flat angles P-C4'-P energy: -25.213 tors. eta vs tors. theta energy: -11.849 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: 9, replica: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -513.471492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.471492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.471492 (E_RNA) where: Base-Base interactions energy: -310.320 where: short stacking energy: -137.989 Base-Backbone interact. energy: -3.056 local terms energy: -200.095491 where: bonds (distance) C4'-P energy: -52.201 bonds (distance) P-C4' energy: -49.506 flat angles C4'-P-C4' energy: -57.571 flat angles P-C4'-P energy: -22.498 tors. eta vs tors. theta energy: -18.320 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: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -290.589029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.589029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.589029 (E_RNA) where: Base-Base interactions energy: -134.247 where: short stacking energy: -108.673 Base-Backbone interact. energy: -0.339 local terms energy: -156.002469 where: bonds (distance) C4'-P energy: -45.606 bonds (distance) P-C4' energy: -50.548 flat angles C4'-P-C4' energy: -31.349 flat angles P-C4'-P energy: -19.305 tors. eta vs tors. theta energy: -9.195 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: 1, replica: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1073.195196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.195196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.195196 (E_RNA) where: Base-Base interactions energy: -749.343 where: short stacking energy: -329.471 Base-Backbone interact. energy: -1.043 local terms energy: -322.809980 where: bonds (distance) C4'-P energy: -57.993 bonds (distance) P-C4' energy: -56.793 flat angles C4'-P-C4' energy: -67.992 flat angles P-C4'-P energy: -48.125 tors. eta vs tors. theta energy: -91.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -989.074976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.074976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.074976 (E_RNA) where: Base-Base interactions energy: -670.457 where: short stacking energy: -297.036 Base-Backbone interact. energy: 0.931 local terms energy: -319.549061 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -56.169 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: -87.544 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: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -981.908369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.908369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.908369 (E_RNA) where: Base-Base interactions energy: -700.059 where: short stacking energy: -296.181 Base-Backbone interact. energy: -1.223 local terms energy: -280.625988 where: bonds (distance) C4'-P energy: -46.996 bonds (distance) P-C4' energy: -51.439 flat angles C4'-P-C4' energy: -62.810 flat angles P-C4'-P energy: -28.075 tors. eta vs tors. theta energy: -91.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -927.676484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.676484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.676484 (E_RNA) where: Base-Base interactions energy: -609.916 where: short stacking energy: -268.120 Base-Backbone interact. energy: -1.140 local terms energy: -316.621392 where: bonds (distance) C4'-P energy: -61.223 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -63.306 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -84.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -919.757565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.757565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.757565 (E_RNA) where: Base-Base interactions energy: -630.130 where: short stacking energy: -292.261 Base-Backbone interact. energy: 0.081 local terms energy: -289.708780 where: bonds (distance) C4'-P energy: -56.012 bonds (distance) P-C4' energy: -48.367 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -39.573 tors. eta vs tors. theta energy: -80.363 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: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -815.056272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.056272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.056272 (E_RNA) where: Base-Base interactions energy: -537.300 where: short stacking energy: -256.816 Base-Backbone interact. energy: -0.272 local terms energy: -277.484008 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -59.490 flat angles C4'-P-C4' energy: -51.910 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -71.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -808.245275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.245275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.245275 (E_RNA) where: Base-Base interactions energy: -562.531 where: short stacking energy: -237.500 Base-Backbone interact. energy: -0.765 local terms energy: -244.949824 where: bonds (distance) C4'-P energy: -47.643 bonds (distance) P-C4' energy: -53.463 flat angles C4'-P-C4' energy: -50.492 flat angles P-C4'-P energy: -30.739 tors. eta vs tors. theta energy: -62.612 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: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -537.324800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.324800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.324800 (E_RNA) where: Base-Base interactions energy: -328.140 where: short stacking energy: -153.788 Base-Backbone interact. energy: 0.836 local terms energy: -210.020507 where: bonds (distance) C4'-P energy: -40.966 bonds (distance) P-C4' energy: -62.681 flat angles C4'-P-C4' energy: -45.682 flat angles P-C4'-P energy: -30.083 tors. eta vs tors. theta energy: -30.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -424.475067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.475067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.475067 (E_RNA) where: Base-Base interactions energy: -213.589 where: short stacking energy: -113.869 Base-Backbone interact. energy: 0.920 local terms energy: -211.805357 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -58.696 flat angles C4'-P-C4' energy: -46.587 flat angles P-C4'-P energy: -32.253 tors. eta vs tors. theta energy: -19.610 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: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -313.758138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.758138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.758138 (E_RNA) where: Base-Base interactions energy: -149.676 where: short stacking energy: -81.731 Base-Backbone interact. energy: 2.407 local terms energy: -166.489335 where: bonds (distance) C4'-P energy: -38.605 bonds (distance) P-C4' energy: -49.911 flat angles C4'-P-C4' energy: -44.268 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1078.093103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.093103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.093103 (E_RNA) where: Base-Base interactions energy: -760.011 where: short stacking energy: -323.143 Base-Backbone interact. energy: -0.366 local terms energy: -317.716388 where: bonds (distance) C4'-P energy: -53.707 bonds (distance) P-C4' energy: -57.551 flat angles C4'-P-C4' energy: -69.502 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: -87.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -986.171348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.171348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.171348 (E_RNA) where: Base-Base interactions energy: -684.262 where: short stacking energy: -313.959 Base-Backbone interact. energy: -0.108 local terms energy: -301.801440 where: bonds (distance) C4'-P energy: -55.182 bonds (distance) P-C4' energy: -46.017 flat angles C4'-P-C4' energy: -65.137 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: -93.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -948.963685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.963685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.963685 (E_RNA) where: Base-Base interactions energy: -645.429 where: short stacking energy: -293.255 Base-Backbone interact. energy: -0.197 local terms energy: -303.337714 where: bonds (distance) C4'-P energy: -57.922 bonds (distance) P-C4' energy: -58.810 flat angles C4'-P-C4' energy: -59.626 flat angles P-C4'-P energy: -40.395 tors. eta vs tors. theta energy: -86.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -969.988283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.988283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.988283 (E_RNA) where: Base-Base interactions energy: -670.550 where: short stacking energy: -273.645 Base-Backbone interact. energy: -0.192 local terms energy: -299.246281 where: bonds (distance) C4'-P energy: -60.198 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -57.275 flat angles P-C4'-P energy: -45.935 tors. eta vs tors. theta energy: -82.917 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: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -819.163577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.163577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.163577 (E_RNA) where: Base-Base interactions energy: -552.667 where: short stacking energy: -253.224 Base-Backbone interact. energy: -1.278 local terms energy: -265.218598 where: bonds (distance) C4'-P energy: -46.966 bonds (distance) P-C4' energy: -47.065 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -39.112 tors. eta vs tors. theta energy: -74.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -865.888765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.888765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.888765 (E_RNA) where: Base-Base interactions energy: -586.198 where: short stacking energy: -278.312 Base-Backbone interact. energy: -1.172 local terms energy: -278.518680 where: bonds (distance) C4'-P energy: -45.209 bonds (distance) P-C4' energy: -48.696 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -80.453 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: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -781.109736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.109736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.109736 (E_RNA) where: Base-Base interactions energy: -541.530 where: short stacking energy: -239.883 Base-Backbone interact. energy: 1.245 local terms energy: -240.824637 where: bonds (distance) C4'-P energy: -39.084 bonds (distance) P-C4' energy: -48.752 flat angles C4'-P-C4' energy: -58.699 flat angles P-C4'-P energy: -38.376 tors. eta vs tors. theta energy: -55.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -551.332103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.332103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.332103 (E_RNA) where: Base-Base interactions energy: -340.287 where: short stacking energy: -148.641 Base-Backbone interact. energy: 0.227 local terms energy: -211.271205 where: bonds (distance) C4'-P energy: -39.851 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -53.412 flat angles P-C4'-P energy: -39.927 tors. eta vs tors. theta energy: -19.426 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: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -412.918772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.918772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.918772 (E_RNA) where: Base-Base interactions energy: -220.502 where: short stacking energy: -115.164 Base-Backbone interact. energy: -0.430 local terms energy: -191.986563 where: bonds (distance) C4'-P energy: -47.524 bonds (distance) P-C4' energy: -50.731 flat angles C4'-P-C4' energy: -51.795 flat angles P-C4'-P energy: -25.937 tors. eta vs tors. theta energy: -16.000 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: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -258.991070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.991070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.991070 (E_RNA) where: Base-Base interactions energy: -113.095 where: short stacking energy: -87.657 Base-Backbone interact. energy: -0.272 local terms energy: -145.624515 where: bonds (distance) C4'-P energy: -43.098 bonds (distance) P-C4' energy: -59.320 flat angles C4'-P-C4' energy: -26.801 flat angles P-C4'-P energy: -28.175 tors. eta vs tors. theta energy: 11.769 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: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1057.873175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.873175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.873175 (E_RNA) where: Base-Base interactions energy: -729.875 where: short stacking energy: -326.345 Base-Backbone interact. energy: -1.399 local terms energy: -326.599069 where: bonds (distance) C4'-P energy: -53.708 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -41.322 tors. eta vs tors. theta energy: -97.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -980.601286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.601286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.601286 (E_RNA) where: Base-Base interactions energy: -663.214 where: short stacking energy: -308.090 Base-Backbone interact. energy: 0.594 local terms energy: -317.981730 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -88.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -953.145216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.145216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.145216 (E_RNA) where: Base-Base interactions energy: -659.076 where: short stacking energy: -307.609 Base-Backbone interact. energy: -0.419 local terms energy: -293.649960 where: bonds (distance) C4'-P energy: -49.686 bonds (distance) P-C4' energy: -48.948 flat angles C4'-P-C4' energy: -59.478 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -91.779 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: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -980.705219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.705219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.705219 (E_RNA) where: Base-Base interactions energy: -692.313 where: short stacking energy: -316.052 Base-Backbone interact. energy: -1.666 local terms energy: -286.725892 where: bonds (distance) C4'-P energy: -47.132 bonds (distance) P-C4' energy: -51.332 flat angles C4'-P-C4' energy: -65.429 flat angles P-C4'-P energy: -39.011 tors. eta vs tors. theta energy: -83.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -851.158834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.158834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.158834 (E_RNA) where: Base-Base interactions energy: -559.991 where: short stacking energy: -259.991 Base-Backbone interact. energy: -0.937 local terms energy: -290.231326 where: bonds (distance) C4'-P energy: -52.254 bonds (distance) P-C4' energy: -56.754 flat angles C4'-P-C4' energy: -66.695 flat angles P-C4'-P energy: -38.633 tors. eta vs tors. theta energy: -75.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -875.230891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.230891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.230891 (E_RNA) where: Base-Base interactions energy: -592.336 where: short stacking energy: -260.660 Base-Backbone interact. energy: -1.210 local terms energy: -281.684757 where: bonds (distance) C4'-P energy: -51.204 bonds (distance) P-C4' energy: -39.382 flat angles C4'-P-C4' energy: -59.791 flat angles P-C4'-P energy: -50.555 tors. eta vs tors. theta energy: -80.753 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: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -766.845934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.845934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.845934 (E_RNA) where: Base-Base interactions energy: -528.686 where: short stacking energy: -195.483 Base-Backbone interact. energy: -0.779 local terms energy: -237.380828 where: bonds (distance) C4'-P energy: -41.933 bonds (distance) P-C4' energy: -56.628 flat angles C4'-P-C4' energy: -54.289 flat angles P-C4'-P energy: -34.927 tors. eta vs tors. theta energy: -49.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -592.500682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.500682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.500682 (E_RNA) where: Base-Base interactions energy: -381.573 where: short stacking energy: -185.450 Base-Backbone interact. energy: 0.328 local terms energy: -211.255910 where: bonds (distance) C4'-P energy: -52.980 bonds (distance) P-C4' energy: -55.994 flat angles C4'-P-C4' energy: -49.119 flat angles P-C4'-P energy: -26.519 tors. eta vs tors. theta energy: -26.644 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: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -404.780138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.780138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.780138 (E_RNA) where: Base-Base interactions energy: -227.592 where: short stacking energy: -119.193 Base-Backbone interact. energy: 0.536 local terms energy: -177.723975 where: bonds (distance) C4'-P energy: -50.777 bonds (distance) P-C4' energy: -56.592 flat angles C4'-P-C4' energy: -50.668 flat angles P-C4'-P energy: -15.980 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -296.669934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.669934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.669934 (E_RNA) where: Base-Base interactions energy: -127.452 where: short stacking energy: -99.787 Base-Backbone interact. energy: -1.145 local terms energy: -168.072664 where: bonds (distance) C4'-P energy: -34.242 bonds (distance) P-C4' energy: -60.948 flat angles C4'-P-C4' energy: -28.690 flat angles P-C4'-P energy: -32.775 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: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1063.264458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.264458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.264458 (E_RNA) where: Base-Base interactions energy: -739.234 where: short stacking energy: -306.758 Base-Backbone interact. energy: -1.837 local terms energy: -322.193926 where: bonds (distance) C4'-P energy: -56.188 bonds (distance) P-C4' energy: -53.674 flat angles C4'-P-C4' energy: -69.697 flat angles P-C4'-P energy: -53.170 tors. eta vs tors. theta energy: -89.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1003.659244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.659244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.659244 (E_RNA) where: Base-Base interactions energy: -693.848 where: short stacking energy: -311.371 Base-Backbone interact. energy: -0.271 local terms energy: -309.540247 where: bonds (distance) C4'-P energy: -48.948 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -68.942 flat angles P-C4'-P energy: -39.416 tors. eta vs tors. theta energy: -94.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -961.674027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.674027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.674027 (E_RNA) where: Base-Base interactions energy: -646.966 where: short stacking energy: -298.801 Base-Backbone interact. energy: 0.184 local terms energy: -314.891785 where: bonds (distance) C4'-P energy: -54.080 bonds (distance) P-C4' energy: -60.466 flat angles C4'-P-C4' energy: -68.513 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -83.367 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: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -966.969259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.969259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.969259 (E_RNA) where: Base-Base interactions energy: -680.287 where: short stacking energy: -291.968 Base-Backbone interact. energy: 0.734 local terms energy: -287.415832 where: bonds (distance) C4'-P energy: -58.947 bonds (distance) P-C4' energy: -45.642 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -33.178 tors. eta vs tors. theta energy: -85.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -913.805413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.805413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.805413 (E_RNA) where: Base-Base interactions energy: -620.141 where: short stacking energy: -273.913 Base-Backbone interact. energy: 0.999 local terms energy: -294.662781 where: bonds (distance) C4'-P energy: -55.219 bonds (distance) P-C4' energy: -58.697 flat angles C4'-P-C4' energy: -61.278 flat angles P-C4'-P energy: -46.853 tors. eta vs tors. theta energy: -72.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -847.177087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.177087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.177087 (E_RNA) where: Base-Base interactions energy: -572.417 where: short stacking energy: -264.050 Base-Backbone interact. energy: 1.520 local terms energy: -276.280394 where: bonds (distance) C4'-P energy: -53.316 bonds (distance) P-C4' energy: -61.232 flat angles C4'-P-C4' energy: -49.417 flat angles P-C4'-P energy: -34.800 tors. eta vs tors. theta energy: -77.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -776.211410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.211410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.211410 (E_RNA) where: Base-Base interactions energy: -547.045 where: short stacking energy: -218.826 Base-Backbone interact. energy: -0.783 local terms energy: -228.383053 where: bonds (distance) C4'-P energy: -47.486 bonds (distance) P-C4' energy: -46.395 flat angles C4'-P-C4' energy: -49.906 flat angles P-C4'-P energy: -26.193 tors. eta vs tors. theta energy: -58.402 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: 404 Temperature: 1.250000 Total energy: -568.534566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.534566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.534566 (E_RNA) where: Base-Base interactions energy: -355.141 where: short stacking energy: -181.871 Base-Backbone interact. energy: 0.245 local terms energy: -213.638454 where: bonds (distance) C4'-P energy: -50.885 bonds (distance) P-C4' energy: -49.621 flat angles C4'-P-C4' energy: -55.238 flat angles P-C4'-P energy: -27.876 tors. eta vs tors. theta energy: -30.019 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: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -464.290642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.290642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.290642 (E_RNA) where: Base-Base interactions energy: -280.158 where: short stacking energy: -141.616 Base-Backbone interact. energy: -1.207 local terms energy: -182.925598 where: bonds (distance) C4'-P energy: -42.912 bonds (distance) P-C4' energy: -47.887 flat angles C4'-P-C4' energy: -48.651 flat angles P-C4'-P energy: -23.371 tors. eta vs tors. theta energy: -20.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -248.954917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.954917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.954917 (E_RNA) where: Base-Base interactions energy: -78.805 where: short stacking energy: -53.090 Base-Backbone interact. energy: 2.233 local terms energy: -172.382896 where: bonds (distance) C4'-P energy: -57.642 bonds (distance) P-C4' energy: -51.012 flat angles C4'-P-C4' energy: -46.660 flat angles P-C4'-P energy: -16.672 tors. eta vs tors. theta energy: -0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1082.580761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.580761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.580761 (E_RNA) where: Base-Base interactions energy: -744.863 where: short stacking energy: -327.760 Base-Backbone interact. energy: -1.495 local terms energy: -336.223168 where: bonds (distance) C4'-P energy: -62.444 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: -98.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -985.865397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.865397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.865397 (E_RNA) where: Base-Base interactions energy: -669.784 where: short stacking energy: -299.719 Base-Backbone interact. energy: 0.308 local terms energy: -316.389068 where: bonds (distance) C4'-P energy: -48.452 bonds (distance) P-C4' energy: -59.010 flat angles C4'-P-C4' energy: -69.004 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -88.445 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: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -952.990398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.990398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.990398 (E_RNA) where: Base-Base interactions energy: -661.448 where: short stacking energy: -316.479 Base-Backbone interact. energy: -0.113 local terms energy: -291.428911 where: bonds (distance) C4'-P energy: -51.344 bonds (distance) P-C4' energy: -49.958 flat angles C4'-P-C4' energy: -61.374 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -87.756 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: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -993.169634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.169634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.169634 (E_RNA) where: Base-Base interactions energy: -698.900 where: short stacking energy: -305.580 Base-Backbone interact. energy: -0.973 local terms energy: -293.296469 where: bonds (distance) C4'-P energy: -50.142 bonds (distance) P-C4' energy: -53.156 flat angles C4'-P-C4' energy: -55.874 flat angles P-C4'-P energy: -40.509 tors. eta vs tors. theta energy: -93.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -919.190269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.190269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.190269 (E_RNA) where: Base-Base interactions energy: -638.321 where: short stacking energy: -273.773 Base-Backbone interact. energy: -1.899 local terms energy: -278.970154 where: bonds (distance) C4'-P energy: -45.161 bonds (distance) P-C4' energy: -52.069 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -76.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -842.671993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.671993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.671993 (E_RNA) where: Base-Base interactions energy: -576.489 where: short stacking energy: -240.866 Base-Backbone interact. energy: -1.254 local terms energy: -264.929182 where: bonds (distance) C4'-P energy: -53.667 bonds (distance) P-C4' energy: -54.063 flat angles C4'-P-C4' energy: -59.367 flat angles P-C4'-P energy: -34.661 tors. eta vs tors. theta energy: -63.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -810.250897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.250897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.250897 (E_RNA) where: Base-Base interactions energy: -539.041 where: short stacking energy: -239.862 Base-Backbone interact. energy: -0.759 local terms energy: -270.451141 where: bonds (distance) C4'-P energy: -48.932 bonds (distance) P-C4' energy: -55.346 flat angles C4'-P-C4' energy: -63.964 flat angles P-C4'-P energy: -42.644 tors. eta vs tors. theta energy: -59.564 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: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -531.308863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.308863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.308863 (E_RNA) where: Base-Base interactions energy: -338.938 where: short stacking energy: -149.260 Base-Backbone interact. energy: -1.113 local terms energy: -191.257516 where: bonds (distance) C4'-P energy: -50.941 bonds (distance) P-C4' energy: -45.026 flat angles C4'-P-C4' energy: -50.525 flat angles P-C4'-P energy: -32.660 tors. eta vs tors. theta energy: -12.106 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: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -433.038373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.038373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.038373 (E_RNA) where: Base-Base interactions energy: -241.456 where: short stacking energy: -130.164 Base-Backbone interact. energy: -0.814 local terms energy: -190.767590 where: bonds (distance) C4'-P energy: -46.754 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -51.117 flat angles P-C4'-P energy: -29.112 tors. eta vs tors. theta energy: -9.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -256.706484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.706484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.706484 (E_RNA) where: Base-Base interactions energy: -106.940 where: short stacking energy: -74.003 Base-Backbone interact. energy: -1.737 local terms energy: -148.029267 where: bonds (distance) C4'-P energy: -44.035 bonds (distance) P-C4' energy: -55.181 flat angles C4'-P-C4' energy: -39.263 flat angles P-C4'-P energy: -18.696 tors. eta vs tors. theta energy: 9.146 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: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1059.107205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.107205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.107205 (E_RNA) where: Base-Base interactions energy: -747.940 where: short stacking energy: -314.167 Base-Backbone interact. energy: -1.550 local terms energy: -309.617808 where: bonds (distance) C4'-P energy: -51.371 bonds (distance) P-C4' energy: -56.857 flat angles C4'-P-C4' energy: -62.829 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: -94.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1005.962670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.962670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.962670 (E_RNA) where: Base-Base interactions energy: -683.221 where: short stacking energy: -316.495 Base-Backbone interact. energy: -0.963 local terms energy: -321.778134 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -68.151 flat angles P-C4'-P energy: -43.815 tors. eta vs tors. theta energy: -90.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1011.934116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.934116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.934116 (E_RNA) where: Base-Base interactions energy: -690.590 where: short stacking energy: -299.255 Base-Backbone interact. energy: -0.048 local terms energy: -321.295595 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -56.972 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -87.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -953.993296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.993296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.993296 (E_RNA) where: Base-Base interactions energy: -662.526 where: short stacking energy: -282.117 Base-Backbone interact. energy: -0.017 local terms energy: -291.450519 where: bonds (distance) C4'-P energy: -48.347 bonds (distance) P-C4' energy: -58.070 flat angles C4'-P-C4' energy: -60.288 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: -82.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -922.014597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.014597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.014597 (E_RNA) where: Base-Base interactions energy: -641.917 where: short stacking energy: -288.542 Base-Backbone interact. energy: 0.089 local terms energy: -280.187018 where: bonds (distance) C4'-P energy: -40.001 bonds (distance) P-C4' energy: -52.675 flat angles C4'-P-C4' energy: -62.883 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: -85.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -831.372301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.372301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.372301 (E_RNA) where: Base-Base interactions energy: -574.638 where: short stacking energy: -231.625 Base-Backbone interact. energy: -1.138 local terms energy: -255.595902 where: bonds (distance) C4'-P energy: -49.876 bonds (distance) P-C4' energy: -47.390 flat angles C4'-P-C4' energy: -59.803 flat angles P-C4'-P energy: -36.236 tors. eta vs tors. theta energy: -62.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -778.852256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.852256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.852256 (E_RNA) where: Base-Base interactions energy: -528.045 where: short stacking energy: -224.298 Base-Backbone interact. energy: -0.639 local terms energy: -250.168776 where: bonds (distance) C4'-P energy: -43.756 bonds (distance) P-C4' energy: -58.763 flat angles C4'-P-C4' energy: -60.332 flat angles P-C4'-P energy: -32.098 tors. eta vs tors. theta energy: -55.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -520.417151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.417151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.417151 (E_RNA) where: Base-Base interactions energy: -323.591 where: short stacking energy: -160.236 Base-Backbone interact. energy: 0.257 local terms energy: -197.083713 where: bonds (distance) C4'-P energy: -42.571 bonds (distance) P-C4' energy: -51.552 flat angles C4'-P-C4' energy: -43.789 flat angles P-C4'-P energy: -29.316 tors. eta vs tors. theta energy: -29.856 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: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -431.369877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.369877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.369877 (E_RNA) where: Base-Base interactions energy: -252.759 where: short stacking energy: -159.688 Base-Backbone interact. energy: -0.464 local terms energy: -178.146882 where: bonds (distance) C4'-P energy: -50.099 bonds (distance) P-C4' energy: -32.515 flat angles C4'-P-C4' energy: -57.395 flat angles P-C4'-P energy: -14.891 tors. eta vs tors. theta energy: -23.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -316.304674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.304674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.304674 (E_RNA) where: Base-Base interactions energy: -128.178 where: short stacking energy: -90.307 Base-Backbone interact. energy: -0.767 local terms energy: -187.359752 where: bonds (distance) C4'-P energy: -50.224 bonds (distance) P-C4' energy: -51.385 flat angles C4'-P-C4' energy: -52.631 flat angles P-C4'-P energy: -26.663 tors. eta vs tors. theta energy: -6.458 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: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1070.953043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.953043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.953043 (E_RNA) where: Base-Base interactions energy: -743.854 where: short stacking energy: -329.939 Base-Backbone interact. energy: -1.070 local terms energy: -326.029159 where: bonds (distance) C4'-P energy: -57.513 bonds (distance) P-C4' energy: -62.157 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: -95.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1025.371374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.371374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.371374 (E_RNA) where: Base-Base interactions energy: -721.872 where: short stacking energy: -308.423 Base-Backbone interact. energy: -0.334 local terms energy: -303.165514 where: bonds (distance) C4'-P energy: -44.386 bonds (distance) P-C4' energy: -53.278 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -47.185 tors. eta vs tors. theta energy: -91.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -965.763436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.763436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.763436 (E_RNA) where: Base-Base interactions energy: -657.588 where: short stacking energy: -296.448 Base-Backbone interact. energy: -0.630 local terms energy: -307.545536 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -54.558 flat angles C4'-P-C4' energy: -66.731 flat angles P-C4'-P energy: -42.062 tors. eta vs tors. theta energy: -91.122 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: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -936.225771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.225771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.225771 (E_RNA) where: Base-Base interactions energy: -639.299 where: short stacking energy: -294.418 Base-Backbone interact. energy: -0.173 local terms energy: -296.754355 where: bonds (distance) C4'-P energy: -45.864 bonds (distance) P-C4' energy: -54.001 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -45.517 tors. eta vs tors. theta energy: -88.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -918.266405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.266405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.266405 (E_RNA) where: Base-Base interactions energy: -637.539 where: short stacking energy: -272.732 Base-Backbone interact. energy: -0.173 local terms energy: -280.553884 where: bonds (distance) C4'-P energy: -40.605 bonds (distance) P-C4' energy: -59.672 flat angles C4'-P-C4' energy: -55.324 flat angles P-C4'-P energy: -45.808 tors. eta vs tors. theta energy: -79.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -805.534819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.534819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.534819 (E_RNA) where: Base-Base interactions energy: -544.535 where: short stacking energy: -249.727 Base-Backbone interact. energy: -1.141 local terms energy: -259.859366 where: bonds (distance) C4'-P energy: -59.378 bonds (distance) P-C4' energy: -46.661 flat angles C4'-P-C4' energy: -55.368 flat angles P-C4'-P energy: -36.304 tors. eta vs tors. theta energy: -62.148 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: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -779.597481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.597481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.597481 (E_RNA) where: Base-Base interactions energy: -526.391 where: short stacking energy: -228.919 Base-Backbone interact. energy: -1.272 local terms energy: -251.934160 where: bonds (distance) C4'-P energy: -44.312 bonds (distance) P-C4' energy: -55.925 flat angles C4'-P-C4' energy: -52.419 flat angles P-C4'-P energy: -31.498 tors. eta vs tors. theta energy: -67.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -555.093276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.093276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.093276 (E_RNA) where: Base-Base interactions energy: -365.140 where: short stacking energy: -170.078 Base-Backbone interact. energy: 2.484 local terms energy: -192.437134 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -33.301 flat angles C4'-P-C4' energy: -50.593 flat angles P-C4'-P energy: -15.699 tors. eta vs tors. theta energy: -29.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -463.813621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.813621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.813621 (E_RNA) where: Base-Base interactions energy: -253.348 where: short stacking energy: -144.389 Base-Backbone interact. energy: -1.128 local terms energy: -209.337990 where: bonds (distance) C4'-P energy: -48.890 bonds (distance) P-C4' energy: -42.072 flat angles C4'-P-C4' energy: -54.123 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: -26.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -278.563029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.563029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.563029 (E_RNA) where: Base-Base interactions energy: -113.986 where: short stacking energy: -96.627 Base-Backbone interact. energy: 1.468 local terms energy: -166.044809 where: bonds (distance) C4'-P energy: -57.153 bonds (distance) P-C4' energy: -39.647 flat angles C4'-P-C4' energy: -39.501 flat angles P-C4'-P energy: -28.641 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1086.968499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.968499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.968499 (E_RNA) where: Base-Base interactions energy: -748.577 where: short stacking energy: -334.548 Base-Backbone interact. energy: -0.376 local terms energy: -338.015792 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -64.319 flat angles P-C4'-P energy: -58.026 tors. eta vs tors. theta energy: -94.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1018.833590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.833590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.833590 (E_RNA) where: Base-Base interactions energy: -711.954 where: short stacking energy: -319.894 Base-Backbone interact. energy: -1.140 local terms energy: -305.739367 where: bonds (distance) C4'-P energy: -56.413 bonds (distance) P-C4' energy: -55.634 flat angles C4'-P-C4' energy: -65.490 flat angles P-C4'-P energy: -41.286 tors. eta vs tors. theta energy: -86.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -972.039514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.039514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.039514 (E_RNA) where: Base-Base interactions energy: -674.088 where: short stacking energy: -300.432 Base-Backbone interact. energy: 0.800 local terms energy: -298.750975 where: bonds (distance) C4'-P energy: -54.798 bonds (distance) P-C4' energy: -52.564 flat angles C4'-P-C4' energy: -66.436 flat angles P-C4'-P energy: -42.735 tors. eta vs tors. theta energy: -82.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -934.426839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.426839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.426839 (E_RNA) where: Base-Base interactions energy: -643.435 where: short stacking energy: -294.019 Base-Backbone interact. energy: 1.208 local terms energy: -292.199961 where: bonds (distance) C4'-P energy: -61.455 bonds (distance) P-C4' energy: -50.940 flat angles C4'-P-C4' energy: -53.132 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -88.174 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: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -928.228340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.228340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.228340 (E_RNA) where: Base-Base interactions energy: -626.482 where: short stacking energy: -287.695 Base-Backbone interact. energy: -1.743 local terms energy: -300.003272 where: bonds (distance) C4'-P energy: -46.511 bonds (distance) P-C4' energy: -59.034 flat angles C4'-P-C4' energy: -60.770 flat angles P-C4'-P energy: -46.678 tors. eta vs tors. theta energy: -87.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -804.178471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.178471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.178471 (E_RNA) where: Base-Base interactions energy: -526.353 where: short stacking energy: -241.941 Base-Backbone interact. energy: -1.859 local terms energy: -275.966759 where: bonds (distance) C4'-P energy: -54.651 bonds (distance) P-C4' energy: -53.213 flat angles C4'-P-C4' energy: -61.665 flat angles P-C4'-P energy: -36.167 tors. eta vs tors. theta energy: -70.271 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: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -837.258856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.258856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.258856 (E_RNA) where: Base-Base interactions energy: -571.496 where: short stacking energy: -259.976 Base-Backbone interact. energy: -1.528 local terms energy: -264.234499 where: bonds (distance) C4'-P energy: -57.515 bonds (distance) P-C4' energy: -43.054 flat angles C4'-P-C4' energy: -53.900 flat angles P-C4'-P energy: -42.763 tors. eta vs tors. theta energy: -67.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -555.163171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.163171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.163171 (E_RNA) where: Base-Base interactions energy: -381.725 where: short stacking energy: -157.497 Base-Backbone interact. energy: -0.093 local terms energy: -173.344935 where: bonds (distance) C4'-P energy: -44.640 bonds (distance) P-C4' energy: -52.034 flat angles C4'-P-C4' energy: -32.020 flat angles P-C4'-P energy: -32.237 tors. eta vs tors. theta energy: -12.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -430.075086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.075086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.075086 (E_RNA) where: Base-Base interactions energy: -230.563 where: short stacking energy: -140.227 Base-Backbone interact. energy: -0.660 local terms energy: -198.852705 where: bonds (distance) C4'-P energy: -36.019 bonds (distance) P-C4' energy: -71.026 flat angles C4'-P-C4' energy: -44.787 flat angles P-C4'-P energy: -31.455 tors. eta vs tors. theta energy: -15.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -265.700475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.700475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.700475 (E_RNA) where: Base-Base interactions energy: -128.481 where: short stacking energy: -93.360 Base-Backbone interact. energy: -1.749 local terms energy: -135.470402 where: bonds (distance) C4'-P energy: -33.065 bonds (distance) P-C4' energy: -40.728 flat angles C4'-P-C4' energy: -38.666 flat angles P-C4'-P energy: -27.570 tors. eta vs tors. theta energy: 4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1074.841104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.841104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.841104 (E_RNA) where: Base-Base interactions energy: -742.811 where: short stacking energy: -330.463 Base-Backbone interact. energy: -1.023 local terms energy: -331.007294 where: bonds (distance) C4'-P energy: -51.044 bonds (distance) P-C4' energy: -62.229 flat angles C4'-P-C4' energy: -71.540 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -96.751 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: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1024.843878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.843878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.843878 (E_RNA) where: Base-Base interactions energy: -718.198 where: short stacking energy: -303.472 Base-Backbone interact. energy: -2.760 local terms energy: -303.885355 where: bonds (distance) C4'-P energy: -55.390 bonds (distance) P-C4' energy: -53.760 flat angles C4'-P-C4' energy: -58.844 flat angles P-C4'-P energy: -40.998 tors. eta vs tors. theta energy: -94.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -974.037269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.037269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.037269 (E_RNA) where: Base-Base interactions energy: -672.928 where: short stacking energy: -300.252 Base-Backbone interact. energy: -0.948 local terms energy: -300.160829 where: bonds (distance) C4'-P energy: -57.612 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -66.295 flat angles P-C4'-P energy: -43.088 tors. eta vs tors. theta energy: -76.484 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: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -933.918654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.918654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.918654 (E_RNA) where: Base-Base interactions energy: -630.461 where: short stacking energy: -290.408 Base-Backbone interact. energy: -0.314 local terms energy: -303.144119 where: bonds (distance) C4'-P energy: -43.387 bonds (distance) P-C4' energy: -70.652 flat angles C4'-P-C4' energy: -65.537 flat angles P-C4'-P energy: -41.968 tors. eta vs tors. theta energy: -81.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -917.027577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.027577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.027577 (E_RNA) where: Base-Base interactions energy: -640.316 where: short stacking energy: -290.535 Base-Backbone interact. energy: -0.707 local terms energy: -276.004583 where: bonds (distance) C4'-P energy: -54.587 bonds (distance) P-C4' energy: -52.587 flat angles C4'-P-C4' energy: -50.198 flat angles P-C4'-P energy: -35.703 tors. eta vs tors. theta energy: -82.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -844.807289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.807289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.807289 (E_RNA) where: Base-Base interactions energy: -598.367 where: short stacking energy: -262.237 Base-Backbone interact. energy: 1.815 local terms energy: -248.255920 where: bonds (distance) C4'-P energy: -53.034 bonds (distance) P-C4' energy: -50.321 flat angles C4'-P-C4' energy: -54.661 flat angles P-C4'-P energy: -24.645 tors. eta vs tors. theta energy: -65.595 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: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -789.010999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.010999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.010999 (E_RNA) where: Base-Base interactions energy: -534.937 where: short stacking energy: -224.785 Base-Backbone interact. energy: -0.399 local terms energy: -253.674987 where: bonds (distance) C4'-P energy: -48.625 bonds (distance) P-C4' energy: -55.634 flat angles C4'-P-C4' energy: -47.558 flat angles P-C4'-P energy: -36.887 tors. eta vs tors. theta energy: -64.972 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: 409 Temperature: 1.250000 Total energy: -578.028752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.028752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.028752 (E_RNA) where: Base-Base interactions energy: -385.074 where: short stacking energy: -156.712 Base-Backbone interact. energy: -1.161 local terms energy: -191.793132 where: bonds (distance) C4'-P energy: -42.689 bonds (distance) P-C4' energy: -55.510 flat angles C4'-P-C4' energy: -49.394 flat angles P-C4'-P energy: -21.481 tors. eta vs tors. theta energy: -22.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -443.166232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.166232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.166232 (E_RNA) where: Base-Base interactions energy: -251.150 where: short stacking energy: -149.522 Base-Backbone interact. energy: -1.050 local terms energy: -190.966977 where: bonds (distance) C4'-P energy: -41.137 bonds (distance) P-C4' energy: -45.987 flat angles C4'-P-C4' energy: -46.874 flat angles P-C4'-P energy: -29.245 tors. eta vs tors. theta energy: -27.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -340.783445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.783445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.783445 (E_RNA) where: Base-Base interactions energy: -174.655 where: short stacking energy: -97.701 Base-Backbone interact. energy: 1.386 local terms energy: -167.513775 where: bonds (distance) C4'-P energy: -36.491 bonds (distance) P-C4' energy: -51.458 flat angles C4'-P-C4' energy: -52.199 flat angles P-C4'-P energy: -24.756 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1064.670949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.670949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.670949 (E_RNA) where: Base-Base interactions energy: -727.837 where: short stacking energy: -334.618 Base-Backbone interact. energy: -0.619 local terms energy: -336.215312 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -57.776 flat angles C4'-P-C4' energy: -68.740 flat angles P-C4'-P energy: -46.288 tors. eta vs tors. theta energy: -95.512 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: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1032.822649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.822649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.822649 (E_RNA) where: Base-Base interactions energy: -710.020 where: short stacking energy: -314.565 Base-Backbone interact. energy: -0.532 local terms energy: -322.271082 where: bonds (distance) C4'-P energy: -54.000 bonds (distance) P-C4' energy: -56.309 flat angles C4'-P-C4' energy: -72.217 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -93.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -967.094709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.094709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.094709 (E_RNA) where: Base-Base interactions energy: -674.592 where: short stacking energy: -291.140 Base-Backbone interact. energy: -1.547 local terms energy: -290.956107 where: bonds (distance) C4'-P energy: -50.206 bonds (distance) P-C4' energy: -48.637 flat angles C4'-P-C4' energy: -59.489 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -86.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -964.853697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.853697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.853697 (E_RNA) where: Base-Base interactions energy: -655.547 where: short stacking energy: -286.829 Base-Backbone interact. energy: -0.321 local terms energy: -308.985780 where: bonds (distance) C4'-P energy: -51.327 bonds (distance) P-C4' energy: -57.245 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -47.132 tors. eta vs tors. theta energy: -86.580 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: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -924.593890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.593890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.593890 (E_RNA) where: Base-Base interactions energy: -612.460 where: short stacking energy: -285.401 Base-Backbone interact. energy: -1.517 local terms energy: -310.617370 where: bonds (distance) C4'-P energy: -54.639 bonds (distance) P-C4' energy: -64.508 flat angles C4'-P-C4' energy: -61.409 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -82.779 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: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -857.006265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.006265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.006265 (E_RNA) where: Base-Base interactions energy: -580.160 where: short stacking energy: -263.599 Base-Backbone interact. energy: -2.462 local terms energy: -274.384174 where: bonds (distance) C4'-P energy: -48.855 bonds (distance) P-C4' energy: -50.509 flat angles C4'-P-C4' energy: -64.171 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -69.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -778.907570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.907570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.907570 (E_RNA) where: Base-Base interactions energy: -538.117 where: short stacking energy: -218.239 Base-Backbone interact. energy: -0.716 local terms energy: -240.074314 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -44.402 flat angles C4'-P-C4' energy: -54.951 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -48.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -577.649706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.649706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.649706 (E_RNA) where: Base-Base interactions energy: -375.281 where: short stacking energy: -174.516 Base-Backbone interact. energy: 2.377 local terms energy: -204.746091 where: bonds (distance) C4'-P energy: -44.726 bonds (distance) P-C4' energy: -53.454 flat angles C4'-P-C4' energy: -49.759 flat angles P-C4'-P energy: -35.256 tors. eta vs tors. theta energy: -21.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -442.598103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.598103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.598103 (E_RNA) where: Base-Base interactions energy: -269.322 where: short stacking energy: -138.869 Base-Backbone interact. energy: 5.948 local terms energy: -179.224382 where: bonds (distance) C4'-P energy: -50.643 bonds (distance) P-C4' energy: -48.167 flat angles C4'-P-C4' energy: -48.542 flat angles P-C4'-P energy: -16.417 tors. eta vs tors. theta energy: -15.456 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: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -338.977041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.977041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.977041 (E_RNA) where: Base-Base interactions energy: -165.576 where: short stacking energy: -98.513 Base-Backbone interact. energy: -0.102 local terms energy: -173.298575 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -54.740 flat angles C4'-P-C4' energy: -45.681 flat angles P-C4'-P energy: -13.602 tors. eta vs tors. theta energy: 2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1064.004732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.004732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.004732 (E_RNA) where: Base-Base interactions energy: -722.352 where: short stacking energy: -313.331 Base-Backbone interact. energy: -0.689 local terms energy: -340.963305 where: bonds (distance) C4'-P energy: -68.521 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -63.382 flat angles P-C4'-P energy: -46.126 tors. eta vs tors. theta energy: -95.083 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: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1024.637137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.637137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.637137 (E_RNA) where: Base-Base interactions energy: -703.002 where: short stacking energy: -316.191 Base-Backbone interact. energy: -1.686 local terms energy: -319.949347 where: bonds (distance) C4'-P energy: -54.146 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -72.965 flat angles P-C4'-P energy: -42.018 tors. eta vs tors. theta energy: -92.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -971.001032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.001032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.001032 (E_RNA) where: Base-Base interactions energy: -658.578 where: short stacking energy: -305.706 Base-Backbone interact. energy: -0.344 local terms energy: -312.078447 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -62.517 flat angles C4'-P-C4' energy: -61.912 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -89.810 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -956.302053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.302053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.302053 (E_RNA) where: Base-Base interactions energy: -649.748 where: short stacking energy: -298.811 Base-Backbone interact. energy: -1.379 local terms energy: -305.175188 where: bonds (distance) C4'-P energy: -50.305 bonds (distance) P-C4' energy: -63.084 flat angles C4'-P-C4' energy: -65.580 flat angles P-C4'-P energy: -37.461 tors. eta vs tors. theta energy: -88.744 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: 411 Temperature: 1.100000 Total energy: -934.914053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.914053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.914053 (E_RNA) where: Base-Base interactions energy: -642.137 where: short stacking energy: -295.428 Base-Backbone interact. energy: -0.438 local terms energy: -292.338941 where: bonds (distance) C4'-P energy: -54.587 bonds (distance) P-C4' energy: -52.177 flat angles C4'-P-C4' energy: -60.488 flat angles P-C4'-P energy: -38.123 tors. eta vs tors. theta energy: -86.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -841.944847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.944847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.944847 (E_RNA) where: Base-Base interactions energy: -584.820 where: short stacking energy: -254.420 Base-Backbone interact. energy: -0.563 local terms energy: -256.561822 where: bonds (distance) C4'-P energy: -48.014 bonds (distance) P-C4' energy: -48.880 flat angles C4'-P-C4' energy: -50.938 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -61.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -776.270581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.270581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.270581 (E_RNA) where: Base-Base interactions energy: -525.730 where: short stacking energy: -227.214 Base-Backbone interact. energy: 1.682 local terms energy: -252.222609 where: bonds (distance) C4'-P energy: -48.262 bonds (distance) P-C4' energy: -56.811 flat angles C4'-P-C4' energy: -52.956 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -57.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -622.243158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.243158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.243158 (E_RNA) where: Base-Base interactions energy: -394.326 where: short stacking energy: -172.997 Base-Backbone interact. energy: -3.177 local terms energy: -224.740469 where: bonds (distance) C4'-P energy: -54.844 bonds (distance) P-C4' energy: -43.653 flat angles C4'-P-C4' energy: -54.376 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -35.970 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: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -418.832199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.832199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.832199 (E_RNA) where: Base-Base interactions energy: -223.150 where: short stacking energy: -144.165 Base-Backbone interact. energy: 1.308 local terms energy: -196.990261 where: bonds (distance) C4'-P energy: -47.189 bonds (distance) P-C4' energy: -56.407 flat angles C4'-P-C4' energy: -50.550 flat angles P-C4'-P energy: -21.175 tors. eta vs tors. theta energy: -21.670 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: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -362.219183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.219183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.219183 (E_RNA) where: Base-Base interactions energy: -198.558 where: short stacking energy: -104.621 Base-Backbone interact. energy: -1.031 local terms energy: -162.630131 where: bonds (distance) C4'-P energy: -47.426 bonds (distance) P-C4' energy: -52.315 flat angles C4'-P-C4' energy: -41.218 flat angles P-C4'-P energy: -23.931 tors. eta vs tors. theta energy: 2.260 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: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1058.038801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.038801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.038801 (E_RNA) where: Base-Base interactions energy: -718.799 where: short stacking energy: -324.154 Base-Backbone interact. energy: -0.788 local terms energy: -338.451754 where: bonds (distance) C4'-P energy: -64.814 bonds (distance) P-C4' energy: -54.470 flat angles C4'-P-C4' energy: -74.024 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -99.450 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: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1033.460963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.460963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.460963 (E_RNA) where: Base-Base interactions energy: -705.642 where: short stacking energy: -315.503 Base-Backbone interact. energy: -2.025 local terms energy: -325.793251 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -57.572 flat angles C4'-P-C4' energy: -66.065 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: -97.801 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: 412 Temperature: 1.000000 Total energy: -966.772506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.772506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.772506 (E_RNA) where: Base-Base interactions energy: -663.717 where: short stacking energy: -304.884 Base-Backbone interact. energy: -0.247 local terms energy: -302.808901 where: bonds (distance) C4'-P energy: -59.708 bonds (distance) P-C4' energy: -55.698 flat angles C4'-P-C4' energy: -55.276 flat angles P-C4'-P energy: -36.681 tors. eta vs tors. theta energy: -95.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -963.464353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.464353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.464353 (E_RNA) where: Base-Base interactions energy: -656.365 where: short stacking energy: -278.076 Base-Backbone interact. energy: -1.859 local terms energy: -305.240366 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -58.224 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -46.998 tors. eta vs tors. theta energy: -86.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -931.689915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.689915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.689915 (E_RNA) where: Base-Base interactions energy: -635.689 where: short stacking energy: -269.738 Base-Backbone interact. energy: 0.150 local terms energy: -296.150597 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -64.611 flat angles C4'-P-C4' energy: -61.779 flat angles P-C4'-P energy: -37.329 tors. eta vs tors. theta energy: -72.779 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: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -818.342731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.342731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.342731 (E_RNA) where: Base-Base interactions energy: -548.753 where: short stacking energy: -248.232 Base-Backbone interact. energy: -0.705 local terms energy: -268.884086 where: bonds (distance) C4'-P energy: -51.660 bonds (distance) P-C4' energy: -47.851 flat angles C4'-P-C4' energy: -64.030 flat angles P-C4'-P energy: -35.955 tors. eta vs tors. theta energy: -69.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -814.212406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.212406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.212406 (E_RNA) where: Base-Base interactions energy: -554.918 where: short stacking energy: -246.004 Base-Backbone interact. energy: 0.083 local terms energy: -259.376857 where: bonds (distance) C4'-P energy: -50.360 bonds (distance) P-C4' energy: -52.212 flat angles C4'-P-C4' energy: -51.639 flat angles P-C4'-P energy: -31.310 tors. eta vs tors. theta energy: -73.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -575.573752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.573752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.573752 (E_RNA) where: Base-Base interactions energy: -376.851 where: short stacking energy: -178.219 Base-Backbone interact. energy: -1.447 local terms energy: -197.274921 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -50.479 flat angles C4'-P-C4' energy: -38.433 flat angles P-C4'-P energy: -15.158 tors. eta vs tors. theta energy: -36.646 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: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -427.632303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.632303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.632303 (E_RNA) where: Base-Base interactions energy: -229.016 where: short stacking energy: -107.315 Base-Backbone interact. energy: -2.011 local terms energy: -196.605058 where: bonds (distance) C4'-P energy: -52.461 bonds (distance) P-C4' energy: -49.530 flat angles C4'-P-C4' energy: -44.444 flat angles P-C4'-P energy: -35.361 tors. eta vs tors. theta energy: -14.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -345.056699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.056699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.056699 (E_RNA) where: Base-Base interactions energy: -174.947 where: short stacking energy: -101.328 Base-Backbone interact. energy: -0.286 local terms energy: -169.824030 where: bonds (distance) C4'-P energy: -46.625 bonds (distance) P-C4' energy: -53.607 flat angles C4'-P-C4' energy: -34.909 flat angles P-C4'-P energy: -28.028 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1032.464844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.464844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.464844 (E_RNA) where: Base-Base interactions energy: -707.402 where: short stacking energy: -315.237 Base-Backbone interact. energy: 0.224 local terms energy: -325.286797 where: bonds (distance) C4'-P energy: -59.898 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -89.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1024.148113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.148113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.148113 (E_RNA) where: Base-Base interactions energy: -705.876 where: short stacking energy: -323.960 Base-Backbone interact. energy: -1.153 local terms energy: -317.118381 where: bonds (distance) C4'-P energy: -60.041 bonds (distance) P-C4' energy: -48.674 flat angles C4'-P-C4' energy: -59.227 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: -103.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -980.431508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.431508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.431508 (E_RNA) where: Base-Base interactions energy: -662.529 where: short stacking energy: -294.904 Base-Backbone interact. energy: -0.727 local terms energy: -317.174565 where: bonds (distance) C4'-P energy: -57.287 bonds (distance) P-C4' energy: -53.089 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -49.912 tors. eta vs tors. theta energy: -90.965 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: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -941.544971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.544971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.544971 (E_RNA) where: Base-Base interactions energy: -644.571 where: short stacking energy: -272.268 Base-Backbone interact. energy: -0.808 local terms energy: -296.165023 where: bonds (distance) C4'-P energy: -52.142 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -72.860 flat angles P-C4'-P energy: -28.855 tors. eta vs tors. theta energy: -82.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -955.494204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.494204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.494204 (E_RNA) where: Base-Base interactions energy: -667.059 where: short stacking energy: -295.883 Base-Backbone interact. energy: 1.729 local terms energy: -290.164248 where: bonds (distance) C4'-P energy: -55.263 bonds (distance) P-C4' energy: -55.382 flat angles C4'-P-C4' energy: -62.429 flat angles P-C4'-P energy: -37.103 tors. eta vs tors. theta energy: -79.986 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: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -819.323152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.323152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.323152 (E_RNA) where: Base-Base interactions energy: -532.942 where: short stacking energy: -235.831 Base-Backbone interact. energy: -0.725 local terms energy: -285.656315 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -61.425 flat angles C4'-P-C4' energy: -61.775 flat angles P-C4'-P energy: -35.001 tors. eta vs tors. theta energy: -69.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -792.726782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.726782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.726782 (E_RNA) where: Base-Base interactions energy: -533.071 where: short stacking energy: -244.089 Base-Backbone interact. energy: 0.518 local terms energy: -260.173568 where: bonds (distance) C4'-P energy: -49.728 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -57.480 flat angles P-C4'-P energy: -30.111 tors. eta vs tors. theta energy: -64.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -466.639674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.639674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.639674 (E_RNA) where: Base-Base interactions energy: -258.989 where: short stacking energy: -136.672 Base-Backbone interact. energy: -0.950 local terms energy: -206.700101 where: bonds (distance) C4'-P energy: -52.591 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -50.102 flat angles P-C4'-P energy: -27.363 tors. eta vs tors. theta energy: -21.525 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: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -512.331108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.331108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.331108 (E_RNA) where: Base-Base interactions energy: -331.605 where: short stacking energy: -150.229 Base-Backbone interact. energy: 0.544 local terms energy: -181.269923 where: bonds (distance) C4'-P energy: -41.226 bonds (distance) P-C4' energy: -46.947 flat angles C4'-P-C4' energy: -43.986 flat angles P-C4'-P energy: -22.384 tors. eta vs tors. theta energy: -26.727 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -315.999302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.999302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.999302 (E_RNA) where: Base-Base interactions energy: -148.961 where: short stacking energy: -90.798 Base-Backbone interact. energy: 1.265 local terms energy: -168.304274 where: bonds (distance) C4'-P energy: -45.100 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -33.729 flat angles P-C4'-P energy: -29.852 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1043.518254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.518254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.518254 (E_RNA) where: Base-Base interactions energy: -715.266 where: short stacking energy: -331.727 Base-Backbone interact. energy: 0.146 local terms energy: -328.398195 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -95.719 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: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1031.239605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.239605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.239605 (E_RNA) where: Base-Base interactions energy: -721.577 where: short stacking energy: -313.567 Base-Backbone interact. energy: -0.742 local terms energy: -308.920983 where: bonds (distance) C4'-P energy: -47.561 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -64.225 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -90.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -953.207377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.207377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.207377 (E_RNA) where: Base-Base interactions energy: -657.819 where: short stacking energy: -300.134 Base-Backbone interact. energy: -0.406 local terms energy: -294.981762 where: bonds (distance) C4'-P energy: -41.993 bonds (distance) P-C4' energy: -56.525 flat angles C4'-P-C4' energy: -66.435 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -83.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -946.492147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.492147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.492147 (E_RNA) where: Base-Base interactions energy: -653.661 where: short stacking energy: -303.417 Base-Backbone interact. energy: -0.969 local terms energy: -291.861621 where: bonds (distance) C4'-P energy: -51.203 bonds (distance) P-C4' energy: -53.602 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: -77.226 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: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -880.086633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.086633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.086633 (E_RNA) where: Base-Base interactions energy: -603.057 where: short stacking energy: -284.034 Base-Backbone interact. energy: -0.628 local terms energy: -276.401291 where: bonds (distance) C4'-P energy: -50.755 bonds (distance) P-C4' energy: -43.324 flat angles C4'-P-C4' energy: -59.671 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: -80.551 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: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -890.657942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.657942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.657942 (E_RNA) where: Base-Base interactions energy: -610.475 where: short stacking energy: -258.229 Base-Backbone interact. energy: 0.994 local terms energy: -281.176933 where: bonds (distance) C4'-P energy: -46.609 bonds (distance) P-C4' energy: -59.749 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -73.902 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: 414 Temperature: 1.200000 Total energy: -808.392873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.392873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.392873 (E_RNA) where: Base-Base interactions energy: -566.549 where: short stacking energy: -226.469 Base-Backbone interact. energy: -0.399 local terms energy: -241.444360 where: bonds (distance) C4'-P energy: -42.564 bonds (distance) P-C4' energy: -50.193 flat angles C4'-P-C4' energy: -52.914 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -57.886 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: 414 Temperature: 1.250000 Total energy: -506.925691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.925691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.925691 (E_RNA) where: Base-Base interactions energy: -293.266 where: short stacking energy: -158.848 Base-Backbone interact. energy: -1.722 local terms energy: -211.938358 where: bonds (distance) C4'-P energy: -43.915 bonds (distance) P-C4' energy: -62.506 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -22.766 tors. eta vs tors. theta energy: -30.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -492.754129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.754129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.754129 (E_RNA) where: Base-Base interactions energy: -301.263 where: short stacking energy: -128.534 Base-Backbone interact. energy: -0.199 local terms energy: -191.292058 where: bonds (distance) C4'-P energy: -42.455 bonds (distance) P-C4' energy: -56.850 flat angles C4'-P-C4' energy: -51.977 flat angles P-C4'-P energy: -23.112 tors. eta vs tors. theta energy: -16.898 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: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -250.935931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.935931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.935931 (E_RNA) where: Base-Base interactions energy: -98.562 where: short stacking energy: -81.176 Base-Backbone interact. energy: -1.832 local terms energy: -150.542283 where: bonds (distance) C4'-P energy: -50.319 bonds (distance) P-C4' energy: -53.936 flat angles C4'-P-C4' energy: -35.889 flat angles P-C4'-P energy: -20.343 tors. eta vs tors. theta energy: 9.944 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: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1061.028837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.028837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.028837 (E_RNA) where: Base-Base interactions energy: -752.908 where: short stacking energy: -334.521 Base-Backbone interact. energy: -0.530 local terms energy: -307.590828 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -54.722 flat angles C4'-P-C4' energy: -68.059 flat angles P-C4'-P energy: -42.651 tors. eta vs tors. theta energy: -89.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1018.736336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.736336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.736336 (E_RNA) where: Base-Base interactions energy: -706.179 where: short stacking energy: -309.682 Base-Backbone interact. energy: -0.464 local terms energy: -312.093682 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -91.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -965.457565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.457565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.457565 (E_RNA) where: Base-Base interactions energy: -654.292 where: short stacking energy: -290.723 Base-Backbone interact. energy: -0.308 local terms energy: -310.857747 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -55.308 flat angles C4'-P-C4' energy: -65.575 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: -87.309 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: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -969.602379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.602379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.602379 (E_RNA) where: Base-Base interactions energy: -674.410 where: short stacking energy: -307.797 Base-Backbone interact. energy: -1.264 local terms energy: -293.928831 where: bonds (distance) C4'-P energy: -53.660 bonds (distance) P-C4' energy: -51.697 flat angles C4'-P-C4' energy: -56.301 flat angles P-C4'-P energy: -46.955 tors. eta vs tors. theta energy: -85.315 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: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -858.178920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.178920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.178920 (E_RNA) where: Base-Base interactions energy: -591.535 where: short stacking energy: -249.386 Base-Backbone interact. energy: -0.771 local terms energy: -265.872676 where: bonds (distance) C4'-P energy: -50.592 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -47.851 flat angles P-C4'-P energy: -37.221 tors. eta vs tors. theta energy: -70.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -902.162811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.162811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.162811 (E_RNA) where: Base-Base interactions energy: -612.150 where: short stacking energy: -269.802 Base-Backbone interact. energy: -1.144 local terms energy: -288.868536 where: bonds (distance) C4'-P energy: -44.940 bonds (distance) P-C4' energy: -56.790 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -36.153 tors. eta vs tors. theta energy: -80.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -792.776643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.776643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.776643 (E_RNA) where: Base-Base interactions energy: -532.055 where: short stacking energy: -233.899 Base-Backbone interact. energy: -0.943 local terms energy: -259.778336 where: bonds (distance) C4'-P energy: -50.517 bonds (distance) P-C4' energy: -52.834 flat angles C4'-P-C4' energy: -59.643 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -65.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -515.257157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.257157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.257157 (E_RNA) where: Base-Base interactions energy: -310.182 where: short stacking energy: -163.176 Base-Backbone interact. energy: -0.271 local terms energy: -204.804677 where: bonds (distance) C4'-P energy: -43.810 bonds (distance) P-C4' energy: -54.496 flat angles C4'-P-C4' energy: -48.736 flat angles P-C4'-P energy: -24.326 tors. eta vs tors. theta energy: -33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -489.193143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.193143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.193143 (E_RNA) where: Base-Base interactions energy: -292.129 where: short stacking energy: -136.080 Base-Backbone interact. energy: -1.301 local terms energy: -195.763115 where: bonds (distance) C4'-P energy: -54.413 bonds (distance) P-C4' energy: -41.571 flat angles C4'-P-C4' energy: -47.648 flat angles P-C4'-P energy: -30.725 tors. eta vs tors. theta energy: -21.407 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: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -323.174610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.174610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.174610 (E_RNA) where: Base-Base interactions energy: -147.674 where: short stacking energy: -83.472 Base-Backbone interact. energy: -0.394 local terms energy: -175.106010 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -52.989 flat angles C4'-P-C4' energy: -44.945 flat angles P-C4'-P energy: -17.949 tors. eta vs tors. theta energy: 4.143 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: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1039.685742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.685742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.685742 (E_RNA) where: Base-Base interactions energy: -716.642 where: short stacking energy: -312.068 Base-Backbone interact. energy: -0.373 local terms energy: -322.670848 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -70.661 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -89.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1015.542568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.542568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.542568 (E_RNA) where: Base-Base interactions energy: -707.375 where: short stacking energy: -300.894 Base-Backbone interact. energy: -1.486 local terms energy: -306.682165 where: bonds (distance) C4'-P energy: -54.833 bonds (distance) P-C4' energy: -53.329 flat angles C4'-P-C4' energy: -66.827 flat angles P-C4'-P energy: -44.331 tors. eta vs tors. theta energy: -87.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -928.943402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.943402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.943402 (E_RNA) where: Base-Base interactions energy: -640.499 where: short stacking energy: -275.366 Base-Backbone interact. energy: 0.557 local terms energy: -289.001183 where: bonds (distance) C4'-P energy: -51.065 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -78.417 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: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -939.277836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.277836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.277836 (E_RNA) where: Base-Base interactions energy: -649.532 where: short stacking energy: -277.166 Base-Backbone interact. energy: -1.031 local terms energy: -288.714222 where: bonds (distance) C4'-P energy: -50.679 bonds (distance) P-C4' energy: -58.430 flat angles C4'-P-C4' energy: -59.228 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -80.000 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: 416 Temperature: 1.100000 Total energy: -897.215237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.215237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.215237 (E_RNA) where: Base-Base interactions energy: -600.236 where: short stacking energy: -263.679 Base-Backbone interact. energy: -1.790 local terms energy: -295.188793 where: bonds (distance) C4'-P energy: -55.368 bonds (distance) P-C4' energy: -60.087 flat angles C4'-P-C4' energy: -65.279 flat angles P-C4'-P energy: -37.452 tors. eta vs tors. theta energy: -77.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -837.239706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.239706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.239706 (E_RNA) where: Base-Base interactions energy: -569.989 where: short stacking energy: -246.828 Base-Backbone interact. energy: -0.086 local terms energy: -267.164509 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -46.535 flat angles C4'-P-C4' energy: -62.688 flat angles P-C4'-P energy: -35.319 tors. eta vs tors. theta energy: -67.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -748.060964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.060964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.060964 (E_RNA) where: Base-Base interactions energy: -517.644 where: short stacking energy: -216.452 Base-Backbone interact. energy: -0.581 local terms energy: -229.836275 where: bonds (distance) C4'-P energy: -39.357 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -57.369 flat angles P-C4'-P energy: -28.060 tors. eta vs tors. theta energy: -47.602 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: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -560.683142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.683142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.683142 (E_RNA) where: Base-Base interactions energy: -338.900 where: short stacking energy: -157.021 Base-Backbone interact. energy: -0.356 local terms energy: -221.427389 where: bonds (distance) C4'-P energy: -51.128 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -54.990 flat angles P-C4'-P energy: -30.946 tors. eta vs tors. theta energy: -20.386 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: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -492.958333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.958333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.958333 (E_RNA) where: Base-Base interactions energy: -284.607 where: short stacking energy: -128.112 Base-Backbone interact. energy: 1.453 local terms energy: -209.803622 where: bonds (distance) C4'-P energy: -45.541 bonds (distance) P-C4' energy: -55.024 flat angles C4'-P-C4' energy: -49.410 flat angles P-C4'-P energy: -35.757 tors. eta vs tors. theta energy: -24.071 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: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -356.363818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.363818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.363818 (E_RNA) where: Base-Base interactions energy: -174.569 where: short stacking energy: -103.046 Base-Backbone interact. energy: 0.137 local terms energy: -181.931782 where: bonds (distance) C4'-P energy: -37.849 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -50.415 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1060.910426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.910426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.910426 (E_RNA) where: Base-Base interactions energy: -719.118 where: short stacking energy: -331.978 Base-Backbone interact. energy: -1.224 local terms energy: -340.568191 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -57.800 flat angles C4'-P-C4' energy: -75.145 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: -99.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1023.152311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.152311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.152311 (E_RNA) where: Base-Base interactions energy: -717.119 where: short stacking energy: -298.968 Base-Backbone interact. energy: 4.010 local terms energy: -310.042949 where: bonds (distance) C4'-P energy: -50.787 bonds (distance) P-C4' energy: -54.040 flat angles C4'-P-C4' energy: -70.040 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -92.552 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: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -943.201707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.201707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.201707 (E_RNA) where: Base-Base interactions energy: -638.037 where: short stacking energy: -298.753 Base-Backbone interact. energy: -0.294 local terms energy: -304.870487 where: bonds (distance) C4'-P energy: -52.641 bonds (distance) P-C4' energy: -57.771 flat angles C4'-P-C4' energy: -63.886 flat angles P-C4'-P energy: -42.649 tors. eta vs tors. theta energy: -87.923 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: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -945.308716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.308716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.308716 (E_RNA) where: Base-Base interactions energy: -656.834 where: short stacking energy: -295.128 Base-Backbone interact. energy: -0.102 local terms energy: -288.372176 where: bonds (distance) C4'-P energy: -49.971 bonds (distance) P-C4' energy: -46.698 flat angles C4'-P-C4' energy: -62.823 flat angles P-C4'-P energy: -44.373 tors. eta vs tors. theta energy: -84.507 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: 417 Temperature: 1.100000 Total energy: -929.704786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.704786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.704786 (E_RNA) where: Base-Base interactions energy: -639.182 where: short stacking energy: -292.150 Base-Backbone interact. energy: -1.152 local terms energy: -289.370347 where: bonds (distance) C4'-P energy: -46.599 bonds (distance) P-C4' energy: -64.069 flat angles C4'-P-C4' energy: -60.861 flat angles P-C4'-P energy: -30.393 tors. eta vs tors. theta energy: -87.448 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: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -856.185088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.185088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.185088 (E_RNA) where: Base-Base interactions energy: -580.640 where: short stacking energy: -262.557 Base-Backbone interact. energy: -0.604 local terms energy: -274.940832 where: bonds (distance) C4'-P energy: -56.286 bonds (distance) P-C4' energy: -54.080 flat angles C4'-P-C4' energy: -58.131 flat angles P-C4'-P energy: -36.030 tors. eta vs tors. theta energy: -70.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -768.453220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.453220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.453220 (E_RNA) where: Base-Base interactions energy: -532.626 where: short stacking energy: -219.176 Base-Backbone interact. energy: -1.642 local terms energy: -234.185358 where: bonds (distance) C4'-P energy: -44.163 bonds (distance) P-C4' energy: -53.814 flat angles C4'-P-C4' energy: -54.530 flat angles P-C4'-P energy: -35.517 tors. eta vs tors. theta energy: -46.162 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: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -591.005842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.005842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.005842 (E_RNA) where: Base-Base interactions energy: -361.645 where: short stacking energy: -165.713 Base-Backbone interact. energy: -2.080 local terms energy: -227.280900 where: bonds (distance) C4'-P energy: -55.103 bonds (distance) P-C4' energy: -51.090 flat angles C4'-P-C4' energy: -57.849 flat angles P-C4'-P energy: -28.688 tors. eta vs tors. theta energy: -34.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -401.247933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.247933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.247933 (E_RNA) where: Base-Base interactions energy: -220.046 where: short stacking energy: -119.344 Base-Backbone interact. energy: -2.057 local terms energy: -179.144722 where: bonds (distance) C4'-P energy: -50.642 bonds (distance) P-C4' energy: -25.332 flat angles C4'-P-C4' energy: -48.728 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -15.522 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: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -347.691430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.691430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.691430 (E_RNA) where: Base-Base interactions energy: -185.508 where: short stacking energy: -116.052 Base-Backbone interact. energy: -0.504 local terms energy: -161.679123 where: bonds (distance) C4'-P energy: -40.460 bonds (distance) P-C4' energy: -52.387 flat angles C4'-P-C4' energy: -24.512 flat angles P-C4'-P energy: -36.647 tors. eta vs tors. theta energy: -7.673 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: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1053.398180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.398180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.398180 (E_RNA) where: Base-Base interactions energy: -714.463 where: short stacking energy: -330.044 Base-Backbone interact. energy: -2.912 local terms energy: -336.022979 where: bonds (distance) C4'-P energy: -69.693 bonds (distance) P-C4' energy: -63.235 flat angles C4'-P-C4' energy: -68.110 flat angles P-C4'-P energy: -43.691 tors. eta vs tors. theta energy: -91.294 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: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1008.794963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.794963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.794963 (E_RNA) where: Base-Base interactions energy: -701.426 where: short stacking energy: -305.539 Base-Backbone interact. energy: -1.603 local terms energy: -305.765624 where: bonds (distance) C4'-P energy: -51.596 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -58.127 flat angles P-C4'-P energy: -44.076 tors. eta vs tors. theta energy: -88.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -958.311060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.311060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.311060 (E_RNA) where: Base-Base interactions energy: -662.860 where: short stacking energy: -296.233 Base-Backbone interact. energy: -0.635 local terms energy: -294.815408 where: bonds (distance) C4'-P energy: -38.181 bonds (distance) P-C4' energy: -61.783 flat angles C4'-P-C4' energy: -66.723 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -87.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -916.893557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.893557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.893557 (E_RNA) where: Base-Base interactions energy: -640.728 where: short stacking energy: -277.791 Base-Backbone interact. energy: 2.231 local terms energy: -278.396269 where: bonds (distance) C4'-P energy: -43.177 bonds (distance) P-C4' energy: -57.515 flat angles C4'-P-C4' energy: -54.985 flat angles P-C4'-P energy: -44.256 tors. eta vs tors. theta energy: -78.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -914.426670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.426670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.426670 (E_RNA) where: Base-Base interactions energy: -618.772 where: short stacking energy: -279.458 Base-Backbone interact. energy: -0.663 local terms energy: -294.992127 where: bonds (distance) C4'-P energy: -54.288 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -63.594 flat angles P-C4'-P energy: -39.995 tors. eta vs tors. theta energy: -84.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -872.654182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.654182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.654182 (E_RNA) where: Base-Base interactions energy: -597.127 where: short stacking energy: -278.142 Base-Backbone interact. energy: -1.875 local terms energy: -273.651888 where: bonds (distance) C4'-P energy: -47.829 bonds (distance) P-C4' energy: -54.134 flat angles C4'-P-C4' energy: -54.133 flat angles P-C4'-P energy: -35.916 tors. eta vs tors. theta energy: -81.641 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: 418 Temperature: 1.200000 Total energy: -768.932685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.932685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.932685 (E_RNA) where: Base-Base interactions energy: -522.699 where: short stacking energy: -227.433 Base-Backbone interact. energy: -0.499 local terms energy: -245.734122 where: bonds (distance) C4'-P energy: -49.648 bonds (distance) P-C4' energy: -54.103 flat angles C4'-P-C4' energy: -48.815 flat angles P-C4'-P energy: -29.867 tors. eta vs tors. theta energy: -63.300 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: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -592.412695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.412695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.412695 (E_RNA) where: Base-Base interactions energy: -393.177 where: short stacking energy: -156.197 Base-Backbone interact. energy: 0.353 local terms energy: -199.589394 where: bonds (distance) C4'-P energy: -48.858 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -46.985 flat angles P-C4'-P energy: -15.765 tors. eta vs tors. theta energy: -31.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -381.180207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.180207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.180207 (E_RNA) where: Base-Base interactions energy: -207.504 where: short stacking energy: -126.293 Base-Backbone interact. energy: 0.586 local terms energy: -174.263033 where: bonds (distance) C4'-P energy: -51.587 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -46.532 flat angles P-C4'-P energy: -19.315 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -365.317972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.317972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.317972 (E_RNA) where: Base-Base interactions energy: -184.318 where: short stacking energy: -113.713 Base-Backbone interact. energy: -1.353 local terms energy: -179.647369 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -38.997 flat angles P-C4'-P energy: -26.601 tors. eta vs tors. theta energy: 0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1054.895606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.895606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.895606 (E_RNA) where: Base-Base interactions energy: -734.587 where: short stacking energy: -333.719 Base-Backbone interact. energy: -1.130 local terms energy: -319.178541 where: bonds (distance) C4'-P energy: -58.477 bonds (distance) P-C4' energy: -57.904 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -38.136 tors. eta vs tors. theta energy: -95.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1024.232824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.232824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.232824 (E_RNA) where: Base-Base interactions energy: -701.852 where: short stacking energy: -293.457 Base-Backbone interact. energy: -0.935 local terms energy: -321.445818 where: bonds (distance) C4'-P energy: -63.497 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -66.523 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -84.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -930.868407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.868407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.868407 (E_RNA) where: Base-Base interactions energy: -639.210 where: short stacking energy: -288.199 Base-Backbone interact. energy: -0.470 local terms energy: -291.188782 where: bonds (distance) C4'-P energy: -58.908 bonds (distance) P-C4' energy: -49.758 flat angles C4'-P-C4' energy: -62.444 flat angles P-C4'-P energy: -40.684 tors. eta vs tors. theta energy: -79.395 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: 419 Temperature: 1.050000 Total energy: -963.369338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.369338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.369338 (E_RNA) where: Base-Base interactions energy: -662.400 where: short stacking energy: -306.408 Base-Backbone interact. energy: 0.803 local terms energy: -301.772744 where: bonds (distance) C4'-P energy: -62.215 bonds (distance) P-C4' energy: -52.667 flat angles C4'-P-C4' energy: -59.116 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -88.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -888.437104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.437104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.437104 (E_RNA) where: Base-Base interactions energy: -603.306 where: short stacking energy: -258.824 Base-Backbone interact. energy: -0.418 local terms energy: -284.713935 where: bonds (distance) C4'-P energy: -48.031 bonds (distance) P-C4' energy: -54.764 flat angles C4'-P-C4' energy: -67.799 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: -78.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -858.375515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.375515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.375515 (E_RNA) where: Base-Base interactions energy: -604.337 where: short stacking energy: -273.105 Base-Backbone interact. energy: 1.583 local terms energy: -255.621502 where: bonds (distance) C4'-P energy: -44.739 bonds (distance) P-C4' energy: -49.343 flat angles C4'-P-C4' energy: -53.542 flat angles P-C4'-P energy: -38.876 tors. eta vs tors. theta energy: -69.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -765.467804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.467804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.467804 (E_RNA) where: Base-Base interactions energy: -517.636 where: short stacking energy: -221.906 Base-Backbone interact. energy: -0.471 local terms energy: -247.361341 where: bonds (distance) C4'-P energy: -48.536 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -58.609 flat angles P-C4'-P energy: -27.019 tors. eta vs tors. theta energy: -52.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -567.949176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.949176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.949176 (E_RNA) where: Base-Base interactions energy: -348.985 where: short stacking energy: -169.744 Base-Backbone interact. energy: -0.827 local terms energy: -218.137514 where: bonds (distance) C4'-P energy: -53.542 bonds (distance) P-C4' energy: -42.692 flat angles C4'-P-C4' energy: -58.976 flat angles P-C4'-P energy: -25.257 tors. eta vs tors. theta energy: -37.671 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: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -361.696000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.696000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.696000 (E_RNA) where: Base-Base interactions energy: -199.276 where: short stacking energy: -111.689 Base-Backbone interact. energy: 0.065 local terms energy: -162.485878 where: bonds (distance) C4'-P energy: -40.669 bonds (distance) P-C4' energy: -40.827 flat angles C4'-P-C4' energy: -40.180 flat angles P-C4'-P energy: -20.496 tors. eta vs tors. theta energy: -20.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -380.249635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.249635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.249635 (E_RNA) where: Base-Base interactions energy: -221.473 where: short stacking energy: -131.213 Base-Backbone interact. energy: -0.751 local terms energy: -158.025757 where: bonds (distance) C4'-P energy: -43.919 bonds (distance) P-C4' energy: -33.081 flat angles C4'-P-C4' energy: -45.111 flat angles P-C4'-P energy: -22.908 tors. eta vs tors. theta energy: -13.007 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: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1054.457192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.457192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.457192 (E_RNA) where: Base-Base interactions energy: -731.683 where: short stacking energy: -308.656 Base-Backbone interact. energy: -2.124 local terms energy: -320.649911 where: bonds (distance) C4'-P energy: -60.890 bonds (distance) P-C4' energy: -55.735 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -95.027 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: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1018.828355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.828355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.828355 (E_RNA) where: Base-Base interactions energy: -696.343 where: short stacking energy: -295.078 Base-Backbone interact. energy: -0.323 local terms energy: -322.162635 where: bonds (distance) C4'-P energy: -58.043 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: -86.995 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: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -978.175444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.175444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.175444 (E_RNA) where: Base-Base interactions energy: -668.186 where: short stacking energy: -311.634 Base-Backbone interact. energy: -0.800 local terms energy: -309.190002 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -58.032 flat angles C4'-P-C4' energy: -61.544 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: -94.528 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: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -927.405558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.405558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.405558 (E_RNA) where: Base-Base interactions energy: -637.728 where: short stacking energy: -269.019 Base-Backbone interact. energy: -1.297 local terms energy: -288.380199 where: bonds (distance) C4'-P energy: -55.931 bonds (distance) P-C4' energy: -54.461 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -43.329 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: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -865.758612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.758612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.758612 (E_RNA) where: Base-Base interactions energy: -575.105 where: short stacking energy: -253.915 Base-Backbone interact. energy: -2.197 local terms energy: -288.456621 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -49.041 flat angles C4'-P-C4' energy: -61.668 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -75.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -877.411372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.411372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.411372 (E_RNA) where: Base-Base interactions energy: -594.237 where: short stacking energy: -274.730 Base-Backbone interact. energy: -1.648 local terms energy: -281.526623 where: bonds (distance) C4'-P energy: -50.758 bonds (distance) P-C4' energy: -45.834 flat angles C4'-P-C4' energy: -64.047 flat angles P-C4'-P energy: -49.557 tors. eta vs tors. theta energy: -71.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -776.364060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.364060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.364060 (E_RNA) where: Base-Base interactions energy: -522.545 where: short stacking energy: -220.045 Base-Backbone interact. energy: 0.811 local terms energy: -254.630081 where: bonds (distance) C4'-P energy: -41.534 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -65.128 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: -56.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -578.949691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.949691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.949691 (E_RNA) where: Base-Base interactions energy: -372.202 where: short stacking energy: -175.078 Base-Backbone interact. energy: 2.875 local terms energy: -209.622211 where: bonds (distance) C4'-P energy: -45.720 bonds (distance) P-C4' energy: -47.953 flat angles C4'-P-C4' energy: -51.799 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -27.006 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: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -370.378922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.378922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.378922 (E_RNA) where: Base-Base interactions energy: -194.912 where: short stacking energy: -124.109 Base-Backbone interact. energy: -0.284 local terms energy: -175.183644 where: bonds (distance) C4'-P energy: -31.917 bonds (distance) P-C4' energy: -52.002 flat angles C4'-P-C4' energy: -43.457 flat angles P-C4'-P energy: -32.916 tors. eta vs tors. theta energy: -14.892 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: 420 Temperature: 1.350000 Total energy: -338.026625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.026625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.026625 (E_RNA) where: Base-Base interactions energy: -173.645 where: short stacking energy: -110.616 Base-Backbone interact. energy: -0.656 local terms energy: -163.725405 where: bonds (distance) C4'-P energy: -42.766 bonds (distance) P-C4' energy: -48.760 flat angles C4'-P-C4' energy: -41.261 flat angles P-C4'-P energy: -21.756 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1065.858950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.858950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.858950 (E_RNA) where: Base-Base interactions energy: -749.466 where: short stacking energy: -328.895 Base-Backbone interact. energy: -0.784 local terms energy: -315.609117 where: bonds (distance) C4'-P energy: -52.954 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -41.808 tors. eta vs tors. theta energy: -92.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -997.076680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.076680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.076680 (E_RNA) where: Base-Base interactions energy: -669.422 where: short stacking energy: -305.796 Base-Backbone interact. energy: -0.547 local terms energy: -327.106810 where: bonds (distance) C4'-P energy: -60.862 bonds (distance) P-C4' energy: -54.096 flat angles C4'-P-C4' energy: -68.877 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -100.174 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: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1011.881129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.881129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.881129 (E_RNA) where: Base-Base interactions energy: -693.129 where: short stacking energy: -292.182 Base-Backbone interact. energy: 1.163 local terms energy: -319.915224 where: bonds (distance) C4'-P energy: -52.189 bonds (distance) P-C4' energy: -65.286 flat angles C4'-P-C4' energy: -66.008 flat angles P-C4'-P energy: -51.431 tors. eta vs tors. theta energy: -85.001 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: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -925.557202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.557202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.557202 (E_RNA) where: Base-Base interactions energy: -649.970 where: short stacking energy: -297.703 Base-Backbone interact. energy: 0.296 local terms energy: -275.882873 where: bonds (distance) C4'-P energy: -39.975 bonds (distance) P-C4' energy: -53.088 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -78.381 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: 421 Temperature: 1.100000 Total energy: -904.428303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.428303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.428303 (E_RNA) where: Base-Base interactions energy: -619.801 where: short stacking energy: -279.460 Base-Backbone interact. energy: -0.088 local terms energy: -284.538727 where: bonds (distance) C4'-P energy: -49.682 bonds (distance) P-C4' energy: -51.824 flat angles C4'-P-C4' energy: -59.945 flat angles P-C4'-P energy: -39.399 tors. eta vs tors. theta energy: -83.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -885.879322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.879322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.879322 (E_RNA) where: Base-Base interactions energy: -594.517 where: short stacking energy: -276.149 Base-Backbone interact. energy: -1.222 local terms energy: -290.140339 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -52.662 flat angles C4'-P-C4' energy: -64.929 flat angles P-C4'-P energy: -41.301 tors. eta vs tors. theta energy: -79.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -783.616172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.616172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.616172 (E_RNA) where: Base-Base interactions energy: -526.409 where: short stacking energy: -230.557 Base-Backbone interact. energy: -1.664 local terms energy: -255.543247 where: bonds (distance) C4'-P energy: -56.877 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -53.013 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: -60.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -585.267839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.267839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.267839 (E_RNA) where: Base-Base interactions energy: -370.295 where: short stacking energy: -178.649 Base-Backbone interact. energy: 1.723 local terms energy: -216.696491 where: bonds (distance) C4'-P energy: -39.233 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -55.667 flat angles P-C4'-P energy: -23.962 tors. eta vs tors. theta energy: -42.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -391.044016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.044016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.044016 (E_RNA) where: Base-Base interactions energy: -205.882 where: short stacking energy: -131.529 Base-Backbone interact. energy: 1.726 local terms energy: -186.887811 where: bonds (distance) C4'-P energy: -55.693 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -39.122 flat angles P-C4'-P energy: -16.599 tors. eta vs tors. theta energy: -11.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -329.656349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.656349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.656349 (E_RNA) where: Base-Base interactions energy: -174.965 where: short stacking energy: -97.312 Base-Backbone interact. energy: 9.387 local terms energy: -164.078018 where: bonds (distance) C4'-P energy: -44.498 bonds (distance) P-C4' energy: -47.449 flat angles C4'-P-C4' energy: -49.392 flat angles P-C4'-P energy: -14.680 tors. eta vs tors. theta energy: -8.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1042.203999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.203999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.203999 (E_RNA) where: Base-Base interactions energy: -728.211 where: short stacking energy: -321.320 Base-Backbone interact. energy: -1.106 local terms energy: -312.886459 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -54.709 flat angles C4'-P-C4' energy: -68.280 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -88.085 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: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1005.935213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.935213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.935213 (E_RNA) where: Base-Base interactions energy: -686.241 where: short stacking energy: -309.586 Base-Backbone interact. energy: -0.121 local terms energy: -319.574034 where: bonds (distance) C4'-P energy: -55.221 bonds (distance) P-C4' energy: -51.499 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -101.342 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: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1003.013529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.013529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.013529 (E_RNA) where: Base-Base interactions energy: -710.348 where: short stacking energy: -311.549 Base-Backbone interact. energy: -1.400 local terms energy: -291.265397 where: bonds (distance) C4'-P energy: -48.878 bonds (distance) P-C4' energy: -52.971 flat angles C4'-P-C4' energy: -62.771 flat angles P-C4'-P energy: -36.363 tors. eta vs tors. theta energy: -90.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -928.555761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.555761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.555761 (E_RNA) where: Base-Base interactions energy: -635.552 where: short stacking energy: -286.847 Base-Backbone interact. energy: -0.667 local terms energy: -292.336378 where: bonds (distance) C4'-P energy: -55.218 bonds (distance) P-C4' energy: -48.797 flat angles C4'-P-C4' energy: -68.323 flat angles P-C4'-P energy: -39.271 tors. eta vs tors. theta energy: -80.727 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: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -888.239165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.239165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.239165 (E_RNA) where: Base-Base interactions energy: -613.465 where: short stacking energy: -269.695 Base-Backbone interact. energy: 1.413 local terms energy: -276.186278 where: bonds (distance) C4'-P energy: -49.120 bonds (distance) P-C4' energy: -52.853 flat angles C4'-P-C4' energy: -50.101 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -78.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -873.604148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.604148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.604148 (E_RNA) where: Base-Base interactions energy: -609.096 where: short stacking energy: -256.920 Base-Backbone interact. energy: -0.818 local terms energy: -263.689767 where: bonds (distance) C4'-P energy: -51.788 bonds (distance) P-C4' energy: -46.527 flat angles C4'-P-C4' energy: -64.507 flat angles P-C4'-P energy: -31.401 tors. eta vs tors. theta energy: -69.467 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: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -788.106019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.106019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.106019 (E_RNA) where: Base-Base interactions energy: -536.512 where: short stacking energy: -224.479 Base-Backbone interact. energy: -1.343 local terms energy: -250.251159 where: bonds (distance) C4'-P energy: -48.097 bonds (distance) P-C4' energy: -46.833 flat angles C4'-P-C4' energy: -55.448 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -57.281 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: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -574.617739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.617739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.617739 (E_RNA) where: Base-Base interactions energy: -360.962 where: short stacking energy: -173.545 Base-Backbone interact. energy: 2.796 local terms energy: -216.451370 where: bonds (distance) C4'-P energy: -46.105 bonds (distance) P-C4' energy: -44.514 flat angles C4'-P-C4' energy: -52.807 flat angles P-C4'-P energy: -38.540 tors. eta vs tors. theta energy: -34.486 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: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -354.141329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.141329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.141329 (E_RNA) where: Base-Base interactions energy: -175.136 where: short stacking energy: -105.866 Base-Backbone interact. energy: 3.824 local terms energy: -182.829989 where: bonds (distance) C4'-P energy: -49.693 bonds (distance) P-C4' energy: -54.306 flat angles C4'-P-C4' energy: -48.812 flat angles P-C4'-P energy: -13.081 tors. eta vs tors. theta energy: -16.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -365.481244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.481244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.481244 (E_RNA) where: Base-Base interactions energy: -189.259 where: short stacking energy: -114.072 Base-Backbone interact. energy: -0.541 local terms energy: -175.681629 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -51.267 flat angles C4'-P-C4' energy: -43.814 flat angles P-C4'-P energy: -18.248 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: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1045.851238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.851238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.851238 (E_RNA) where: Base-Base interactions energy: -721.998 where: short stacking energy: -325.866 Base-Backbone interact. energy: -1.426 local terms energy: -322.427185 where: bonds (distance) C4'-P energy: -61.103 bonds (distance) P-C4' energy: -54.567 flat angles C4'-P-C4' energy: -66.794 flat angles P-C4'-P energy: -49.979 tors. eta vs tors. theta energy: -89.984 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: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1042.550359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.550359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.550359 (E_RNA) where: Base-Base interactions energy: -727.655 where: short stacking energy: -295.537 Base-Backbone interact. energy: -1.659 local terms energy: -313.236273 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -54.785 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -87.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -970.446246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.446246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.446246 (E_RNA) where: Base-Base interactions energy: -673.787 where: short stacking energy: -292.449 Base-Backbone interact. energy: -0.502 local terms energy: -296.157511 where: bonds (distance) C4'-P energy: -60.030 bonds (distance) P-C4' energy: -58.358 flat angles C4'-P-C4' energy: -60.462 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -75.663 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: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -928.650466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.650466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.650466 (E_RNA) where: Base-Base interactions energy: -621.916 where: short stacking energy: -281.576 Base-Backbone interact. energy: -0.171 local terms energy: -306.562943 where: bonds (distance) C4'-P energy: -51.881 bonds (distance) P-C4' energy: -62.737 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -42.517 tors. eta vs tors. theta energy: -85.705 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: 423 Temperature: 1.100000 Total energy: -876.579134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.579134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.579134 (E_RNA) where: Base-Base interactions energy: -592.811 where: short stacking energy: -255.505 Base-Backbone interact. energy: 0.052 local terms energy: -283.820215 where: bonds (distance) C4'-P energy: -49.857 bonds (distance) P-C4' energy: -63.833 flat angles C4'-P-C4' energy: -56.727 flat angles P-C4'-P energy: -40.283 tors. eta vs tors. theta energy: -73.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -915.203690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.203690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.203690 (E_RNA) where: Base-Base interactions energy: -610.979 where: short stacking energy: -277.693 Base-Backbone interact. energy: -1.898 local terms energy: -302.326376 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -52.274 flat angles C4'-P-C4' energy: -57.273 flat angles P-C4'-P energy: -43.303 tors. eta vs tors. theta energy: -85.764 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: 423 Temperature: 1.200000 Total energy: -752.739074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.739074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.739074 (E_RNA) where: Base-Base interactions energy: -495.921 where: short stacking energy: -219.801 Base-Backbone interact. energy: -2.009 local terms energy: -254.809375 where: bonds (distance) C4'-P energy: -49.375 bonds (distance) P-C4' energy: -56.147 flat angles C4'-P-C4' energy: -62.138 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: -52.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -590.084706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.084706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.084706 (E_RNA) where: Base-Base interactions energy: -361.803 where: short stacking energy: -169.957 Base-Backbone interact. energy: -1.174 local terms energy: -227.107913 where: bonds (distance) C4'-P energy: -48.648 bonds (distance) P-C4' energy: -51.072 flat angles C4'-P-C4' energy: -57.677 flat angles P-C4'-P energy: -35.043 tors. eta vs tors. theta energy: -34.668 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: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -342.979762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.979762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.979762 (E_RNA) where: Base-Base interactions energy: -161.416 where: short stacking energy: -104.221 Base-Backbone interact. energy: -0.847 local terms energy: -180.716696 where: bonds (distance) C4'-P energy: -50.989 bonds (distance) P-C4' energy: -55.864 flat angles C4'-P-C4' energy: -42.760 flat angles P-C4'-P energy: -26.260 tors. eta vs tors. theta energy: -4.844 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: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -359.485179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.485179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.485179 (E_RNA) where: Base-Base interactions energy: -178.138 where: short stacking energy: -104.902 Base-Backbone interact. energy: 3.664 local terms energy: -185.011165 where: bonds (distance) C4'-P energy: -47.752 bonds (distance) P-C4' energy: -55.752 flat angles C4'-P-C4' energy: -46.698 flat angles P-C4'-P energy: -35.396 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: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1045.748665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.748665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.748665 (E_RNA) where: Base-Base interactions energy: -705.492 where: short stacking energy: -318.280 Base-Backbone interact. energy: -2.598 local terms energy: -337.658932 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -57.767 flat angles C4'-P-C4' energy: -64.159 flat angles P-C4'-P energy: -51.540 tors. eta vs tors. theta energy: -99.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1030.010927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.010927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.010927 (E_RNA) where: Base-Base interactions energy: -710.038 where: short stacking energy: -295.881 Base-Backbone interact. energy: 0.291 local terms energy: -320.263424 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -41.339 tors. eta vs tors. theta energy: -84.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -957.447241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.447241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.447241 (E_RNA) where: Base-Base interactions energy: -668.378 where: short stacking energy: -295.379 Base-Backbone interact. energy: -0.084 local terms energy: -288.985161 where: bonds (distance) C4'-P energy: -49.959 bonds (distance) P-C4' energy: -56.890 flat angles C4'-P-C4' energy: -62.916 flat angles P-C4'-P energy: -34.637 tors. eta vs tors. theta energy: -84.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -929.441213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.441213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.441213 (E_RNA) where: Base-Base interactions energy: -651.293 where: short stacking energy: -286.459 Base-Backbone interact. energy: 3.096 local terms energy: -281.244000 where: bonds (distance) C4'-P energy: -47.886 bonds (distance) P-C4' energy: -48.106 flat angles C4'-P-C4' energy: -59.977 flat angles P-C4'-P energy: -39.843 tors. eta vs tors. theta energy: -85.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -914.800850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.800850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.800850 (E_RNA) where: Base-Base interactions energy: -628.995 where: short stacking energy: -261.714 Base-Backbone interact. energy: -0.163 local terms energy: -285.643012 where: bonds (distance) C4'-P energy: -50.310 bonds (distance) P-C4' energy: -63.949 flat angles C4'-P-C4' energy: -59.470 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: -71.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -881.691588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.691588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.691588 (E_RNA) where: Base-Base interactions energy: -595.964 where: short stacking energy: -253.427 Base-Backbone interact. energy: -2.008 local terms energy: -283.719440 where: bonds (distance) C4'-P energy: -53.040 bonds (distance) P-C4' energy: -44.598 flat angles C4'-P-C4' energy: -56.233 flat angles P-C4'-P energy: -45.440 tors. eta vs tors. theta energy: -84.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -751.456302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.456302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.456302 (E_RNA) where: Base-Base interactions energy: -506.910 where: short stacking energy: -237.485 Base-Backbone interact. energy: 2.663 local terms energy: -247.208708 where: bonds (distance) C4'-P energy: -39.305 bonds (distance) P-C4' energy: -55.283 flat angles C4'-P-C4' energy: -59.636 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: -52.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -585.447406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.447406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.447406 (E_RNA) where: Base-Base interactions energy: -364.539 where: short stacking energy: -166.602 Base-Backbone interact. energy: 7.315 local terms energy: -228.222895 where: bonds (distance) C4'-P energy: -53.501 bonds (distance) P-C4' energy: -58.123 flat angles C4'-P-C4' energy: -56.822 flat angles P-C4'-P energy: -32.096 tors. eta vs tors. theta energy: -27.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -371.481015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.481015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.481015 (E_RNA) where: Base-Base interactions energy: -188.783 where: short stacking energy: -120.616 Base-Backbone interact. energy: -1.607 local terms energy: -181.090669 where: bonds (distance) C4'-P energy: -50.780 bonds (distance) P-C4' energy: -44.460 flat angles C4'-P-C4' energy: -44.015 flat angles P-C4'-P energy: -37.668 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -296.306110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.306110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.306110 (E_RNA) where: Base-Base interactions energy: -137.676 where: short stacking energy: -97.294 Base-Backbone interact. energy: 0.455 local terms energy: -159.084961 where: bonds (distance) C4'-P energy: -45.712 bonds (distance) P-C4' energy: -49.085 flat angles C4'-P-C4' energy: -46.530 flat angles P-C4'-P energy: -17.227 tors. eta vs tors. theta energy: -0.532 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: 425 Temperature: 0.900000 Total energy: -1027.269397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.269397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.269397 (E_RNA) where: Base-Base interactions energy: -682.413 where: short stacking energy: -308.954 Base-Backbone interact. energy: -1.836 local terms energy: -343.020250 where: bonds (distance) C4'-P energy: -65.754 bonds (distance) P-C4' energy: -67.106 flat angles C4'-P-C4' energy: -71.525 flat angles P-C4'-P energy: -45.079 tors. eta vs tors. theta energy: -93.555 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: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -989.118848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.118848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.118848 (E_RNA) where: Base-Base interactions energy: -688.047 where: short stacking energy: -278.919 Base-Backbone interact. energy: -1.233 local terms energy: -299.839214 where: bonds (distance) C4'-P energy: -48.578 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -34.689 tors. eta vs tors. theta energy: -81.409 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: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -979.811410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.811410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.811410 (E_RNA) where: Base-Base interactions energy: -678.795 where: short stacking energy: -293.526 Base-Backbone interact. energy: -1.717 local terms energy: -299.299697 where: bonds (distance) C4'-P energy: -50.746 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: -83.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -953.636272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.636272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.636272 (E_RNA) where: Base-Base interactions energy: -651.321 where: short stacking energy: -289.733 Base-Backbone interact. energy: -2.186 local terms energy: -300.129444 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -54.454 flat angles C4'-P-C4' energy: -59.934 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: -89.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -912.644695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.644695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.644695 (E_RNA) where: Base-Base interactions energy: -629.079 where: short stacking energy: -267.784 Base-Backbone interact. energy: -2.661 local terms energy: -280.904659 where: bonds (distance) C4'-P energy: -48.280 bonds (distance) P-C4' energy: -53.367 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -31.332 tors. eta vs tors. theta energy: -83.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -878.583659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.583659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.583659 (E_RNA) where: Base-Base interactions energy: -608.285 where: short stacking energy: -256.787 Base-Backbone interact. energy: -2.449 local terms energy: -267.849630 where: bonds (distance) C4'-P energy: -36.633 bonds (distance) P-C4' energy: -49.670 flat angles C4'-P-C4' energy: -62.584 flat angles P-C4'-P energy: -33.251 tors. eta vs tors. theta energy: -85.712 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: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -758.820160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.820160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.820160 (E_RNA) where: Base-Base interactions energy: -501.496 where: short stacking energy: -220.704 Base-Backbone interact. energy: 1.381 local terms energy: -258.704643 where: bonds (distance) C4'-P energy: -50.476 bonds (distance) P-C4' energy: -60.044 flat angles C4'-P-C4' energy: -45.633 flat angles P-C4'-P energy: -36.706 tors. eta vs tors. theta energy: -65.844 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: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -611.153877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.153877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.153877 (E_RNA) where: Base-Base interactions energy: -382.808 where: short stacking energy: -176.311 Base-Backbone interact. energy: -0.182 local terms energy: -228.163827 where: bonds (distance) C4'-P energy: -47.467 bonds (distance) P-C4' energy: -51.974 flat angles C4'-P-C4' energy: -52.767 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -44.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -383.534321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.534321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.534321 (E_RNA) where: Base-Base interactions energy: -190.181 where: short stacking energy: -111.205 Base-Backbone interact. energy: -0.682 local terms energy: -192.670659 where: bonds (distance) C4'-P energy: -44.891 bonds (distance) P-C4' energy: -54.109 flat angles C4'-P-C4' energy: -49.145 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -4.819 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: 425 Temperature: 1.350000 Total energy: -299.771731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.771731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.771731 (E_RNA) where: Base-Base interactions energy: -134.587 where: short stacking energy: -96.666 Base-Backbone interact. energy: 0.355 local terms energy: -165.540307 where: bonds (distance) C4'-P energy: -48.617 bonds (distance) P-C4' energy: -49.800 flat angles C4'-P-C4' energy: -32.547 flat angles P-C4'-P energy: -25.773 tors. eta vs tors. theta energy: -8.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1049.135211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.135211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.135211 (E_RNA) where: Base-Base interactions energy: -718.806 where: short stacking energy: -319.146 Base-Backbone interact. energy: -0.139 local terms energy: -330.190153 where: bonds (distance) C4'-P energy: -54.739 bonds (distance) P-C4' energy: -66.711 flat angles C4'-P-C4' energy: -67.605 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -100.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1010.680224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.680224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.680224 (E_RNA) where: Base-Base interactions energy: -690.089 where: short stacking energy: -306.292 Base-Backbone interact. energy: -2.915 local terms energy: -317.677049 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -53.075 flat angles C4'-P-C4' energy: -63.782 flat angles P-C4'-P energy: -54.120 tors. eta vs tors. theta energy: -88.011 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: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -999.896055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.896055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.896055 (E_RNA) where: Base-Base interactions energy: -698.718 where: short stacking energy: -315.174 Base-Backbone interact. energy: -0.423 local terms energy: -300.754615 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -45.795 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -91.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -945.907819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.907819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.907819 (E_RNA) where: Base-Base interactions energy: -653.621 where: short stacking energy: -296.543 Base-Backbone interact. energy: 2.439 local terms energy: -294.725639 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -53.393 flat angles C4'-P-C4' energy: -63.848 flat angles P-C4'-P energy: -39.627 tors. eta vs tors. theta energy: -82.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -938.302763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.302763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.302763 (E_RNA) where: Base-Base interactions energy: -660.209 where: short stacking energy: -299.918 Base-Backbone interact. energy: -0.570 local terms energy: -277.524112 where: bonds (distance) C4'-P energy: -50.532 bonds (distance) P-C4' energy: -53.246 flat angles C4'-P-C4' energy: -57.270 flat angles P-C4'-P energy: -33.461 tors. eta vs tors. theta energy: -83.015 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: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -887.550611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.550611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.550611 (E_RNA) where: Base-Base interactions energy: -599.717 where: short stacking energy: -273.901 Base-Backbone interact. energy: -0.765 local terms energy: -287.068599 where: bonds (distance) C4'-P energy: -51.639 bonds (distance) P-C4' energy: -54.387 flat angles C4'-P-C4' energy: -60.911 flat angles P-C4'-P energy: -38.606 tors. eta vs tors. theta energy: -81.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -744.044102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.044102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.044102 (E_RNA) where: Base-Base interactions energy: -502.724 where: short stacking energy: -225.107 Base-Backbone interact. energy: -1.191 local terms energy: -240.129286 where: bonds (distance) C4'-P energy: -45.399 bonds (distance) P-C4' energy: -43.884 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -39.025 tors. eta vs tors. theta energy: -59.832 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: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -557.602774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.602774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.602774 (E_RNA) where: Base-Base interactions energy: -335.940 where: short stacking energy: -137.995 Base-Backbone interact. energy: -1.002 local terms energy: -220.660697 where: bonds (distance) C4'-P energy: -54.833 bonds (distance) P-C4' energy: -58.165 flat angles C4'-P-C4' energy: -55.226 flat angles P-C4'-P energy: -30.895 tors. eta vs tors. theta energy: -21.541 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: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -357.129909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.129909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.129909 (E_RNA) where: Base-Base interactions energy: -161.953 where: short stacking energy: -111.005 Base-Backbone interact. energy: -0.802 local terms energy: -194.375757 where: bonds (distance) C4'-P energy: -48.421 bonds (distance) P-C4' energy: -46.830 flat angles C4'-P-C4' energy: -51.663 flat angles P-C4'-P energy: -35.370 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -341.362189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.362189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.362189 (E_RNA) where: Base-Base interactions energy: -152.176 where: short stacking energy: -92.008 Base-Backbone interact. energy: -1.746 local terms energy: -187.440187 where: bonds (distance) C4'-P energy: -50.098 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -37.840 flat angles P-C4'-P energy: -32.691 tors. eta vs tors. theta energy: -10.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1021.094895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.094895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.094895 (E_RNA) where: Base-Base interactions energy: -701.570 where: short stacking energy: -315.123 Base-Backbone interact. energy: -0.316 local terms energy: -319.209474 where: bonds (distance) C4'-P energy: -56.112 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -66.972 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -94.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1013.145439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.145439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.145439 (E_RNA) where: Base-Base interactions energy: -698.720 where: short stacking energy: -310.440 Base-Backbone interact. energy: -0.241 local terms energy: -314.184257 where: bonds (distance) C4'-P energy: -51.915 bonds (distance) P-C4' energy: -63.298 flat angles C4'-P-C4' energy: -66.420 flat angles P-C4'-P energy: -38.776 tors. eta vs tors. theta energy: -93.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -973.605020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.605020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.605020 (E_RNA) where: Base-Base interactions energy: -659.915 where: short stacking energy: -297.401 Base-Backbone interact. energy: 0.436 local terms energy: -314.125724 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -51.994 flat angles C4'-P-C4' energy: -62.835 flat angles P-C4'-P energy: -49.990 tors. eta vs tors. theta energy: -89.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -958.458089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.458089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.458089 (E_RNA) where: Base-Base interactions energy: -659.815 where: short stacking energy: -314.399 Base-Backbone interact. energy: -1.043 local terms energy: -297.599875 where: bonds (distance) C4'-P energy: -48.413 bonds (distance) P-C4' energy: -53.747 flat angles C4'-P-C4' energy: -59.340 flat angles P-C4'-P energy: -43.284 tors. eta vs tors. theta energy: -92.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -945.329335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.329335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.329335 (E_RNA) where: Base-Base interactions energy: -647.244 where: short stacking energy: -286.668 Base-Backbone interact. energy: -1.858 local terms energy: -296.227696 where: bonds (distance) C4'-P energy: -55.475 bonds (distance) P-C4' energy: -53.559 flat angles C4'-P-C4' energy: -59.353 flat angles P-C4'-P energy: -42.697 tors. eta vs tors. theta energy: -85.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -868.920915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.920915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.920915 (E_RNA) where: Base-Base interactions energy: -603.134 where: short stacking energy: -282.747 Base-Backbone interact. energy: -0.613 local terms energy: -265.173647 where: bonds (distance) C4'-P energy: -52.462 bonds (distance) P-C4' energy: -45.791 flat angles C4'-P-C4' energy: -56.152 flat angles P-C4'-P energy: -35.448 tors. eta vs tors. theta energy: -75.322 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: 427 Temperature: 1.200000 Total energy: -763.063206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.063206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.063206 (E_RNA) where: Base-Base interactions energy: -520.952 where: short stacking energy: -211.346 Base-Backbone interact. energy: 2.671 local terms energy: -244.782109 where: bonds (distance) C4'-P energy: -48.796 bonds (distance) P-C4' energy: -48.634 flat angles C4'-P-C4' energy: -65.716 flat angles P-C4'-P energy: -30.202 tors. eta vs tors. theta energy: -51.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -584.441556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.441556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.441556 (E_RNA) where: Base-Base interactions energy: -360.359 where: short stacking energy: -190.362 Base-Backbone interact. energy: 1.541 local terms energy: -225.623712 where: bonds (distance) C4'-P energy: -41.712 bonds (distance) P-C4' energy: -50.832 flat angles C4'-P-C4' energy: -57.899 flat angles P-C4'-P energy: -31.777 tors. eta vs tors. theta energy: -43.403 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: 427 Temperature: 1.300000 Total energy: -326.907328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.907328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.907328 (E_RNA) where: Base-Base interactions energy: -150.658 where: short stacking energy: -109.269 Base-Backbone interact. energy: 2.071 local terms energy: -178.320379 where: bonds (distance) C4'-P energy: -46.857 bonds (distance) P-C4' energy: -47.533 flat angles C4'-P-C4' energy: -46.694 flat angles P-C4'-P energy: -24.807 tors. eta vs tors. theta energy: -12.429 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: 10, replica: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -368.998959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.998959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.998959 (E_RNA) where: Base-Base interactions energy: -198.321 where: short stacking energy: -111.896 Base-Backbone interact. energy: -1.541 local terms energy: -169.137252 where: bonds (distance) C4'-P energy: -46.162 bonds (distance) P-C4' energy: -46.858 flat angles C4'-P-C4' energy: -38.022 flat angles P-C4'-P energy: -31.219 tors. eta vs tors. theta energy: -6.877 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: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1020.127884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.127884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.127884 (E_RNA) where: Base-Base interactions energy: -700.091 where: short stacking energy: -335.382 Base-Backbone interact. energy: 0.427 local terms energy: -320.463638 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -58.349 flat angles C4'-P-C4' energy: -63.669 flat angles P-C4'-P energy: -43.110 tors. eta vs tors. theta energy: -94.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -993.824861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.824861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.824861 (E_RNA) where: Base-Base interactions energy: -683.395 where: short stacking energy: -289.555 Base-Backbone interact. energy: -0.077 local terms energy: -310.352179 where: bonds (distance) C4'-P energy: -52.088 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -65.375 flat angles P-C4'-P energy: -40.245 tors. eta vs tors. theta energy: -87.579 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: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -959.892404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.892404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.892404 (E_RNA) where: Base-Base interactions energy: -653.260 where: short stacking energy: -286.064 Base-Backbone interact. energy: -0.860 local terms energy: -305.772730 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -52.179 flat angles C4'-P-C4' energy: -59.233 flat angles P-C4'-P energy: -39.143 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: 4, replica: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -946.551607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.551607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.551607 (E_RNA) where: Base-Base interactions energy: -650.128 where: short stacking energy: -293.340 Base-Backbone interact. energy: -0.315 local terms energy: -296.108177 where: bonds (distance) C4'-P energy: -41.511 bonds (distance) P-C4' energy: -51.853 flat angles C4'-P-C4' energy: -69.970 flat angles P-C4'-P energy: -41.668 tors. eta vs tors. theta energy: -91.107 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: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -886.889704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.889704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.889704 (E_RNA) where: Base-Base interactions energy: -600.775 where: short stacking energy: -282.286 Base-Backbone interact. energy: -0.189 local terms energy: -285.925031 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -54.206 flat angles C4'-P-C4' energy: -58.055 flat angles P-C4'-P energy: -39.012 tors. eta vs tors. theta energy: -77.052 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: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -913.764951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.764951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.764951 (E_RNA) where: Base-Base interactions energy: -616.872 where: short stacking energy: -272.863 Base-Backbone interact. energy: -1.139 local terms energy: -295.754689 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -51.341 flat angles C4'-P-C4' energy: -65.125 flat angles P-C4'-P energy: -39.548 tors. eta vs tors. theta energy: -82.320 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: 428 Temperature: 1.200000 Total energy: -761.424095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.424095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.424095 (E_RNA) where: Base-Base interactions energy: -504.149 where: short stacking energy: -205.976 Base-Backbone interact. energy: -0.618 local terms energy: -256.656835 where: bonds (distance) C4'-P energy: -52.044 bonds (distance) P-C4' energy: -54.687 flat angles C4'-P-C4' energy: -63.707 flat angles P-C4'-P energy: -33.189 tors. eta vs tors. theta energy: -53.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -645.940573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.940573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.940573 (E_RNA) where: Base-Base interactions energy: -405.745 where: short stacking energy: -187.195 Base-Backbone interact. energy: 1.539 local terms energy: -241.734747 where: bonds (distance) C4'-P energy: -51.985 bonds (distance) P-C4' energy: -56.065 flat angles C4'-P-C4' energy: -60.868 flat angles P-C4'-P energy: -36.132 tors. eta vs tors. theta energy: -36.686 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: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -404.884589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.884589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.884589 (E_RNA) where: Base-Base interactions energy: -205.907 where: short stacking energy: -117.647 Base-Backbone interact. energy: -1.711 local terms energy: -197.266531 where: bonds (distance) C4'-P energy: -51.518 bonds (distance) P-C4' energy: -53.814 flat angles C4'-P-C4' energy: -49.299 flat angles P-C4'-P energy: -30.330 tors. eta vs tors. theta energy: -12.306 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: 428 Temperature: 1.350000 Total energy: -282.194118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.194118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.194118 (E_RNA) where: Base-Base interactions energy: -112.761 where: short stacking energy: -86.386 Base-Backbone interact. energy: -0.772 local terms energy: -168.661180 where: bonds (distance) C4'-P energy: -52.844 bonds (distance) P-C4' energy: -49.317 flat angles C4'-P-C4' energy: -40.494 flat angles P-C4'-P energy: -17.554 tors. eta vs tors. theta energy: -8.453 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: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1041.445762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.445762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.445762 (E_RNA) where: Base-Base interactions energy: -711.515 where: short stacking energy: -327.061 Base-Backbone interact. energy: -2.007 local terms energy: -327.923596 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -63.492 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -47.585 tors. eta vs tors. theta energy: -95.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1025.903430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.903430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.903430 (E_RNA) where: Base-Base interactions energy: -700.968 where: short stacking energy: -301.241 Base-Backbone interact. energy: -1.067 local terms energy: -323.868107 where: bonds (distance) C4'-P energy: -61.297 bonds (distance) P-C4' energy: -59.405 flat angles C4'-P-C4' energy: -60.401 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -93.754 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: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -964.559725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.559725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.559725 (E_RNA) where: Base-Base interactions energy: -656.831 where: short stacking energy: -301.884 Base-Backbone interact. energy: -0.333 local terms energy: -307.395191 where: bonds (distance) C4'-P energy: -53.047 bonds (distance) P-C4' energy: -55.516 flat angles C4'-P-C4' energy: -66.368 flat angles P-C4'-P energy: -44.109 tors. eta vs tors. theta energy: -88.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -910.948209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.948209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.948209 (E_RNA) where: Base-Base interactions energy: -609.574 where: short stacking energy: -285.276 Base-Backbone interact. energy: -0.079 local terms energy: -301.294873 where: bonds (distance) C4'-P energy: -52.526 bonds (distance) P-C4' energy: -58.923 flat angles C4'-P-C4' energy: -65.482 flat angles P-C4'-P energy: -41.775 tors. eta vs tors. theta energy: -82.588 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: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -911.706244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.706244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.706244 (E_RNA) where: Base-Base interactions energy: -630.024 where: short stacking energy: -269.841 Base-Backbone interact. energy: -0.765 local terms energy: -280.916721 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -48.969 flat angles C4'-P-C4' energy: -62.234 flat angles P-C4'-P energy: -37.606 tors. eta vs tors. theta energy: -77.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -914.448895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.448895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.448895 (E_RNA) where: Base-Base interactions energy: -647.889 where: short stacking energy: -277.925 Base-Backbone interact. energy: -0.178 local terms energy: -266.381881 where: bonds (distance) C4'-P energy: -42.634 bonds (distance) P-C4' energy: -53.535 flat angles C4'-P-C4' energy: -56.357 flat angles P-C4'-P energy: -29.957 tors. eta vs tors. theta energy: -83.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -731.171026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.171026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.171026 (E_RNA) where: Base-Base interactions energy: -492.560 where: short stacking energy: -226.053 Base-Backbone interact. energy: 7.136 local terms energy: -245.746964 where: bonds (distance) C4'-P energy: -61.861 bonds (distance) P-C4' energy: -42.671 flat angles C4'-P-C4' energy: -46.164 flat angles P-C4'-P energy: -36.416 tors. eta vs tors. theta energy: -58.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -644.189022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.189022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.189022 (E_RNA) where: Base-Base interactions energy: -421.511 where: short stacking energy: -200.655 Base-Backbone interact. energy: 0.861 local terms energy: -223.538669 where: bonds (distance) C4'-P energy: -50.918 bonds (distance) P-C4' energy: -51.083 flat angles C4'-P-C4' energy: -45.550 flat angles P-C4'-P energy: -31.712 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: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -437.364074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.364074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.364074 (E_RNA) where: Base-Base interactions energy: -250.581 where: short stacking energy: -130.182 Base-Backbone interact. energy: -1.121 local terms energy: -185.662318 where: bonds (distance) C4'-P energy: -43.393 bonds (distance) P-C4' energy: -47.745 flat angles C4'-P-C4' energy: -38.993 flat angles P-C4'-P energy: -35.099 tors. eta vs tors. theta energy: -20.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -253.071312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.071312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.071312 (E_RNA) where: Base-Base interactions energy: -95.493 where: short stacking energy: -84.935 Base-Backbone interact. energy: -1.044 local terms energy: -156.534869 where: bonds (distance) C4'-P energy: -40.186 bonds (distance) P-C4' energy: -46.657 flat angles C4'-P-C4' energy: -33.658 flat angles P-C4'-P energy: -34.420 tors. eta vs tors. theta energy: -1.614 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: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1047.481998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.481998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.481998 (E_RNA) where: Base-Base interactions energy: -723.782 where: short stacking energy: -331.831 Base-Backbone interact. energy: -0.325 local terms energy: -323.374821 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -53.085 flat angles C4'-P-C4' energy: -71.303 flat angles P-C4'-P energy: -36.942 tors. eta vs tors. theta energy: -95.889 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: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1036.476916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.476916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.476916 (E_RNA) where: Base-Base interactions energy: -722.601 where: short stacking energy: -313.233 Base-Backbone interact. energy: -2.407 local terms energy: -311.468637 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -59.464 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: -86.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -952.977857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.977857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.977857 (E_RNA) where: Base-Base interactions energy: -631.925 where: short stacking energy: -306.066 Base-Backbone interact. energy: 0.837 local terms energy: -321.890098 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -62.961 flat angles C4'-P-C4' energy: -61.048 flat angles P-C4'-P energy: -41.599 tors. eta vs tors. theta energy: -92.614 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: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -903.437234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.437234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.437234 (E_RNA) where: Base-Base interactions energy: -605.959 where: short stacking energy: -284.806 Base-Backbone interact. energy: -1.525 local terms energy: -295.953103 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -55.890 flat angles C4'-P-C4' energy: -67.877 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: -77.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -956.372590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.372590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.372590 (E_RNA) where: Base-Base interactions energy: -666.873 where: short stacking energy: -289.456 Base-Backbone interact. energy: -0.825 local terms energy: -288.674681 where: bonds (distance) C4'-P energy: -56.736 bonds (distance) P-C4' energy: -53.735 flat angles C4'-P-C4' energy: -54.308 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -80.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -874.024730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.024730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.024730 (E_RNA) where: Base-Base interactions energy: -597.560 where: short stacking energy: -280.362 Base-Backbone interact. energy: -1.702 local terms energy: -274.763076 where: bonds (distance) C4'-P energy: -54.658 bonds (distance) P-C4' energy: -48.610 flat angles C4'-P-C4' energy: -60.398 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -76.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -736.787656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.787656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.787656 (E_RNA) where: Base-Base interactions energy: -510.745 where: short stacking energy: -224.910 Base-Backbone interact. energy: 0.675 local terms energy: -226.716981 where: bonds (distance) C4'-P energy: -44.495 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -46.871 flat angles P-C4'-P energy: -32.788 tors. eta vs tors. theta energy: -46.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -572.481531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.481531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.481531 (E_RNA) where: Base-Base interactions energy: -377.156 where: short stacking energy: -162.354 Base-Backbone interact. energy: -1.426 local terms energy: -193.898989 where: bonds (distance) C4'-P energy: -47.554 bonds (distance) P-C4' energy: -45.370 flat angles C4'-P-C4' energy: -40.217 flat angles P-C4'-P energy: -31.081 tors. eta vs tors. theta energy: -29.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -438.713641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.713641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.713641 (E_RNA) where: Base-Base interactions energy: -237.941 where: short stacking energy: -128.449 Base-Backbone interact. energy: -1.466 local terms energy: -199.306240 where: bonds (distance) C4'-P energy: -49.516 bonds (distance) P-C4' energy: -56.064 flat angles C4'-P-C4' energy: -54.649 flat angles P-C4'-P energy: -26.064 tors. eta vs tors. theta energy: -13.014 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: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -268.770587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.770587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.770587 (E_RNA) where: Base-Base interactions energy: -105.622 where: short stacking energy: -86.890 Base-Backbone interact. energy: 0.074 local terms energy: -163.222959 where: bonds (distance) C4'-P energy: -40.113 bonds (distance) P-C4' energy: -46.432 flat angles C4'-P-C4' energy: -48.536 flat angles P-C4'-P energy: -25.733 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1034.085489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.085489 (E_RNA) where: Base-Base interactions energy: -706.018 where: short stacking energy: -315.467 Base-Backbone interact. energy: -1.361 local terms energy: -326.706300 where: bonds (distance) C4'-P energy: -53.189 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -68.725 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -99.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1020.025487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.025487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.025487 (E_RNA) where: Base-Base interactions energy: -708.799 where: short stacking energy: -302.356 Base-Backbone interact. energy: -2.241 local terms energy: -308.985468 where: bonds (distance) C4'-P energy: -54.588 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -66.555 flat angles P-C4'-P energy: -49.221 tors. eta vs tors. theta energy: -81.124 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: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -955.253719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.253719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.253719 (E_RNA) where: Base-Base interactions energy: -642.818 where: short stacking energy: -292.463 Base-Backbone interact. energy: -0.259 local terms energy: -312.176718 where: bonds (distance) C4'-P energy: -51.360 bonds (distance) P-C4' energy: -55.474 flat angles C4'-P-C4' energy: -63.768 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -90.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -900.948992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.948992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.948992 (E_RNA) where: Base-Base interactions energy: -609.760 where: short stacking energy: -284.048 Base-Backbone interact. energy: 0.418 local terms energy: -291.606709 where: bonds (distance) C4'-P energy: -56.474 bonds (distance) P-C4' energy: -63.480 flat angles C4'-P-C4' energy: -55.874 flat angles P-C4'-P energy: -36.665 tors. eta vs tors. theta energy: -79.114 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: 431 Temperature: 1.100000 Total energy: -959.058834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.058834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.058834 (E_RNA) where: Base-Base interactions energy: -665.765 where: short stacking energy: -286.359 Base-Backbone interact. energy: 0.015 local terms energy: -293.308285 where: bonds (distance) C4'-P energy: -46.549 bonds (distance) P-C4' energy: -60.798 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -45.558 tors. eta vs tors. theta energy: -73.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -844.873435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.873435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.873435 (E_RNA) where: Base-Base interactions energy: -561.611 where: short stacking energy: -240.222 Base-Backbone interact. energy: -0.643 local terms energy: -282.619277 where: bonds (distance) C4'-P energy: -48.226 bonds (distance) P-C4' energy: -54.748 flat angles C4'-P-C4' energy: -66.260 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -71.916 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: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -733.751111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.751111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.751111 (E_RNA) where: Base-Base interactions energy: -493.878 where: short stacking energy: -229.260 Base-Backbone interact. energy: -0.847 local terms energy: -239.025433 where: bonds (distance) C4'-P energy: -52.914 bonds (distance) P-C4' energy: -53.885 flat angles C4'-P-C4' energy: -58.423 flat angles P-C4'-P energy: -27.852 tors. eta vs tors. theta energy: -45.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -561.409545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.409545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.409545 (E_RNA) where: Base-Base interactions energy: -358.960 where: short stacking energy: -177.378 Base-Backbone interact. energy: 3.216 local terms energy: -205.665508 where: bonds (distance) C4'-P energy: -41.706 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -47.013 flat angles P-C4'-P energy: -29.840 tors. eta vs tors. theta energy: -30.387 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: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -409.074042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.074042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.074042 (E_RNA) where: Base-Base interactions energy: -234.970 where: short stacking energy: -125.648 Base-Backbone interact. energy: 0.431 local terms energy: -174.535363 where: bonds (distance) C4'-P energy: -51.273 bonds (distance) P-C4' energy: -43.702 flat angles C4'-P-C4' energy: -42.413 flat angles P-C4'-P energy: -23.493 tors. eta vs tors. theta energy: -13.655 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: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -265.001207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.001207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.001207 (E_RNA) where: Base-Base interactions energy: -84.901 where: short stacking energy: -80.131 Base-Backbone interact. energy: 2.567 local terms energy: -182.666598 where: bonds (distance) C4'-P energy: -52.911 bonds (distance) P-C4' energy: -57.599 flat angles C4'-P-C4' energy: -32.441 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -1.915 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: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1047.477169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.477169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.477169 (E_RNA) where: Base-Base interactions energy: -709.390 where: short stacking energy: -313.863 Base-Backbone interact. energy: -1.461 local terms energy: -336.625636 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -67.104 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -96.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1022.032257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.032257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.032257 (E_RNA) where: Base-Base interactions energy: -710.011 where: short stacking energy: -317.462 Base-Backbone interact. energy: -1.237 local terms energy: -310.784329 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -55.684 flat angles C4'-P-C4' energy: -62.507 flat angles P-C4'-P energy: -46.563 tors. eta vs tors. theta energy: -86.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -948.970511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.970511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.970511 (E_RNA) where: Base-Base interactions energy: -643.792 where: short stacking energy: -301.798 Base-Backbone interact. energy: 1.551 local terms energy: -306.729710 where: bonds (distance) C4'-P energy: -52.845 bonds (distance) P-C4' energy: -55.739 flat angles C4'-P-C4' energy: -61.436 flat angles P-C4'-P energy: -47.875 tors. eta vs tors. theta energy: -88.834 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: 432 Temperature: 1.050000 Total energy: -889.240746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.240746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.240746 (E_RNA) where: Base-Base interactions energy: -588.918 where: short stacking energy: -258.138 Base-Backbone interact. energy: -0.649 local terms energy: -299.674104 where: bonds (distance) C4'-P energy: -60.481 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -67.821 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -74.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -931.657142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.657142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.657142 (E_RNA) where: Base-Base interactions energy: -644.301 where: short stacking energy: -281.831 Base-Backbone interact. energy: 0.431 local terms energy: -287.786224 where: bonds (distance) C4'-P energy: -52.148 bonds (distance) P-C4' energy: -57.275 flat angles C4'-P-C4' energy: -55.466 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -77.721 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: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -838.061585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.061585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.061585 (E_RNA) where: Base-Base interactions energy: -573.283 where: short stacking energy: -232.514 Base-Backbone interact. energy: -0.992 local terms energy: -263.786082 where: bonds (distance) C4'-P energy: -50.362 bonds (distance) P-C4' energy: -61.400 flat angles C4'-P-C4' energy: -46.941 flat angles P-C4'-P energy: -37.103 tors. eta vs tors. theta energy: -67.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -731.167055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.167055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.167055 (E_RNA) where: Base-Base interactions energy: -476.625 where: short stacking energy: -216.584 Base-Backbone interact. energy: -3.506 local terms energy: -251.035957 where: bonds (distance) C4'-P energy: -45.255 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -56.404 flat angles P-C4'-P energy: -34.887 tors. eta vs tors. theta energy: -57.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -561.931113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.931113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.931113 (E_RNA) where: Base-Base interactions energy: -344.929 where: short stacking energy: -160.844 Base-Backbone interact. energy: -1.239 local terms energy: -215.762680 where: bonds (distance) C4'-P energy: -47.047 bonds (distance) P-C4' energy: -54.418 flat angles C4'-P-C4' energy: -57.979 flat angles P-C4'-P energy: -31.488 tors. eta vs tors. theta energy: -24.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -433.344121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.344121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.344121 (E_RNA) where: Base-Base interactions energy: -226.926 where: short stacking energy: -122.557 Base-Backbone interact. energy: -0.255 local terms energy: -206.163449 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -52.844 flat angles C4'-P-C4' energy: -46.209 flat angles P-C4'-P energy: -26.474 tors. eta vs tors. theta energy: -27.437 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: 432 Temperature: 1.350000 Total energy: -283.645754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.645754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.645754 (E_RNA) where: Base-Base interactions energy: -137.359 where: short stacking energy: -76.182 Base-Backbone interact. energy: -1.010 local terms energy: -145.276350 where: bonds (distance) C4'-P energy: -46.242 bonds (distance) P-C4' energy: -60.159 flat angles C4'-P-C4' energy: -41.608 flat angles P-C4'-P energy: -12.842 tors. eta vs tors. theta energy: 15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1024.081875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.081875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.081875 (E_RNA) where: Base-Base interactions energy: -695.518 where: short stacking energy: -314.609 Base-Backbone interact. energy: -0.404 local terms energy: -328.159823 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -62.708 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: -93.476 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: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1025.363806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.363806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.363806 (E_RNA) where: Base-Base interactions energy: -709.996 where: short stacking energy: -311.347 Base-Backbone interact. energy: -0.441 local terms energy: -314.926775 where: bonds (distance) C4'-P energy: -57.367 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -60.004 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -84.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -939.264269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.264269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.264269 (E_RNA) where: Base-Base interactions energy: -638.532 where: short stacking energy: -284.988 Base-Backbone interact. energy: -1.341 local terms energy: -299.391117 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -54.981 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -38.778 tors. eta vs tors. theta energy: -85.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -961.449188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.449188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.449188 (E_RNA) where: Base-Base interactions energy: -680.621 where: short stacking energy: -292.321 Base-Backbone interact. energy: -2.058 local terms energy: -278.770078 where: bonds (distance) C4'-P energy: -46.030 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -35.540 tors. eta vs tors. theta energy: -80.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -869.044940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.044940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.044940 (E_RNA) where: Base-Base interactions energy: -598.259 where: short stacking energy: -275.301 Base-Backbone interact. energy: -1.402 local terms energy: -269.384803 where: bonds (distance) C4'-P energy: -40.325 bonds (distance) P-C4' energy: -45.904 flat angles C4'-P-C4' energy: -60.582 flat angles P-C4'-P energy: -41.260 tors. eta vs tors. theta energy: -81.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -865.681476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.681476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.681476 (E_RNA) where: Base-Base interactions energy: -575.098 where: short stacking energy: -249.774 Base-Backbone interact. energy: -1.393 local terms energy: -289.189978 where: bonds (distance) C4'-P energy: -61.509 bonds (distance) P-C4' energy: -60.410 flat angles C4'-P-C4' energy: -63.787 flat angles P-C4'-P energy: -35.313 tors. eta vs tors. theta energy: -68.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -771.029314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.029314 (E_RNA) where: Base-Base interactions energy: -530.879 where: short stacking energy: -255.450 Base-Backbone interact. energy: 1.225 local terms energy: -241.375291 where: bonds (distance) C4'-P energy: -40.798 bonds (distance) P-C4' energy: -33.304 flat angles C4'-P-C4' energy: -68.849 flat angles P-C4'-P energy: -24.167 tors. eta vs tors. theta energy: -74.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -553.209507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.209507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.209507 (E_RNA) where: Base-Base interactions energy: -345.127 where: short stacking energy: -182.451 Base-Backbone interact. energy: 2.094 local terms energy: -210.177036 where: bonds (distance) C4'-P energy: -43.770 bonds (distance) P-C4' energy: -48.663 flat angles C4'-P-C4' energy: -54.041 flat angles P-C4'-P energy: -35.204 tors. eta vs tors. theta energy: -28.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -380.749694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.749694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.749694 (E_RNA) where: Base-Base interactions energy: -199.568 where: short stacking energy: -111.550 Base-Backbone interact. energy: 1.363 local terms energy: -182.545179 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -52.149 flat angles C4'-P-C4' energy: -44.899 flat angles P-C4'-P energy: -20.975 tors. eta vs tors. theta energy: -14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -340.809601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.809601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.809601 (E_RNA) where: Base-Base interactions energy: -163.108 where: short stacking energy: -95.235 Base-Backbone interact. energy: 0.302 local terms energy: -178.003352 where: bonds (distance) C4'-P energy: -54.883 bonds (distance) P-C4' energy: -51.977 flat angles C4'-P-C4' energy: -53.906 flat angles P-C4'-P energy: -26.950 tors. eta vs tors. theta energy: 9.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1040.770963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.770963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.770963 (E_RNA) where: Base-Base interactions energy: -727.615 where: short stacking energy: -311.496 Base-Backbone interact. energy: -2.237 local terms energy: -310.919073 where: bonds (distance) C4'-P energy: -49.457 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -62.607 flat angles P-C4'-P energy: -46.516 tors. eta vs tors. theta energy: -87.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1021.927675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.927675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.927675 (E_RNA) where: Base-Base interactions energy: -708.154 where: short stacking energy: -325.330 Base-Backbone interact. energy: -1.956 local terms energy: -311.817452 where: bonds (distance) C4'-P energy: -53.901 bonds (distance) P-C4' energy: -58.321 flat angles C4'-P-C4' energy: -66.938 flat angles P-C4'-P energy: -37.618 tors. eta vs tors. theta energy: -95.039 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: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1012.067184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.067184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.067184 (E_RNA) where: Base-Base interactions energy: -703.714 where: short stacking energy: -313.305 Base-Backbone interact. energy: -3.336 local terms energy: -305.017159 where: bonds (distance) C4'-P energy: -56.790 bonds (distance) P-C4' energy: -61.219 flat angles C4'-P-C4' energy: -60.022 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -84.968 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: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -937.121172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.121172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.121172 (E_RNA) where: Base-Base interactions energy: -645.487 where: short stacking energy: -296.631 Base-Backbone interact. energy: -0.648 local terms energy: -290.986799 where: bonds (distance) C4'-P energy: -53.756 bonds (distance) P-C4' energy: -39.501 flat angles C4'-P-C4' energy: -67.680 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -89.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -861.499780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.499780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.499780 (E_RNA) where: Base-Base interactions energy: -596.064 where: short stacking energy: -270.335 Base-Backbone interact. energy: 0.619 local terms energy: -266.054866 where: bonds (distance) C4'-P energy: -52.009 bonds (distance) P-C4' energy: -50.833 flat angles C4'-P-C4' energy: -65.575 flat angles P-C4'-P energy: -23.122 tors. eta vs tors. theta energy: -74.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -872.307112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.307112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.307112 (E_RNA) where: Base-Base interactions energy: -590.676 where: short stacking energy: -257.762 Base-Backbone interact. energy: 2.399 local terms energy: -284.029897 where: bonds (distance) C4'-P energy: -55.147 bonds (distance) P-C4' energy: -46.963 flat angles C4'-P-C4' energy: -56.972 flat angles P-C4'-P energy: -46.525 tors. eta vs tors. theta energy: -78.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -721.611238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.611238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.611238 (E_RNA) where: Base-Base interactions energy: -502.372 where: short stacking energy: -206.894 Base-Backbone interact. energy: -1.854 local terms energy: -217.385307 where: bonds (distance) C4'-P energy: -41.931 bonds (distance) P-C4' energy: -57.199 flat angles C4'-P-C4' energy: -49.620 flat angles P-C4'-P energy: -22.223 tors. eta vs tors. theta energy: -46.413 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: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -561.275579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.275579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.275579 (E_RNA) where: Base-Base interactions energy: -340.508 where: short stacking energy: -166.167 Base-Backbone interact. energy: -1.761 local terms energy: -219.006312 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -45.317 flat angles P-C4'-P energy: -24.555 tors. eta vs tors. theta energy: -35.361 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: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -385.547272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.547272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.547272 (E_RNA) where: Base-Base interactions energy: -172.557 where: short stacking energy: -99.034 Base-Backbone interact. energy: -2.133 local terms energy: -210.857300 where: bonds (distance) C4'-P energy: -54.278 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -51.767 flat angles P-C4'-P energy: -41.501 tors. eta vs tors. theta energy: -10.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -382.250589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.250589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.250589 (E_RNA) where: Base-Base interactions energy: -187.899 where: short stacking energy: -112.296 Base-Backbone interact. energy: 0.385 local terms energy: -194.736224 where: bonds (distance) C4'-P energy: -58.122 bonds (distance) P-C4' energy: -48.054 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -25.840 tors. eta vs tors. theta energy: -9.894 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: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1054.021134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.021134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.021134 (E_RNA) where: Base-Base interactions energy: -729.285 where: short stacking energy: -320.295 Base-Backbone interact. energy: -1.965 local terms energy: -322.770752 where: bonds (distance) C4'-P energy: -59.640 bonds (distance) P-C4' energy: -64.849 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -43.276 tors. eta vs tors. theta energy: -87.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1023.599070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.599070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.599070 (E_RNA) where: Base-Base interactions energy: -712.563 where: short stacking energy: -303.028 Base-Backbone interact. energy: -0.318 local terms energy: -310.718082 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -62.130 flat angles P-C4'-P energy: -40.239 tors. eta vs tors. theta energy: -93.041 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: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -984.866057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.866057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.866057 (E_RNA) where: Base-Base interactions energy: -681.684 where: short stacking energy: -297.471 Base-Backbone interact. energy: -0.969 local terms energy: -302.213206 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -61.671 flat angles C4'-P-C4' energy: -60.492 flat angles P-C4'-P energy: -48.744 tors. eta vs tors. theta energy: -77.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -920.166907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.166907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.166907 (E_RNA) where: Base-Base interactions energy: -620.003 where: short stacking energy: -289.338 Base-Backbone interact. energy: -0.333 local terms energy: -299.830348 where: bonds (distance) C4'-P energy: -46.929 bonds (distance) P-C4' energy: -57.865 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -45.833 tors. eta vs tors. theta energy: -82.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -857.077010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.077010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.077010 (E_RNA) where: Base-Base interactions energy: -575.223 where: short stacking energy: -266.409 Base-Backbone interact. energy: -1.588 local terms energy: -280.265204 where: bonds (distance) C4'-P energy: -42.825 bonds (distance) P-C4' energy: -53.970 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -73.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -868.606664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.606664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.606664 (E_RNA) where: Base-Base interactions energy: -610.071 where: short stacking energy: -261.237 Base-Backbone interact. energy: -0.321 local terms energy: -258.215035 where: bonds (distance) C4'-P energy: -45.758 bonds (distance) P-C4' energy: -49.610 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -38.752 tors. eta vs tors. theta energy: -70.778 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: 435 Temperature: 1.200000 Total energy: -749.971986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.971986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.971986 (E_RNA) where: Base-Base interactions energy: -502.048 where: short stacking energy: -237.606 Base-Backbone interact. energy: -0.720 local terms energy: -247.203627 where: bonds (distance) C4'-P energy: -49.167 bonds (distance) P-C4' energy: -44.480 flat angles C4'-P-C4' energy: -55.898 flat angles P-C4'-P energy: -36.647 tors. eta vs tors. theta energy: -61.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -553.314526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.314526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.314526 (E_RNA) where: Base-Base interactions energy: -339.123 where: short stacking energy: -162.305 Base-Backbone interact. energy: -0.072 local terms energy: -214.119115 where: bonds (distance) C4'-P energy: -37.924 bonds (distance) P-C4' energy: -57.560 flat angles C4'-P-C4' energy: -50.487 flat angles P-C4'-P energy: -34.449 tors. eta vs tors. theta energy: -33.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -364.490963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.490963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.490963 (E_RNA) where: Base-Base interactions energy: -191.312 where: short stacking energy: -112.168 Base-Backbone interact. energy: -0.908 local terms energy: -172.271153 where: bonds (distance) C4'-P energy: -39.767 bonds (distance) P-C4' energy: -51.039 flat angles C4'-P-C4' energy: -39.330 flat angles P-C4'-P energy: -32.003 tors. eta vs tors. theta energy: -10.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -426.860724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.860724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.860724 (E_RNA) where: Base-Base interactions energy: -245.374 where: short stacking energy: -120.296 Base-Backbone interact. energy: 0.876 local terms energy: -182.362179 where: bonds (distance) C4'-P energy: -43.915 bonds (distance) P-C4' energy: -48.850 flat angles C4'-P-C4' energy: -55.192 flat angles P-C4'-P energy: -25.057 tors. eta vs tors. theta energy: -9.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1050.014629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.014629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.014629 (E_RNA) where: Base-Base interactions energy: -744.069 where: short stacking energy: -318.519 Base-Backbone interact. energy: 0.240 local terms energy: -306.186223 where: bonds (distance) C4'-P energy: -57.737 bonds (distance) P-C4' energy: -64.309 flat angles C4'-P-C4' energy: -61.725 flat angles P-C4'-P energy: -32.455 tors. eta vs tors. theta energy: -89.960 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: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1012.103464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.103464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.103464 (E_RNA) where: Base-Base interactions energy: -697.982 where: short stacking energy: -318.428 Base-Backbone interact. energy: -1.160 local terms energy: -312.961750 where: bonds (distance) C4'-P energy: -54.851 bonds (distance) P-C4' energy: -53.304 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -40.224 tors. eta vs tors. theta energy: -92.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -979.910636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.910636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.910636 (E_RNA) where: Base-Base interactions energy: -672.951 where: short stacking energy: -307.097 Base-Backbone interact. energy: -0.318 local terms energy: -306.642273 where: bonds (distance) C4'-P energy: -51.468 bonds (distance) P-C4' energy: -56.246 flat angles C4'-P-C4' energy: -64.080 flat angles P-C4'-P energy: -43.493 tors. eta vs tors. theta energy: -91.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -929.985656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.985656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.985656 (E_RNA) where: Base-Base interactions energy: -647.406 where: short stacking energy: -295.498 Base-Backbone interact. energy: -0.909 local terms energy: -281.670546 where: bonds (distance) C4'-P energy: -47.761 bonds (distance) P-C4' energy: -59.050 flat angles C4'-P-C4' energy: -59.564 flat angles P-C4'-P energy: -34.239 tors. eta vs tors. theta energy: -81.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -873.532468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.532468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.532468 (E_RNA) where: Base-Base interactions energy: -605.586 where: short stacking energy: -257.352 Base-Backbone interact. energy: -0.848 local terms energy: -267.098381 where: bonds (distance) C4'-P energy: -41.753 bonds (distance) P-C4' energy: -49.569 flat angles C4'-P-C4' energy: -52.265 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -70.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -875.016688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.016688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.016688 (E_RNA) where: Base-Base interactions energy: -591.979 where: short stacking energy: -259.673 Base-Backbone interact. energy: -0.320 local terms energy: -282.717680 where: bonds (distance) C4'-P energy: -52.538 bonds (distance) P-C4' energy: -49.659 flat angles C4'-P-C4' energy: -61.401 flat angles P-C4'-P energy: -42.143 tors. eta vs tors. theta energy: -76.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -766.408283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.408283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.408283 (E_RNA) where: Base-Base interactions energy: -502.474 where: short stacking energy: -240.753 Base-Backbone interact. energy: 1.381 local terms energy: -265.314902 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -53.636 flat angles C4'-P-C4' energy: -50.920 flat angles P-C4'-P energy: -42.972 tors. eta vs tors. theta energy: -60.747 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: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -539.499899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.499899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.499899 (E_RNA) where: Base-Base interactions energy: -324.333 where: short stacking energy: -152.805 Base-Backbone interact. energy: -2.794 local terms energy: -212.372966 where: bonds (distance) C4'-P energy: -48.237 bonds (distance) P-C4' energy: -52.661 flat angles C4'-P-C4' energy: -50.062 flat angles P-C4'-P energy: -36.544 tors. eta vs tors. theta energy: -24.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -435.549898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.549898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.549898 (E_RNA) where: Base-Base interactions energy: -231.191 where: short stacking energy: -119.258 Base-Backbone interact. energy: -0.190 local terms energy: -204.169158 where: bonds (distance) C4'-P energy: -49.445 bonds (distance) P-C4' energy: -57.327 flat angles C4'-P-C4' energy: -48.557 flat angles P-C4'-P energy: -28.146 tors. eta vs tors. theta energy: -20.695 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: 436 Temperature: 1.350000 Total energy: -339.736593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.736593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.736593 (E_RNA) where: Base-Base interactions energy: -173.447 where: short stacking energy: -94.267 Base-Backbone interact. energy: 7.322 local terms energy: -173.611059 where: bonds (distance) C4'-P energy: -49.414 bonds (distance) P-C4' energy: -48.331 flat angles C4'-P-C4' energy: -44.417 flat angles P-C4'-P energy: -28.729 tors. eta vs tors. theta energy: -2.720 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1046.088951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.088951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.088951 (E_RNA) where: Base-Base interactions energy: -733.634 where: short stacking energy: -319.715 Base-Backbone interact. energy: -0.647 local terms energy: -311.807903 where: bonds (distance) C4'-P energy: -48.144 bonds (distance) P-C4' energy: -65.095 flat angles C4'-P-C4' energy: -66.881 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -91.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1013.896231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.896231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.896231 (E_RNA) where: Base-Base interactions energy: -691.130 where: short stacking energy: -308.703 Base-Backbone interact. energy: -1.749 local terms energy: -321.018054 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -60.989 flat angles C4'-P-C4' energy: -60.955 flat angles P-C4'-P energy: -50.963 tors. eta vs tors. theta energy: -89.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -993.474216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.474216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.474216 (E_RNA) where: Base-Base interactions energy: -685.905 where: short stacking energy: -311.519 Base-Backbone interact. energy: 0.844 local terms energy: -308.413954 where: bonds (distance) C4'-P energy: -52.520 bonds (distance) P-C4' energy: -58.259 flat angles C4'-P-C4' energy: -61.766 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -93.577 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: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -964.062340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.062340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.062340 (E_RNA) where: Base-Base interactions energy: -643.681 where: short stacking energy: -307.722 Base-Backbone interact. energy: -0.175 local terms energy: -320.207035 where: bonds (distance) C4'-P energy: -57.828 bonds (distance) P-C4' energy: -57.796 flat angles C4'-P-C4' energy: -70.550 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -90.767 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: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -885.482064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.482064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.482064 (E_RNA) where: Base-Base interactions energy: -597.576 where: short stacking energy: -256.258 Base-Backbone interact. energy: 1.543 local terms energy: -289.448941 where: bonds (distance) C4'-P energy: -47.769 bonds (distance) P-C4' energy: -67.304 flat angles C4'-P-C4' energy: -57.382 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -70.579 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: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -849.307586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.307586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.307586 (E_RNA) where: Base-Base interactions energy: -571.985 where: short stacking energy: -252.697 Base-Backbone interact. energy: 1.474 local terms energy: -278.797115 where: bonds (distance) C4'-P energy: -46.667 bonds (distance) P-C4' energy: -52.174 flat angles C4'-P-C4' energy: -61.012 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -80.467 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: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -748.366111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.366111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.366111 (E_RNA) where: Base-Base interactions energy: -508.481 where: short stacking energy: -227.972 Base-Backbone interact. energy: 0.328 local terms energy: -240.213464 where: bonds (distance) C4'-P energy: -44.261 bonds (distance) P-C4' energy: -50.052 flat angles C4'-P-C4' energy: -51.689 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -57.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -527.975810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.975810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.975810 (E_RNA) where: Base-Base interactions energy: -321.055 where: short stacking energy: -136.667 Base-Backbone interact. energy: -0.752 local terms energy: -206.168709 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -47.827 flat angles P-C4'-P energy: -31.023 tors. eta vs tors. theta energy: -19.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -409.911730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.911730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.911730 (E_RNA) where: Base-Base interactions energy: -223.745 where: short stacking energy: -113.301 Base-Backbone interact. energy: -1.461 local terms energy: -184.705716 where: bonds (distance) C4'-P energy: -42.037 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -48.039 flat angles P-C4'-P energy: -18.345 tors. eta vs tors. theta energy: -16.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -291.900208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.900208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.900208 (E_RNA) where: Base-Base interactions energy: -141.665 where: short stacking energy: -100.862 Base-Backbone interact. energy: 0.019 local terms energy: -150.253468 where: bonds (distance) C4'-P energy: -21.399 bonds (distance) P-C4' energy: -56.190 flat angles C4'-P-C4' energy: -42.342 flat angles P-C4'-P energy: -23.771 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1038.175509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.175509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.175509 (E_RNA) where: Base-Base interactions energy: -719.361 where: short stacking energy: -308.397 Base-Backbone interact. energy: -1.725 local terms energy: -317.088994 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -59.111 flat angles C4'-P-C4' energy: -65.261 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -87.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1015.066100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.066100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.066100 (E_RNA) where: Base-Base interactions energy: -694.637 where: short stacking energy: -334.461 Base-Backbone interact. energy: -1.683 local terms energy: -318.746550 where: bonds (distance) C4'-P energy: -55.243 bonds (distance) P-C4' energy: -54.956 flat angles C4'-P-C4' energy: -68.622 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -96.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -968.759520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.759520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.759520 (E_RNA) where: Base-Base interactions energy: -655.749 where: short stacking energy: -296.980 Base-Backbone interact. energy: -0.933 local terms energy: -312.077647 where: bonds (distance) C4'-P energy: -58.446 bonds (distance) P-C4' energy: -61.803 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -84.762 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: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -969.254942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.254942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.254942 (E_RNA) where: Base-Base interactions energy: -648.696 where: short stacking energy: -295.254 Base-Backbone interact. energy: -0.768 local terms energy: -319.791281 where: bonds (distance) C4'-P energy: -66.830 bonds (distance) P-C4' energy: -64.348 flat angles C4'-P-C4' energy: -62.853 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -83.935 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: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -882.702480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.702480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.702480 (E_RNA) where: Base-Base interactions energy: -599.936 where: short stacking energy: -280.481 Base-Backbone interact. energy: -1.368 local terms energy: -281.398343 where: bonds (distance) C4'-P energy: -50.937 bonds (distance) P-C4' energy: -47.631 flat angles C4'-P-C4' energy: -65.340 flat angles P-C4'-P energy: -39.820 tors. eta vs tors. theta energy: -77.671 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: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -844.250503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.250503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.250503 (E_RNA) where: Base-Base interactions energy: -583.504 where: short stacking energy: -251.132 Base-Backbone interact. energy: -0.693 local terms energy: -260.053586 where: bonds (distance) C4'-P energy: -50.775 bonds (distance) P-C4' energy: -47.180 flat angles C4'-P-C4' energy: -60.822 flat angles P-C4'-P energy: -35.451 tors. eta vs tors. theta energy: -65.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -708.688302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.688302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.688302 (E_RNA) where: Base-Base interactions energy: -463.824 where: short stacking energy: -206.911 Base-Backbone interact. energy: -1.043 local terms energy: -243.821569 where: bonds (distance) C4'-P energy: -53.998 bonds (distance) P-C4' energy: -55.930 flat angles C4'-P-C4' energy: -48.660 flat angles P-C4'-P energy: -41.636 tors. eta vs tors. theta energy: -43.597 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: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -533.074052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.074052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.074052 (E_RNA) where: Base-Base interactions energy: -323.011 where: short stacking energy: -173.498 Base-Backbone interact. energy: -1.698 local terms energy: -208.364467 where: bonds (distance) C4'-P energy: -48.746 bonds (distance) P-C4' energy: -44.471 flat angles C4'-P-C4' energy: -55.116 flat angles P-C4'-P energy: -31.029 tors. eta vs tors. theta energy: -29.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -420.357988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.357988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.357988 (E_RNA) where: Base-Base interactions energy: -241.123 where: short stacking energy: -130.574 Base-Backbone interact. energy: 2.283 local terms energy: -181.518497 where: bonds (distance) C4'-P energy: -35.851 bonds (distance) P-C4' energy: -52.188 flat angles C4'-P-C4' energy: -53.993 flat angles P-C4'-P energy: -26.218 tors. eta vs tors. theta energy: -13.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -323.067567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.067567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.067567 (E_RNA) where: Base-Base interactions energy: -138.832 where: short stacking energy: -92.639 Base-Backbone interact. energy: 5.232 local terms energy: -189.467708 where: bonds (distance) C4'-P energy: -51.026 bonds (distance) P-C4' energy: -47.117 flat angles C4'-P-C4' energy: -53.482 flat angles P-C4'-P energy: -30.143 tors. eta vs tors. theta energy: -7.699 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: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1035.269286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.269286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.269286 (E_RNA) where: Base-Base interactions energy: -714.533 where: short stacking energy: -309.441 Base-Backbone interact. energy: -1.182 local terms energy: -319.554404 where: bonds (distance) C4'-P energy: -59.304 bonds (distance) P-C4' energy: -53.802 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -54.957 tors. eta vs tors. theta energy: -85.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1016.666006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.666006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.666006 (E_RNA) where: Base-Base interactions energy: -693.374 where: short stacking energy: -304.144 Base-Backbone interact. energy: 0.262 local terms energy: -323.553831 where: bonds (distance) C4'-P energy: -55.244 bonds (distance) P-C4' energy: -59.876 flat angles C4'-P-C4' energy: -66.675 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -96.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -973.653669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.653669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.653669 (E_RNA) where: Base-Base interactions energy: -672.467 where: short stacking energy: -307.179 Base-Backbone interact. energy: -0.401 local terms energy: -300.785648 where: bonds (distance) C4'-P energy: -50.584 bonds (distance) P-C4' energy: -54.549 flat angles C4'-P-C4' energy: -64.576 flat angles P-C4'-P energy: -38.000 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: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -943.547640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.547640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.547640 (E_RNA) where: Base-Base interactions energy: -632.801 where: short stacking energy: -296.001 Base-Backbone interact. energy: -0.154 local terms energy: -310.592718 where: bonds (distance) C4'-P energy: -52.800 bonds (distance) P-C4' energy: -63.146 flat angles C4'-P-C4' energy: -67.524 flat angles P-C4'-P energy: -46.839 tors. eta vs tors. theta energy: -80.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -876.679164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.679164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.679164 (E_RNA) where: Base-Base interactions energy: -595.737 where: short stacking energy: -268.908 Base-Backbone interact. energy: -1.160 local terms energy: -279.783056 where: bonds (distance) C4'-P energy: -45.456 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -67.593 flat angles P-C4'-P energy: -43.286 tors. eta vs tors. theta energy: -68.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -873.770908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.770908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.770908 (E_RNA) where: Base-Base interactions energy: -604.845 where: short stacking energy: -251.060 Base-Backbone interact. energy: -0.689 local terms energy: -268.236799 where: bonds (distance) C4'-P energy: -54.079 bonds (distance) P-C4' energy: -47.581 flat angles C4'-P-C4' energy: -57.250 flat angles P-C4'-P energy: -40.933 tors. eta vs tors. theta energy: -68.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -713.719179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.719179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.719179 (E_RNA) where: Base-Base interactions energy: -473.673 where: short stacking energy: -205.122 Base-Backbone interact. energy: -0.748 local terms energy: -239.297910 where: bonds (distance) C4'-P energy: -57.192 bonds (distance) P-C4' energy: -48.291 flat angles C4'-P-C4' energy: -54.823 flat angles P-C4'-P energy: -28.223 tors. eta vs tors. theta energy: -50.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -560.956472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.956472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.956472 (E_RNA) where: Base-Base interactions energy: -351.161 where: short stacking energy: -175.688 Base-Backbone interact. energy: 2.820 local terms energy: -212.615773 where: bonds (distance) C4'-P energy: -48.420 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -37.032 flat angles P-C4'-P energy: -32.889 tors. eta vs tors. theta energy: -35.582 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: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -403.638338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.638338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.638338 (E_RNA) where: Base-Base interactions energy: -205.806 where: short stacking energy: -126.209 Base-Backbone interact. energy: -0.500 local terms energy: -197.331519 where: bonds (distance) C4'-P energy: -40.187 bonds (distance) P-C4' energy: -59.936 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -30.772 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -306.204867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.204867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.204867 (E_RNA) where: Base-Base interactions energy: -152.346 where: short stacking energy: -79.268 Base-Backbone interact. energy: 1.627 local terms energy: -155.486281 where: bonds (distance) C4'-P energy: -54.318 bonds (distance) P-C4' energy: -54.025 flat angles C4'-P-C4' energy: -36.158 flat angles P-C4'-P energy: -23.710 tors. eta vs tors. theta energy: 12.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1055.044032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.044032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.044032 (E_RNA) where: Base-Base interactions energy: -729.617 where: short stacking energy: -315.857 Base-Backbone interact. energy: -0.472 local terms energy: -324.954529 where: bonds (distance) C4'-P energy: -56.840 bonds (distance) P-C4' energy: -70.074 flat angles C4'-P-C4' energy: -61.766 flat angles P-C4'-P energy: -42.264 tors. eta vs tors. theta energy: -94.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1001.259942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.259942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.259942 (E_RNA) where: Base-Base interactions energy: -699.021 where: short stacking energy: -291.439 Base-Backbone interact. energy: 0.925 local terms energy: -303.163511 where: bonds (distance) C4'-P energy: -48.877 bonds (distance) P-C4' energy: -67.283 flat angles C4'-P-C4' energy: -59.281 flat angles P-C4'-P energy: -44.902 tors. eta vs tors. theta energy: -82.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -968.933936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.933936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.933936 (E_RNA) where: Base-Base interactions energy: -673.439 where: short stacking energy: -295.035 Base-Backbone interact. energy: -2.429 local terms energy: -293.066618 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -58.007 flat angles C4'-P-C4' energy: -64.536 flat angles P-C4'-P energy: -34.545 tors. eta vs tors. theta energy: -81.980 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: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -953.046743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.046743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.046743 (E_RNA) where: Base-Base interactions energy: -644.992 where: short stacking energy: -307.091 Base-Backbone interact. energy: -0.897 local terms energy: -307.157921 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -53.029 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -34.785 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -902.887882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.887882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.887882 (E_RNA) where: Base-Base interactions energy: -628.966 where: short stacking energy: -277.692 Base-Backbone interact. energy: -1.687 local terms energy: -272.234330 where: bonds (distance) C4'-P energy: -51.019 bonds (distance) P-C4' energy: -47.177 flat angles C4'-P-C4' energy: -59.722 flat angles P-C4'-P energy: -35.163 tors. eta vs tors. theta energy: -79.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -864.778778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.778778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.778778 (E_RNA) where: Base-Base interactions energy: -586.377 where: short stacking energy: -257.207 Base-Backbone interact. energy: -0.635 local terms energy: -277.767355 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -52.199 flat angles C4'-P-C4' energy: -56.342 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -73.579 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: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -737.850882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.850882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.850882 (E_RNA) where: Base-Base interactions energy: -500.441 where: short stacking energy: -214.918 Base-Backbone interact. energy: -2.056 local terms energy: -235.354161 where: bonds (distance) C4'-P energy: -53.092 bonds (distance) P-C4' energy: -39.093 flat angles C4'-P-C4' energy: -57.548 flat angles P-C4'-P energy: -32.610 tors. eta vs tors. theta energy: -53.011 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: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -629.210522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.210522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.210522 (E_RNA) where: Base-Base interactions energy: -421.384 where: short stacking energy: -170.748 Base-Backbone interact. energy: 0.285 local terms energy: -208.112080 where: bonds (distance) C4'-P energy: -40.875 bonds (distance) P-C4' energy: -51.461 flat angles C4'-P-C4' energy: -48.207 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -25.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -464.297878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.297878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.297878 (E_RNA) where: Base-Base interactions energy: -269.768 where: short stacking energy: -137.452 Base-Backbone interact. energy: -0.820 local terms energy: -193.709202 where: bonds (distance) C4'-P energy: -42.261 bonds (distance) P-C4' energy: -53.796 flat angles C4'-P-C4' energy: -49.961 flat angles P-C4'-P energy: -24.354 tors. eta vs tors. theta energy: -23.338 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: 440 Temperature: 1.350000 Total energy: -267.783356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.783356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.783356 (E_RNA) where: Base-Base interactions energy: -108.032 where: short stacking energy: -82.490 Base-Backbone interact. energy: 3.312 local terms energy: -163.062970 where: bonds (distance) C4'-P energy: -38.139 bonds (distance) P-C4' energy: -56.798 flat angles C4'-P-C4' energy: -54.957 flat angles P-C4'-P energy: -18.905 tors. eta vs tors. theta energy: 5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1035.301292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.301292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.301292 (E_RNA) where: Base-Base interactions energy: -708.585 where: short stacking energy: -315.626 Base-Backbone interact. energy: -0.026 local terms energy: -326.690130 where: bonds (distance) C4'-P energy: -62.044 bonds (distance) P-C4' energy: -56.946 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -45.525 tors. eta vs tors. theta energy: -93.805 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: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1003.469182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.469182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.469182 (E_RNA) where: Base-Base interactions energy: -697.361 where: short stacking energy: -300.182 Base-Backbone interact. energy: -1.227 local terms energy: -304.881145 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -55.742 flat angles C4'-P-C4' energy: -59.846 flat angles P-C4'-P energy: -48.533 tors. eta vs tors. theta energy: -80.759 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -982.362818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.362818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.362818 (E_RNA) where: Base-Base interactions energy: -692.493 where: short stacking energy: -310.611 Base-Backbone interact. energy: -1.570 local terms energy: -288.300291 where: bonds (distance) C4'-P energy: -46.887 bonds (distance) P-C4' energy: -57.887 flat angles C4'-P-C4' energy: -66.797 flat angles P-C4'-P energy: -36.653 tors. eta vs tors. theta energy: -80.076 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: 441 Temperature: 1.050000 Total energy: -962.168723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.168723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.168723 (E_RNA) where: Base-Base interactions energy: -648.368 where: short stacking energy: -295.932 Base-Backbone interact. energy: 0.786 local terms energy: -314.587056 where: bonds (distance) C4'-P energy: -54.765 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -68.789 flat angles P-C4'-P energy: -41.905 tors. eta vs tors. theta energy: -86.623 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: 441 Temperature: 1.100000 Total energy: -948.642090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.642090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.642090 (E_RNA) where: Base-Base interactions energy: -651.179 where: short stacking energy: -266.775 Base-Backbone interact. energy: -0.943 local terms energy: -296.520186 where: bonds (distance) C4'-P energy: -50.934 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -61.671 flat angles P-C4'-P energy: -42.285 tors. eta vs tors. theta energy: -80.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -852.450258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.450258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.450258 (E_RNA) where: Base-Base interactions energy: -595.999 where: short stacking energy: -260.885 Base-Backbone interact. energy: -1.087 local terms energy: -255.363884 where: bonds (distance) C4'-P energy: -37.353 bonds (distance) P-C4' energy: -55.076 flat angles C4'-P-C4' energy: -55.708 flat angles P-C4'-P energy: -31.204 tors. eta vs tors. theta energy: -76.024 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: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -754.837173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.837173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.837173 (E_RNA) where: Base-Base interactions energy: -509.584 where: short stacking energy: -209.432 Base-Backbone interact. energy: -1.116 local terms energy: -244.137221 where: bonds (distance) C4'-P energy: -49.986 bonds (distance) P-C4' energy: -48.061 flat angles C4'-P-C4' energy: -57.489 flat angles P-C4'-P energy: -31.972 tors. eta vs tors. theta energy: -56.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -611.162529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.162529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.162529 (E_RNA) where: Base-Base interactions energy: -385.525 where: short stacking energy: -173.798 Base-Backbone interact. energy: -1.848 local terms energy: -223.790335 where: bonds (distance) C4'-P energy: -55.641 bonds (distance) P-C4' energy: -48.501 flat angles C4'-P-C4' energy: -58.154 flat angles P-C4'-P energy: -29.547 tors. eta vs tors. theta energy: -31.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -460.639015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.639015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.639015 (E_RNA) where: Base-Base interactions energy: -269.489 where: short stacking energy: -147.250 Base-Backbone interact. energy: -0.603 local terms energy: -190.547577 where: bonds (distance) C4'-P energy: -44.166 bonds (distance) P-C4' energy: -51.126 flat angles C4'-P-C4' energy: -45.572 flat angles P-C4'-P energy: -23.966 tors. eta vs tors. theta energy: -25.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -256.819385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.819385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.819385 (E_RNA) where: Base-Base interactions energy: -92.684 where: short stacking energy: -82.392 Base-Backbone interact. energy: -1.089 local terms energy: -163.046375 where: bonds (distance) C4'-P energy: -43.760 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -41.476 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1052.807100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.807100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.807100 (E_RNA) where: Base-Base interactions energy: -732.606 where: short stacking energy: -320.881 Base-Backbone interact. energy: -1.404 local terms energy: -318.797365 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -67.997 flat angles C4'-P-C4' energy: -62.599 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -91.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1017.655302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.655302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.655302 (E_RNA) where: Base-Base interactions energy: -697.086 where: short stacking energy: -304.000 Base-Backbone interact. energy: -1.325 local terms energy: -319.244379 where: bonds (distance) C4'-P energy: -58.765 bonds (distance) P-C4' energy: -60.730 flat angles C4'-P-C4' energy: -57.915 flat angles P-C4'-P energy: -45.379 tors. eta vs tors. theta energy: -96.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1001.250551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.250551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.250551 (E_RNA) where: Base-Base interactions energy: -685.637 where: short stacking energy: -326.687 Base-Backbone interact. energy: -0.927 local terms energy: -314.686682 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -56.745 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: -86.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -970.228769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.228769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.228769 (E_RNA) where: Base-Base interactions energy: -659.427 where: short stacking energy: -293.772 Base-Backbone interact. energy: -2.508 local terms energy: -308.293094 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -55.709 flat angles C4'-P-C4' energy: -65.733 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -90.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -928.116897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.116897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.116897 (E_RNA) where: Base-Base interactions energy: -634.222 where: short stacking energy: -282.485 Base-Backbone interact. energy: -1.121 local terms energy: -292.773843 where: bonds (distance) C4'-P energy: -54.550 bonds (distance) P-C4' energy: -54.353 flat angles C4'-P-C4' energy: -62.859 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: -87.134 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -862.068799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.068799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.068799 (E_RNA) where: Base-Base interactions energy: -594.171 where: short stacking energy: -266.942 Base-Backbone interact. energy: -0.345 local terms energy: -267.552754 where: bonds (distance) C4'-P energy: -50.899 bonds (distance) P-C4' energy: -56.184 flat angles C4'-P-C4' energy: -59.079 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: -74.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -722.064019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.064019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.064019 (E_RNA) where: Base-Base interactions energy: -472.500 where: short stacking energy: -216.445 Base-Backbone interact. energy: -2.233 local terms energy: -247.331412 where: bonds (distance) C4'-P energy: -49.474 bonds (distance) P-C4' energy: -50.608 flat angles C4'-P-C4' energy: -59.242 flat angles P-C4'-P energy: -28.715 tors. eta vs tors. theta energy: -59.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -586.627350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.627350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.627350 (E_RNA) where: Base-Base interactions energy: -376.986 where: short stacking energy: -163.934 Base-Backbone interact. energy: 3.590 local terms energy: -213.231678 where: bonds (distance) C4'-P energy: -44.993 bonds (distance) P-C4' energy: -51.502 flat angles C4'-P-C4' energy: -51.510 flat angles P-C4'-P energy: -32.060 tors. eta vs tors. theta energy: -33.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -408.981724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.981724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.981724 (E_RNA) where: Base-Base interactions energy: -214.744 where: short stacking energy: -109.626 Base-Backbone interact. energy: -1.764 local terms energy: -192.474376 where: bonds (distance) C4'-P energy: -52.036 bonds (distance) P-C4' energy: -61.978 flat angles C4'-P-C4' energy: -49.962 flat angles P-C4'-P energy: -16.221 tors. eta vs tors. theta energy: -12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -264.437253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.437253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.437253 (E_RNA) where: Base-Base interactions energy: -105.146 where: short stacking energy: -98.317 Base-Backbone interact. energy: -0.589 local terms energy: -158.701854 where: bonds (distance) C4'-P energy: -47.098 bonds (distance) P-C4' energy: -45.612 flat angles C4'-P-C4' energy: -34.873 flat angles P-C4'-P energy: -28.757 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1047.809276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.809276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.809276 (E_RNA) where: Base-Base interactions energy: -711.801 where: short stacking energy: -310.332 Base-Backbone interact. energy: -1.607 local terms energy: -334.400773 where: bonds (distance) C4'-P energy: -61.075 bonds (distance) P-C4' energy: -62.897 flat angles C4'-P-C4' energy: -74.341 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: -92.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1002.126635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.126635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.126635 (E_RNA) where: Base-Base interactions energy: -687.567 where: short stacking energy: -311.978 Base-Backbone interact. energy: -0.718 local terms energy: -313.841543 where: bonds (distance) C4'-P energy: -58.931 bonds (distance) P-C4' energy: -62.094 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -32.368 tors. eta vs tors. theta energy: -94.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -948.373116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.373116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.373116 (E_RNA) where: Base-Base interactions energy: -653.482 where: short stacking energy: -287.423 Base-Backbone interact. energy: -1.592 local terms energy: -293.299084 where: bonds (distance) C4'-P energy: -53.740 bonds (distance) P-C4' energy: -53.413 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -38.268 tors. eta vs tors. theta energy: -83.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -924.698804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.698804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.698804 (E_RNA) where: Base-Base interactions energy: -643.480 where: short stacking energy: -285.853 Base-Backbone interact. energy: 0.272 local terms energy: -281.491139 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -45.783 flat angles C4'-P-C4' energy: -63.715 flat angles P-C4'-P energy: -41.397 tors. eta vs tors. theta energy: -76.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -948.409126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.409126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.409126 (E_RNA) where: Base-Base interactions energy: -652.932 where: short stacking energy: -281.425 Base-Backbone interact. energy: -0.824 local terms energy: -294.652196 where: bonds (distance) C4'-P energy: -60.434 bonds (distance) P-C4' energy: -52.294 flat angles C4'-P-C4' energy: -55.661 flat angles P-C4'-P energy: -42.904 tors. eta vs tors. theta energy: -83.358 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: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -854.900904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.900904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.900904 (E_RNA) where: Base-Base interactions energy: -591.463 where: short stacking energy: -246.025 Base-Backbone interact. energy: 0.548 local terms energy: -263.985075 where: bonds (distance) C4'-P energy: -48.550 bonds (distance) P-C4' energy: -51.246 flat angles C4'-P-C4' energy: -64.732 flat angles P-C4'-P energy: -33.245 tors. eta vs tors. theta energy: -66.212 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: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -758.814130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.814130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.814130 (E_RNA) where: Base-Base interactions energy: -519.356 where: short stacking energy: -221.925 Base-Backbone interact. energy: -1.005 local terms energy: -238.453018 where: bonds (distance) C4'-P energy: -41.606 bonds (distance) P-C4' energy: -40.572 flat angles C4'-P-C4' energy: -60.278 flat angles P-C4'-P energy: -36.995 tors. eta vs tors. theta energy: -59.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -607.161906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.161906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.161906 (E_RNA) where: Base-Base interactions energy: -381.684 where: short stacking energy: -171.804 Base-Backbone interact. energy: -0.998 local terms energy: -224.479957 where: bonds (distance) C4'-P energy: -46.372 bonds (distance) P-C4' energy: -44.744 flat angles C4'-P-C4' energy: -58.380 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -34.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -448.002553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.002553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.002553 (E_RNA) where: Base-Base interactions energy: -246.437 where: short stacking energy: -127.072 Base-Backbone interact. energy: -1.425 local terms energy: -200.140629 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -50.099 flat angles C4'-P-C4' energy: -47.605 flat angles P-C4'-P energy: -28.737 tors. eta vs tors. theta energy: -21.953 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: 443 Temperature: 1.350000 Total energy: -253.690532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.690532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.690532 (E_RNA) where: Base-Base interactions energy: -90.181 where: short stacking energy: -73.536 Base-Backbone interact. energy: 0.435 local terms energy: -163.944028 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -54.149 flat angles C4'-P-C4' energy: -38.412 flat angles P-C4'-P energy: -17.298 tors. eta vs tors. theta energy: 1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1045.255420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.255420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.255420 (E_RNA) where: Base-Base interactions energy: -729.282 where: short stacking energy: -311.893 Base-Backbone interact. energy: -0.591 local terms energy: -315.381677 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -57.669 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: -88.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1002.630047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.630047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.630047 (E_RNA) where: Base-Base interactions energy: -686.296 where: short stacking energy: -292.256 Base-Backbone interact. energy: -2.097 local terms energy: -314.237282 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -61.627 flat angles C4'-P-C4' energy: -64.029 flat angles P-C4'-P energy: -40.693 tors. eta vs tors. theta energy: -90.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -980.292793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.292793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.292793 (E_RNA) where: Base-Base interactions energy: -667.352 where: short stacking energy: -300.654 Base-Backbone interact. energy: -1.355 local terms energy: -311.586522 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -52.944 flat angles C4'-P-C4' energy: -68.327 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -89.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -942.169165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.169165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.169165 (E_RNA) where: Base-Base interactions energy: -645.758 where: short stacking energy: -281.600 Base-Backbone interact. energy: -1.071 local terms energy: -295.340260 where: bonds (distance) C4'-P energy: -59.264 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -55.952 flat angles P-C4'-P energy: -41.121 tors. eta vs tors. theta energy: -76.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -936.988156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.988156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.988156 (E_RNA) where: Base-Base interactions energy: -649.883 where: short stacking energy: -270.137 Base-Backbone interact. energy: -0.761 local terms energy: -286.344094 where: bonds (distance) C4'-P energy: -60.068 bonds (distance) P-C4' energy: -48.421 flat angles C4'-P-C4' energy: -56.016 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -81.038 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: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -823.659709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.659709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.659709 (E_RNA) where: Base-Base interactions energy: -571.398 where: short stacking energy: -247.149 Base-Backbone interact. energy: 3.073 local terms energy: -255.334232 where: bonds (distance) C4'-P energy: -45.083 bonds (distance) P-C4' energy: -49.970 flat angles C4'-P-C4' energy: -55.764 flat angles P-C4'-P energy: -37.212 tors. eta vs tors. theta energy: -67.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -773.416510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.416510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.416510 (E_RNA) where: Base-Base interactions energy: -527.442 where: short stacking energy: -230.048 Base-Backbone interact. energy: -2.837 local terms energy: -243.137773 where: bonds (distance) C4'-P energy: -58.328 bonds (distance) P-C4' energy: -40.324 flat angles C4'-P-C4' energy: -63.481 flat angles P-C4'-P energy: -25.405 tors. eta vs tors. theta energy: -55.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -600.236377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.236377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.236377 (E_RNA) where: Base-Base interactions energy: -393.208 where: short stacking energy: -168.453 Base-Backbone interact. energy: 4.571 local terms energy: -211.598680 where: bonds (distance) C4'-P energy: -41.283 bonds (distance) P-C4' energy: -53.298 flat angles C4'-P-C4' energy: -57.989 flat angles P-C4'-P energy: -25.570 tors. eta vs tors. theta energy: -33.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -513.482121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.482121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.482121 (E_RNA) where: Base-Base interactions energy: -314.794 where: short stacking energy: -169.226 Base-Backbone interact. energy: -0.196 local terms energy: -198.492144 where: bonds (distance) C4'-P energy: -36.070 bonds (distance) P-C4' energy: -50.397 flat angles C4'-P-C4' energy: -50.967 flat angles P-C4'-P energy: -29.658 tors. eta vs tors. theta energy: -31.400 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: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -269.725632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.725632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.725632 (E_RNA) where: Base-Base interactions energy: -114.244 where: short stacking energy: -98.051 Base-Backbone interact. energy: 2.125 local terms energy: -157.606792 where: bonds (distance) C4'-P energy: -38.219 bonds (distance) P-C4' energy: -52.077 flat angles C4'-P-C4' energy: -43.135 flat angles P-C4'-P energy: -23.171 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1067.902113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.902113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.902113 (E_RNA) where: Base-Base interactions energy: -748.212 where: short stacking energy: -345.000 Base-Backbone interact. energy: -0.991 local terms energy: -318.698565 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -52.885 flat angles C4'-P-C4' energy: -60.122 flat angles P-C4'-P energy: -42.117 tors. eta vs tors. theta energy: -97.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -997.782355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.782355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.782355 (E_RNA) where: Base-Base interactions energy: -695.386 where: short stacking energy: -318.493 Base-Backbone interact. energy: -1.227 local terms energy: -301.169067 where: bonds (distance) C4'-P energy: -52.376 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -58.061 flat angles P-C4'-P energy: -40.922 tors. eta vs tors. theta energy: -94.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -988.452906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.452906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.452906 (E_RNA) where: Base-Base interactions energy: -684.365 where: short stacking energy: -285.927 Base-Backbone interact. energy: -1.774 local terms energy: -302.313804 where: bonds (distance) C4'-P energy: -53.649 bonds (distance) P-C4' energy: -60.537 flat angles C4'-P-C4' energy: -64.528 flat angles P-C4'-P energy: -36.293 tors. eta vs tors. theta energy: -87.307 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: 445 Temperature: 1.050000 Total energy: -981.621759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.621759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.621759 (E_RNA) where: Base-Base interactions energy: -685.956 where: short stacking energy: -270.634 Base-Backbone interact. energy: -1.657 local terms energy: -294.008289 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -53.779 flat angles C4'-P-C4' energy: -63.861 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -83.818 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: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -947.223928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.223928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.223928 (E_RNA) where: Base-Base interactions energy: -657.212 where: short stacking energy: -290.246 Base-Backbone interact. energy: -0.307 local terms energy: -289.705383 where: bonds (distance) C4'-P energy: -50.899 bonds (distance) P-C4' energy: -48.598 flat angles C4'-P-C4' energy: -65.566 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: -88.055 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: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -817.858918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.858918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.858918 (E_RNA) where: Base-Base interactions energy: -577.577 where: short stacking energy: -242.324 Base-Backbone interact. energy: 2.679 local terms energy: -242.961437 where: bonds (distance) C4'-P energy: -44.273 bonds (distance) P-C4' energy: -50.091 flat angles C4'-P-C4' energy: -49.347 flat angles P-C4'-P energy: -39.054 tors. eta vs tors. theta energy: -60.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -789.816091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.816091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.816091 (E_RNA) where: Base-Base interactions energy: -539.154 where: short stacking energy: -229.496 Base-Backbone interact. energy: -0.650 local terms energy: -250.011220 where: bonds (distance) C4'-P energy: -49.542 bonds (distance) P-C4' energy: -58.047 flat angles C4'-P-C4' energy: -55.784 flat angles P-C4'-P energy: -30.342 tors. eta vs tors. theta energy: -56.295 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: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -611.044305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.044305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.044305 (E_RNA) where: Base-Base interactions energy: -386.344 where: short stacking energy: -161.053 Base-Backbone interact. energy: -0.300 local terms energy: -224.400952 where: bonds (distance) C4'-P energy: -49.339 bonds (distance) P-C4' energy: -58.960 flat angles C4'-P-C4' energy: -49.098 flat angles P-C4'-P energy: -41.026 tors. eta vs tors. theta energy: -25.978 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: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -495.243165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.243165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.243165 (E_RNA) where: Base-Base interactions energy: -296.063 where: short stacking energy: -135.127 Base-Backbone interact. energy: 1.544 local terms energy: -200.724320 where: bonds (distance) C4'-P energy: -44.158 bonds (distance) P-C4' energy: -44.958 flat angles C4'-P-C4' energy: -55.449 flat angles P-C4'-P energy: -31.427 tors. eta vs tors. theta energy: -24.732 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: 445 Temperature: 1.350000 Total energy: -254.503788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.503788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.503788 (E_RNA) where: Base-Base interactions energy: -104.795 where: short stacking energy: -85.492 Base-Backbone interact. energy: -1.751 local terms energy: -147.957980 where: bonds (distance) C4'-P energy: -30.248 bonds (distance) P-C4' energy: -54.794 flat angles C4'-P-C4' energy: -36.975 flat angles P-C4'-P energy: -31.484 tors. eta vs tors. theta energy: 5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1046.015483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.015483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.015483 (E_RNA) where: Base-Base interactions energy: -729.295 where: short stacking energy: -307.414 Base-Backbone interact. energy: -0.292 local terms energy: -316.429407 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -55.947 flat angles C4'-P-C4' energy: -71.435 flat angles P-C4'-P energy: -42.836 tors. eta vs tors. theta energy: -90.788 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: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -995.787390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.787390 (E_RNA) where: Base-Base interactions energy: -691.329 where: short stacking energy: -314.319 Base-Backbone interact. energy: -1.771 local terms energy: -302.687321 where: bonds (distance) C4'-P energy: -61.530 bonds (distance) P-C4' energy: -58.174 flat angles C4'-P-C4' energy: -67.015 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: -82.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -991.987466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.987466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.987466 (E_RNA) where: Base-Base interactions energy: -688.753 where: short stacking energy: -298.940 Base-Backbone interact. energy: -1.553 local terms energy: -301.680760 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -51.915 flat angles C4'-P-C4' energy: -60.728 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -89.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -970.251099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.251099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.251099 (E_RNA) where: Base-Base interactions energy: -662.016 where: short stacking energy: -293.607 Base-Backbone interact. energy: 3.446 local terms energy: -311.681112 where: bonds (distance) C4'-P energy: -69.156 bonds (distance) P-C4' energy: -52.778 flat angles C4'-P-C4' energy: -63.386 flat angles P-C4'-P energy: -37.918 tors. eta vs tors. theta energy: -88.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -926.073606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.073606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.073606 (E_RNA) where: Base-Base interactions energy: -626.258 where: short stacking energy: -290.382 Base-Backbone interact. energy: -0.570 local terms energy: -299.244798 where: bonds (distance) C4'-P energy: -46.000 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -86.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -837.169748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.169748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.169748 (E_RNA) where: Base-Base interactions energy: -585.063 where: short stacking energy: -262.760 Base-Backbone interact. energy: -0.016 local terms energy: -252.090293 where: bonds (distance) C4'-P energy: -49.604 bonds (distance) P-C4' energy: -42.230 flat angles C4'-P-C4' energy: -54.584 flat angles P-C4'-P energy: -31.012 tors. eta vs tors. theta energy: -74.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -783.183581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.183581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.183581 (E_RNA) where: Base-Base interactions energy: -539.922 where: short stacking energy: -229.516 Base-Backbone interact. energy: -0.256 local terms energy: -243.006467 where: bonds (distance) C4'-P energy: -39.831 bonds (distance) P-C4' energy: -56.627 flat angles C4'-P-C4' energy: -51.940 flat angles P-C4'-P energy: -38.993 tors. eta vs tors. theta energy: -55.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -637.562322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.562322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.562322 (E_RNA) where: Base-Base interactions energy: -418.924 where: short stacking energy: -192.838 Base-Backbone interact. energy: -1.456 local terms energy: -217.181670 where: bonds (distance) C4'-P energy: -50.432 bonds (distance) P-C4' energy: -30.399 flat angles C4'-P-C4' energy: -55.448 flat angles P-C4'-P energy: -31.642 tors. eta vs tors. theta energy: -49.260 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: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -486.628089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.628089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.628089 (E_RNA) where: Base-Base interactions energy: -270.266 where: short stacking energy: -121.585 Base-Backbone interact. energy: -1.308 local terms energy: -215.054422 where: bonds (distance) C4'-P energy: -56.584 bonds (distance) P-C4' energy: -50.689 flat angles C4'-P-C4' energy: -51.632 flat angles P-C4'-P energy: -37.577 tors. eta vs tors. theta energy: -18.572 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: 446 Temperature: 1.350000 Total energy: -269.725092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.725092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.725092 (E_RNA) where: Base-Base interactions energy: -105.368 where: short stacking energy: -75.024 Base-Backbone interact. energy: -0.815 local terms energy: -163.542120 where: bonds (distance) C4'-P energy: -39.162 bonds (distance) P-C4' energy: -58.862 flat angles C4'-P-C4' energy: -44.731 flat angles P-C4'-P energy: -27.449 tors. eta vs tors. theta energy: 6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1061.678968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.678968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.678968 (E_RNA) where: Base-Base interactions energy: -736.813 where: short stacking energy: -310.786 Base-Backbone interact. energy: -2.511 local terms energy: -322.354585 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -50.383 flat angles C4'-P-C4' energy: -66.442 flat angles P-C4'-P energy: -51.031 tors. eta vs tors. theta energy: -90.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -997.559121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.559121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.559121 (E_RNA) where: Base-Base interactions energy: -683.359 where: short stacking energy: -300.009 Base-Backbone interact. energy: -0.157 local terms energy: -314.042885 where: bonds (distance) C4'-P energy: -63.246 bonds (distance) P-C4' energy: -59.648 flat angles C4'-P-C4' energy: -66.779 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -80.311 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: 447 Temperature: 1.000000 Total energy: -975.190002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.190002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.190002 (E_RNA) where: Base-Base interactions energy: -669.240 where: short stacking energy: -281.984 Base-Backbone interact. energy: 0.191 local terms energy: -306.140818 where: bonds (distance) C4'-P energy: -53.921 bonds (distance) P-C4' energy: -55.707 flat angles C4'-P-C4' energy: -65.144 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -84.733 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: 6 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -946.920989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.920989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.920989 (E_RNA) where: Base-Base interactions energy: -655.221 where: short stacking energy: -295.711 Base-Backbone interact. energy: -0.243 local terms energy: -291.457430 where: bonds (distance) C4'-P energy: -47.661 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -34.040 tors. eta vs tors. theta energy: -88.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -958.619342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.619342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.619342 (E_RNA) where: Base-Base interactions energy: -675.175 where: short stacking energy: -287.117 Base-Backbone interact. energy: -0.860 local terms energy: -282.584936 where: bonds (distance) C4'-P energy: -52.308 bonds (distance) P-C4' energy: -53.317 flat angles C4'-P-C4' energy: -60.092 flat angles P-C4'-P energy: -33.868 tors. eta vs tors. theta energy: -82.999 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: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -837.085370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.085370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.085370 (E_RNA) where: Base-Base interactions energy: -555.365 where: short stacking energy: -251.612 Base-Backbone interact. energy: -2.509 local terms energy: -279.211193 where: bonds (distance) C4'-P energy: -48.613 bonds (distance) P-C4' energy: -59.315 flat angles C4'-P-C4' energy: -61.369 flat angles P-C4'-P energy: -41.751 tors. eta vs tors. theta energy: -68.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -763.820260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.820260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.820260 (E_RNA) where: Base-Base interactions energy: -520.610 where: short stacking energy: -226.527 Base-Backbone interact. energy: -0.149 local terms energy: -243.060824 where: bonds (distance) C4'-P energy: -49.306 bonds (distance) P-C4' energy: -55.344 flat angles C4'-P-C4' energy: -51.122 flat angles P-C4'-P energy: -25.861 tors. eta vs tors. theta energy: -61.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -611.261918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.261918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.261918 (E_RNA) where: Base-Base interactions energy: -388.475 where: short stacking energy: -191.240 Base-Backbone interact. energy: 0.138 local terms energy: -222.925484 where: bonds (distance) C4'-P energy: -51.734 bonds (distance) P-C4' energy: -53.603 flat angles C4'-P-C4' energy: -46.757 flat angles P-C4'-P energy: -33.028 tors. eta vs tors. theta energy: -37.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -456.053967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.053967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.053967 (E_RNA) where: Base-Base interactions energy: -250.423 where: short stacking energy: -140.218 Base-Backbone interact. energy: -0.536 local terms energy: -205.095677 where: bonds (distance) C4'-P energy: -55.970 bonds (distance) P-C4' energy: -55.091 flat angles C4'-P-C4' energy: -48.164 flat angles P-C4'-P energy: -24.333 tors. eta vs tors. theta energy: -21.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -269.029740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.029740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.029740 (E_RNA) where: Base-Base interactions energy: -131.990 where: short stacking energy: -91.014 Base-Backbone interact. energy: 4.902 local terms energy: -141.941730 where: bonds (distance) C4'-P energy: -52.203 bonds (distance) P-C4' energy: -48.204 flat angles C4'-P-C4' energy: -38.856 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: 9.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1046.051463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.051463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.051463 (E_RNA) where: Base-Base interactions energy: -721.082 where: short stacking energy: -301.700 Base-Backbone interact. energy: -0.827 local terms energy: -324.141864 where: bonds (distance) C4'-P energy: -58.671 bonds (distance) P-C4' energy: -60.615 flat angles C4'-P-C4' energy: -67.494 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -88.833 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: 448 Temperature: 0.950000 Total energy: -988.443087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.443087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.443087 (E_RNA) where: Base-Base interactions energy: -677.535 where: short stacking energy: -306.063 Base-Backbone interact. energy: 0.667 local terms energy: -311.574644 where: bonds (distance) C4'-P energy: -54.394 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -68.484 flat angles P-C4'-P energy: -40.277 tors. eta vs tors. theta energy: -87.560 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: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -981.979707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.979707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.979707 (E_RNA) where: Base-Base interactions energy: -656.754 where: short stacking energy: -317.978 Base-Backbone interact. energy: -0.238 local terms energy: -324.987956 where: bonds (distance) C4'-P energy: -58.923 bonds (distance) P-C4' energy: -64.547 flat angles C4'-P-C4' energy: -62.975 flat angles P-C4'-P energy: -41.233 tors. eta vs tors. theta energy: -97.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -937.882852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.882852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.882852 (E_RNA) where: Base-Base interactions energy: -639.532 where: short stacking energy: -289.052 Base-Backbone interact. energy: -0.334 local terms energy: -298.016066 where: bonds (distance) C4'-P energy: -56.410 bonds (distance) P-C4' energy: -50.521 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -40.203 tors. eta vs tors. theta energy: -81.185 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: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -923.277662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.277662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.277662 (E_RNA) where: Base-Base interactions energy: -637.245 where: short stacking energy: -282.434 Base-Backbone interact. energy: -1.351 local terms energy: -284.682226 where: bonds (distance) C4'-P energy: -51.343 bonds (distance) P-C4' energy: -44.242 flat angles C4'-P-C4' energy: -59.704 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -79.174 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: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -840.744691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.744691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.744691 (E_RNA) where: Base-Base interactions energy: -556.306 where: short stacking energy: -260.334 Base-Backbone interact. energy: -1.052 local terms energy: -283.386613 where: bonds (distance) C4'-P energy: -53.425 bonds (distance) P-C4' energy: -48.242 flat angles C4'-P-C4' energy: -62.114 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: -75.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -801.258017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.258017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.258017 (E_RNA) where: Base-Base interactions energy: -541.829 where: short stacking energy: -223.857 Base-Backbone interact. energy: -1.208 local terms energy: -258.221253 where: bonds (distance) C4'-P energy: -57.262 bonds (distance) P-C4' energy: -43.847 flat angles C4'-P-C4' energy: -54.427 flat angles P-C4'-P energy: -38.776 tors. eta vs tors. theta energy: -63.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -609.821292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.821292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.821292 (E_RNA) where: Base-Base interactions energy: -393.062 where: short stacking energy: -175.391 Base-Backbone interact. energy: -0.058 local terms energy: -216.701083 where: bonds (distance) C4'-P energy: -59.578 bonds (distance) P-C4' energy: -50.023 flat angles C4'-P-C4' energy: -43.110 flat angles P-C4'-P energy: -30.961 tors. eta vs tors. theta energy: -33.029 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: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -421.875245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.875245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.875245 (E_RNA) where: Base-Base interactions energy: -246.770 where: short stacking energy: -138.059 Base-Backbone interact. energy: -1.116 local terms energy: -173.989460 where: bonds (distance) C4'-P energy: -39.093 bonds (distance) P-C4' energy: -49.558 flat angles C4'-P-C4' energy: -38.632 flat angles P-C4'-P energy: -23.349 tors. eta vs tors. theta energy: -23.358 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: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -253.546431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.546431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.546431 (E_RNA) where: Base-Base interactions energy: -88.197 where: short stacking energy: -80.984 Base-Backbone interact. energy: -0.490 local terms energy: -164.859328 where: bonds (distance) C4'-P energy: -39.079 bonds (distance) P-C4' energy: -57.212 flat angles C4'-P-C4' energy: -43.794 flat angles P-C4'-P energy: -31.318 tors. eta vs tors. theta energy: 6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1036.800991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.800991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.800991 (E_RNA) where: Base-Base interactions energy: -714.259 where: short stacking energy: -308.207 Base-Backbone interact. energy: -0.527 local terms energy: -322.014952 where: bonds (distance) C4'-P energy: -63.429 bonds (distance) P-C4' energy: -52.495 flat angles C4'-P-C4' energy: -64.709 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -94.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -987.638168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.638168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.638168 (E_RNA) where: Base-Base interactions energy: -688.256 where: short stacking energy: -298.983 Base-Backbone interact. energy: -1.825 local terms energy: -297.557751 where: bonds (distance) C4'-P energy: -44.881 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -67.235 flat angles P-C4'-P energy: -44.426 tors. eta vs tors. theta energy: -83.953 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: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -969.453169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.453169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.453169 (E_RNA) where: Base-Base interactions energy: -671.107 where: short stacking energy: -312.817 Base-Backbone interact. energy: 0.109 local terms energy: -298.454915 where: bonds (distance) C4'-P energy: -60.975 bonds (distance) P-C4' energy: -41.277 flat angles C4'-P-C4' energy: -64.605 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: -91.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -936.688946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.688946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.688946 (E_RNA) where: Base-Base interactions energy: -627.775 where: short stacking energy: -298.120 Base-Backbone interact. energy: -0.167 local terms energy: -308.746555 where: bonds (distance) C4'-P energy: -47.189 bonds (distance) P-C4' energy: -58.757 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -88.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -925.497475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.497475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.497475 (E_RNA) where: Base-Base interactions energy: -634.209 where: short stacking energy: -279.611 Base-Backbone interact. energy: 0.564 local terms energy: -291.852267 where: bonds (distance) C4'-P energy: -49.856 bonds (distance) P-C4' energy: -58.559 flat angles C4'-P-C4' energy: -54.288 flat angles P-C4'-P energy: -46.262 tors. eta vs tors. theta energy: -82.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -822.532207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.532207 (E_RNA) where: Base-Base interactions energy: -565.886 where: short stacking energy: -251.726 Base-Backbone interact. energy: -0.143 local terms energy: -256.503184 where: bonds (distance) C4'-P energy: -48.602 bonds (distance) P-C4' energy: -57.037 flat angles C4'-P-C4' energy: -49.075 flat angles P-C4'-P energy: -36.100 tors. eta vs tors. theta energy: -65.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -801.336382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.336382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.336382 (E_RNA) where: Base-Base interactions energy: -556.039 where: short stacking energy: -231.057 Base-Backbone interact. energy: -0.453 local terms energy: -244.844136 where: bonds (distance) C4'-P energy: -54.155 bonds (distance) P-C4' energy: -46.522 flat angles C4'-P-C4' energy: -56.774 flat angles P-C4'-P energy: -34.167 tors. eta vs tors. theta energy: -53.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -626.389114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.389114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.389114 (E_RNA) where: Base-Base interactions energy: -410.591 where: short stacking energy: -187.709 Base-Backbone interact. energy: 0.425 local terms energy: -216.223424 where: bonds (distance) C4'-P energy: -46.681 bonds (distance) P-C4' energy: -55.276 flat angles C4'-P-C4' energy: -44.943 flat angles P-C4'-P energy: -40.064 tors. eta vs tors. theta energy: -29.260 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: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -387.692890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.692890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.692890 (E_RNA) where: Base-Base interactions energy: -204.189 where: short stacking energy: -128.912 Base-Backbone interact. energy: -0.159 local terms energy: -183.345151 where: bonds (distance) C4'-P energy: -43.031 bonds (distance) P-C4' energy: -44.672 flat angles C4'-P-C4' energy: -49.473 flat angles P-C4'-P energy: -22.022 tors. eta vs tors. theta energy: -24.147 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: 449 Temperature: 1.350000 Total energy: -271.874416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.874416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.874416 (E_RNA) where: Base-Base interactions energy: -118.966 where: short stacking energy: -81.311 Base-Backbone interact. energy: -0.651 local terms energy: -152.257762 where: bonds (distance) C4'-P energy: -39.526 bonds (distance) P-C4' energy: -60.133 flat angles C4'-P-C4' energy: -47.873 flat angles P-C4'-P energy: -13.742 tors. eta vs tors. theta energy: 9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1053.838594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.838594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.838594 (E_RNA) where: Base-Base interactions energy: -735.509 where: short stacking energy: -318.997 Base-Backbone interact. energy: -1.160 local terms energy: -317.169897 where: bonds (distance) C4'-P energy: -49.628 bonds (distance) P-C4' energy: -61.281 flat angles C4'-P-C4' energy: -73.341 flat angles P-C4'-P energy: -47.448 tors. eta vs tors. theta energy: -85.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1021.656891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.656891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.656891 (E_RNA) where: Base-Base interactions energy: -701.571 where: short stacking energy: -300.701 Base-Backbone interact. energy: 0.300 local terms energy: -320.386239 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -71.415 flat angles P-C4'-P energy: -49.780 tors. eta vs tors. theta energy: -86.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -970.901091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.901091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.901091 (E_RNA) where: Base-Base interactions energy: -666.896 where: short stacking energy: -323.068 Base-Backbone interact. energy: -0.942 local terms energy: -303.063225 where: bonds (distance) C4'-P energy: -50.360 bonds (distance) P-C4' energy: -51.742 flat angles C4'-P-C4' energy: -67.010 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: -92.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -912.674336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.674336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.674336 (E_RNA) where: Base-Base interactions energy: -615.896 where: short stacking energy: -264.400 Base-Backbone interact. energy: -0.122 local terms energy: -296.656552 where: bonds (distance) C4'-P energy: -62.203 bonds (distance) P-C4' energy: -50.026 flat angles C4'-P-C4' energy: -66.279 flat angles P-C4'-P energy: -38.888 tors. eta vs tors. theta energy: -79.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -940.256022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.256022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.256022 (E_RNA) where: Base-Base interactions energy: -642.059 where: short stacking energy: -290.161 Base-Backbone interact. energy: 1.276 local terms energy: -299.472990 where: bonds (distance) C4'-P energy: -48.386 bonds (distance) P-C4' energy: -58.708 flat angles C4'-P-C4' energy: -67.169 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -83.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -829.822612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.822612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.822612 (E_RNA) where: Base-Base interactions energy: -560.752 where: short stacking energy: -257.388 Base-Backbone interact. energy: -1.023 local terms energy: -268.047572 where: bonds (distance) C4'-P energy: -46.781 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -56.318 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: -64.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -775.839633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.839633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.839633 (E_RNA) where: Base-Base interactions energy: -537.418 where: short stacking energy: -225.868 Base-Backbone interact. energy: -1.199 local terms energy: -237.222656 where: bonds (distance) C4'-P energy: -36.630 bonds (distance) P-C4' energy: -52.680 flat angles C4'-P-C4' energy: -57.409 flat angles P-C4'-P energy: -30.196 tors. eta vs tors. theta energy: -60.308 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: 8 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -618.734624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.734624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.734624 (E_RNA) where: Base-Base interactions energy: -407.720 where: short stacking energy: -182.486 Base-Backbone interact. energy: 0.994 local terms energy: -212.008069 where: bonds (distance) C4'-P energy: -42.879 bonds (distance) P-C4' energy: -48.796 flat angles C4'-P-C4' energy: -51.567 flat angles P-C4'-P energy: -41.102 tors. eta vs tors. theta energy: -27.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -407.685565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.685565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.685565 (E_RNA) where: Base-Base interactions energy: -211.236 where: short stacking energy: -102.566 Base-Backbone interact. energy: 0.022 local terms energy: -196.471679 where: bonds (distance) C4'-P energy: -52.371 bonds (distance) P-C4' energy: -56.258 flat angles C4'-P-C4' energy: -46.230 flat angles P-C4'-P energy: -23.968 tors. eta vs tors. theta energy: -17.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -245.408684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.408684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.408684 (E_RNA) where: Base-Base interactions energy: -69.770 where: short stacking energy: -44.533 Base-Backbone interact. energy: 3.188 local terms energy: -178.826110 where: bonds (distance) C4'-P energy: -59.766 bonds (distance) P-C4' energy: -46.403 flat angles C4'-P-C4' energy: -55.862 flat angles P-C4'-P energy: -27.985 tors. eta vs tors. theta energy: 11.191 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: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1051.874688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.874688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.874688 (E_RNA) where: Base-Base interactions energy: -734.046 where: short stacking energy: -327.056 Base-Backbone interact. energy: -0.368 local terms energy: -317.460577 where: bonds (distance) C4'-P energy: -56.612 bonds (distance) P-C4' energy: -62.819 flat angles C4'-P-C4' energy: -63.178 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -89.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1016.923725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.923725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.923725 (E_RNA) where: Base-Base interactions energy: -704.384 where: short stacking energy: -316.204 Base-Backbone interact. energy: -2.966 local terms energy: -309.573734 where: bonds (distance) C4'-P energy: -58.195 bonds (distance) P-C4' energy: -58.895 flat angles C4'-P-C4' energy: -61.757 flat angles P-C4'-P energy: -38.452 tors. eta vs tors. theta energy: -92.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -953.102659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.102659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.102659 (E_RNA) where: Base-Base interactions energy: -645.669 where: short stacking energy: -295.747 Base-Backbone interact. energy: -0.836 local terms energy: -306.598150 where: bonds (distance) C4'-P energy: -54.476 bonds (distance) P-C4' energy: -53.245 flat angles C4'-P-C4' energy: -66.673 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -84.747 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: 451 Temperature: 1.050000 Total energy: -941.946298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.946298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.946298 (E_RNA) where: Base-Base interactions energy: -636.131 where: short stacking energy: -282.422 Base-Backbone interact. energy: -1.073 local terms energy: -304.742579 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -62.703 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -82.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -900.493631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.493631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.493631 (E_RNA) where: Base-Base interactions energy: -620.705 where: short stacking energy: -271.301 Base-Backbone interact. energy: 1.102 local terms energy: -280.891531 where: bonds (distance) C4'-P energy: -51.832 bonds (distance) P-C4' energy: -47.317 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -34.438 tors. eta vs tors. theta energy: -86.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -811.150905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.150905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.150905 (E_RNA) where: Base-Base interactions energy: -550.817 where: short stacking energy: -250.927 Base-Backbone interact. energy: -0.546 local terms energy: -259.788733 where: bonds (distance) C4'-P energy: -47.989 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -54.362 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -58.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -771.769312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.769312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.769312 (E_RNA) where: Base-Base interactions energy: -532.417 where: short stacking energy: -227.567 Base-Backbone interact. energy: 5.087 local terms energy: -244.438542 where: bonds (distance) C4'-P energy: -44.786 bonds (distance) P-C4' energy: -53.982 flat angles C4'-P-C4' energy: -54.390 flat angles P-C4'-P energy: -37.795 tors. eta vs tors. theta energy: -53.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -653.650102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.650102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.650102 (E_RNA) where: Base-Base interactions energy: -433.157 where: short stacking energy: -189.213 Base-Backbone interact. energy: 0.388 local terms energy: -220.881452 where: bonds (distance) C4'-P energy: -45.321 bonds (distance) P-C4' energy: -53.838 flat angles C4'-P-C4' energy: -56.614 flat angles P-C4'-P energy: -29.191 tors. eta vs tors. theta energy: -35.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -447.840022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.840022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.840022 (E_RNA) where: Base-Base interactions energy: -252.969 where: short stacking energy: -128.313 Base-Backbone interact. energy: -0.401 local terms energy: -194.470864 where: bonds (distance) C4'-P energy: -44.488 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -48.820 flat angles P-C4'-P energy: -26.325 tors. eta vs tors. theta energy: -17.110 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: 451 Temperature: 1.350000 Total energy: -284.393528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.393528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.393528 (E_RNA) where: Base-Base interactions energy: -113.226 where: short stacking energy: -77.992 Base-Backbone interact. energy: -1.809 local terms energy: -169.358457 where: bonds (distance) C4'-P energy: -47.351 bonds (distance) P-C4' energy: -52.159 flat angles C4'-P-C4' energy: -43.529 flat angles P-C4'-P energy: -21.374 tors. eta vs tors. theta energy: -4.944 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: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1035.999540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.999540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.999540 (E_RNA) where: Base-Base interactions energy: -726.656 where: short stacking energy: -321.290 Base-Backbone interact. energy: -0.681 local terms energy: -308.662898 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -65.761 flat angles P-C4'-P energy: -40.327 tors. eta vs tors. theta energy: -84.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1015.989770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.989770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.989770 (E_RNA) where: Base-Base interactions energy: -702.379 where: short stacking energy: -301.217 Base-Backbone interact. energy: 0.362 local terms energy: -313.972606 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -62.249 flat angles C4'-P-C4' energy: -67.289 flat angles P-C4'-P energy: -43.523 tors. eta vs tors. theta energy: -81.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -961.975510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.975510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.975510 (E_RNA) where: Base-Base interactions energy: -660.376 where: short stacking energy: -291.822 Base-Backbone interact. energy: -0.419 local terms energy: -301.180439 where: bonds (distance) C4'-P energy: -57.782 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -59.961 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -85.102 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: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -953.656884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.656884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.656884 (E_RNA) where: Base-Base interactions energy: -659.238 where: short stacking energy: -292.265 Base-Backbone interact. energy: 0.332 local terms energy: -294.750097 where: bonds (distance) C4'-P energy: -48.467 bonds (distance) P-C4' energy: -54.782 flat angles C4'-P-C4' energy: -63.324 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -84.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -886.932954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.932954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.932954 (E_RNA) where: Base-Base interactions energy: -616.871 where: short stacking energy: -260.056 Base-Backbone interact. energy: -0.589 local terms energy: -269.473060 where: bonds (distance) C4'-P energy: -56.550 bonds (distance) P-C4' energy: -46.689 flat angles C4'-P-C4' energy: -61.532 flat angles P-C4'-P energy: -38.897 tors. eta vs tors. theta energy: -65.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -816.553421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.553421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.553421 (E_RNA) where: Base-Base interactions energy: -549.539 where: short stacking energy: -234.876 Base-Backbone interact. energy: -0.779 local terms energy: -266.235803 where: bonds (distance) C4'-P energy: -59.407 bonds (distance) P-C4' energy: -49.778 flat angles C4'-P-C4' energy: -49.867 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -61.557 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: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -814.583422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.583422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.583422 (E_RNA) where: Base-Base interactions energy: -569.653 where: short stacking energy: -233.895 Base-Backbone interact. energy: -0.673 local terms energy: -244.256967 where: bonds (distance) C4'-P energy: -43.569 bonds (distance) P-C4' energy: -45.023 flat angles C4'-P-C4' energy: -58.669 flat angles P-C4'-P energy: -35.301 tors. eta vs tors. theta energy: -61.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -624.528980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.528980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.528980 (E_RNA) where: Base-Base interactions energy: -405.229 where: short stacking energy: -166.734 Base-Backbone interact. energy: 1.438 local terms energy: -220.738641 where: bonds (distance) C4'-P energy: -46.538 bonds (distance) P-C4' energy: -53.056 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -23.730 tors. eta vs tors. theta energy: -39.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -479.182402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.182402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.182402 (E_RNA) where: Base-Base interactions energy: -287.385 where: short stacking energy: -134.344 Base-Backbone interact. energy: -1.653 local terms energy: -190.143567 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -28.128 flat angles C4'-P-C4' energy: -54.403 flat angles P-C4'-P energy: -33.908 tors. eta vs tors. theta energy: -18.519 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: 452 Temperature: 1.350000 Total energy: -281.726368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.726368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.726368 (E_RNA) where: Base-Base interactions energy: -120.929 where: short stacking energy: -81.984 Base-Backbone interact. energy: -0.493 local terms energy: -160.304876 where: bonds (distance) C4'-P energy: -34.844 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -35.120 flat angles P-C4'-P energy: -22.576 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1051.761858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.761858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.761858 (E_RNA) where: Base-Base interactions energy: -727.329 where: short stacking energy: -329.583 Base-Backbone interact. energy: -1.585 local terms energy: -322.847313 where: bonds (distance) C4'-P energy: -57.414 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -62.443 flat angles P-C4'-P energy: -44.443 tors. eta vs tors. theta energy: -96.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1019.047605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.047605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.047605 (E_RNA) where: Base-Base interactions energy: -708.744 where: short stacking energy: -299.002 Base-Backbone interact. energy: -1.094 local terms energy: -309.210251 where: bonds (distance) C4'-P energy: -62.368 bonds (distance) P-C4' energy: -62.103 flat angles C4'-P-C4' energy: -60.655 flat angles P-C4'-P energy: -37.887 tors. eta vs tors. theta energy: -86.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -997.358731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.358731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.358731 (E_RNA) where: Base-Base interactions energy: -697.324 where: short stacking energy: -307.286 Base-Backbone interact. energy: -0.536 local terms energy: -299.498525 where: bonds (distance) C4'-P energy: -58.594 bonds (distance) P-C4' energy: -39.709 flat angles C4'-P-C4' energy: -63.622 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -93.840 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -935.932162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.932162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.932162 (E_RNA) where: Base-Base interactions energy: -645.553 where: short stacking energy: -293.139 Base-Backbone interact. energy: -0.121 local terms energy: -290.259035 where: bonds (distance) C4'-P energy: -43.772 bonds (distance) P-C4' energy: -51.835 flat angles C4'-P-C4' energy: -63.800 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -87.123 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: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -921.973065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.973065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.973065 (E_RNA) where: Base-Base interactions energy: -649.149 where: short stacking energy: -279.629 Base-Backbone interact. energy: -0.973 local terms energy: -271.850594 where: bonds (distance) C4'-P energy: -40.625 bonds (distance) P-C4' energy: -45.532 flat angles C4'-P-C4' energy: -60.049 flat angles P-C4'-P energy: -42.713 tors. eta vs tors. theta energy: -82.932 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: 453 Temperature: 1.150000 Total energy: -829.345531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.345531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.345531 (E_RNA) where: Base-Base interactions energy: -574.496 where: short stacking energy: -245.606 Base-Backbone interact. energy: -0.421 local terms energy: -254.428664 where: bonds (distance) C4'-P energy: -37.439 bonds (distance) P-C4' energy: -54.603 flat angles C4'-P-C4' energy: -59.557 flat angles P-C4'-P energy: -40.414 tors. eta vs tors. theta energy: -62.416 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: 453 Temperature: 1.200000 Total energy: -795.222058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.222058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.222058 (E_RNA) where: Base-Base interactions energy: -553.555 where: short stacking energy: -229.408 Base-Backbone interact. energy: -0.694 local terms energy: -240.973049 where: bonds (distance) C4'-P energy: -43.995 bonds (distance) P-C4' energy: -45.408 flat angles C4'-P-C4' energy: -53.655 flat angles P-C4'-P energy: -29.197 tors. eta vs tors. theta energy: -68.719 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: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -681.182011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.182011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.182011 (E_RNA) where: Base-Base interactions energy: -441.278 where: short stacking energy: -182.526 Base-Backbone interact. energy: -0.933 local terms energy: -238.970692 where: bonds (distance) C4'-P energy: -57.526 bonds (distance) P-C4' energy: -50.952 flat angles C4'-P-C4' energy: -51.180 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -33.230 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: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -494.807928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.807928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.807928 (E_RNA) where: Base-Base interactions energy: -296.807 where: short stacking energy: -134.952 Base-Backbone interact. energy: 1.134 local terms energy: -199.134493 where: bonds (distance) C4'-P energy: -45.363 bonds (distance) P-C4' energy: -58.900 flat angles C4'-P-C4' energy: -48.264 flat angles P-C4'-P energy: -23.690 tors. eta vs tors. theta energy: -22.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -273.242995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.242995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.242995 (E_RNA) where: Base-Base interactions energy: -84.371 where: short stacking energy: -82.844 Base-Backbone interact. energy: 3.692 local terms energy: -192.564004 where: bonds (distance) C4'-P energy: -55.494 bonds (distance) P-C4' energy: -49.967 flat angles C4'-P-C4' energy: -51.543 flat angles P-C4'-P energy: -35.191 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1046.517048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.517048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.517048 (E_RNA) where: Base-Base interactions energy: -733.538 where: short stacking energy: -311.926 Base-Backbone interact. energy: -1.697 local terms energy: -311.282443 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -32.032 tors. eta vs tors. theta energy: -95.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1023.536219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.536219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.536219 (E_RNA) where: Base-Base interactions energy: -709.546 where: short stacking energy: -305.406 Base-Backbone interact. energy: -0.952 local terms energy: -313.039079 where: bonds (distance) C4'-P energy: -54.860 bonds (distance) P-C4' energy: -60.531 flat angles C4'-P-C4' energy: -68.461 flat angles P-C4'-P energy: -45.496 tors. eta vs tors. theta energy: -83.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -964.915040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.915040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.915040 (E_RNA) where: Base-Base interactions energy: -648.442 where: short stacking energy: -290.737 Base-Backbone interact. energy: -0.206 local terms energy: -316.267045 where: bonds (distance) C4'-P energy: -61.749 bonds (distance) P-C4' energy: -62.281 flat angles C4'-P-C4' energy: -61.876 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: -86.703 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: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -982.950843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.950843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.950843 (E_RNA) where: Base-Base interactions energy: -696.245 where: short stacking energy: -297.497 Base-Backbone interact. energy: -0.529 local terms energy: -286.176729 where: bonds (distance) C4'-P energy: -50.928 bonds (distance) P-C4' energy: -53.186 flat angles C4'-P-C4' energy: -56.856 flat angles P-C4'-P energy: -34.177 tors. eta vs tors. theta energy: -91.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -905.234555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.234555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.234555 (E_RNA) where: Base-Base interactions energy: -604.551 where: short stacking energy: -268.485 Base-Backbone interact. energy: -1.620 local terms energy: -299.063618 where: bonds (distance) C4'-P energy: -49.544 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -63.198 flat angles P-C4'-P energy: -35.914 tors. eta vs tors. theta energy: -88.447 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: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -846.439159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.439159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.439159 (E_RNA) where: Base-Base interactions energy: -575.424 where: short stacking energy: -237.581 Base-Backbone interact. energy: -2.748 local terms energy: -268.267108 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -52.345 flat angles C4'-P-C4' energy: -54.982 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -70.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -774.273701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.273701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.273701 (E_RNA) where: Base-Base interactions energy: -527.733 where: short stacking energy: -226.937 Base-Backbone interact. energy: 0.400 local terms energy: -246.940502 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -49.080 flat angles C4'-P-C4' energy: -44.846 flat angles P-C4'-P energy: -32.206 tors. eta vs tors. theta energy: -69.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -683.281966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.281966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.281966 (E_RNA) where: Base-Base interactions energy: -461.126 where: short stacking energy: -192.433 Base-Backbone interact. energy: -1.761 local terms energy: -220.395544 where: bonds (distance) C4'-P energy: -53.069 bonds (distance) P-C4' energy: -49.312 flat angles C4'-P-C4' energy: -48.918 flat angles P-C4'-P energy: -31.254 tors. eta vs tors. theta energy: -37.843 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: 1 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -493.369842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.369842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.369842 (E_RNA) where: Base-Base interactions energy: -294.567 where: short stacking energy: -127.306 Base-Backbone interact. energy: -0.643 local terms energy: -198.159263 where: bonds (distance) C4'-P energy: -40.640 bonds (distance) P-C4' energy: -54.751 flat angles C4'-P-C4' energy: -48.150 flat angles P-C4'-P energy: -34.706 tors. eta vs tors. theta energy: -19.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -253.047052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.047052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.047052 (E_RNA) where: Base-Base interactions energy: -103.389 where: short stacking energy: -82.011 Base-Backbone interact. energy: -0.793 local terms energy: -148.865614 where: bonds (distance) C4'-P energy: -46.253 bonds (distance) P-C4' energy: -44.411 flat angles C4'-P-C4' energy: -42.348 flat angles P-C4'-P energy: -27.079 tors. eta vs tors. theta energy: 11.225 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: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1042.706123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.706123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.706123 (E_RNA) where: Base-Base interactions energy: -729.225 where: short stacking energy: -328.864 Base-Backbone interact. energy: -1.631 local terms energy: -311.849740 where: bonds (distance) C4'-P energy: -43.697 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: -95.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1007.179734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.179734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.179734 (E_RNA) where: Base-Base interactions energy: -694.277 where: short stacking energy: -293.352 Base-Backbone interact. energy: -1.551 local terms energy: -311.352013 where: bonds (distance) C4'-P energy: -58.614 bonds (distance) P-C4' energy: -61.401 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -81.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -951.895570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.895570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.895570 (E_RNA) where: Base-Base interactions energy: -643.836 where: short stacking energy: -295.913 Base-Backbone interact. energy: -0.240 local terms energy: -307.819808 where: bonds (distance) C4'-P energy: -53.900 bonds (distance) P-C4' energy: -61.492 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -36.946 tors. eta vs tors. theta energy: -82.993 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: 455 Temperature: 1.050000 Total energy: -970.024337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.024337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.024337 (E_RNA) where: Base-Base interactions energy: -683.605 where: short stacking energy: -300.936 Base-Backbone interact. energy: -0.759 local terms energy: -285.660587 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -44.871 flat angles C4'-P-C4' energy: -61.634 flat angles P-C4'-P energy: -42.122 tors. eta vs tors. theta energy: -83.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -907.844157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.844157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.844157 (E_RNA) where: Base-Base interactions energy: -615.018 where: short stacking energy: -268.878 Base-Backbone interact. energy: -0.638 local terms energy: -292.188187 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -51.806 flat angles C4'-P-C4' energy: -57.551 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -81.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -831.235087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.235087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.235087 (E_RNA) where: Base-Base interactions energy: -574.680 where: short stacking energy: -251.361 Base-Backbone interact. energy: -1.009 local terms energy: -255.546102 where: bonds (distance) C4'-P energy: -51.785 bonds (distance) P-C4' energy: -43.534 flat angles C4'-P-C4' energy: -54.803 flat angles P-C4'-P energy: -43.067 tors. eta vs tors. theta energy: -62.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -801.296515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.296515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.296515 (E_RNA) where: Base-Base interactions energy: -553.719 where: short stacking energy: -241.635 Base-Backbone interact. energy: -0.835 local terms energy: -246.742247 where: bonds (distance) C4'-P energy: -43.197 bonds (distance) P-C4' energy: -55.995 flat angles C4'-P-C4' energy: -51.907 flat angles P-C4'-P energy: -37.261 tors. eta vs tors. theta energy: -58.382 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: 8, replica: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -673.598884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.598884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.598884 (E_RNA) where: Base-Base interactions energy: -462.810 where: short stacking energy: -209.918 Base-Backbone interact. energy: -2.226 local terms energy: -208.562410 where: bonds (distance) C4'-P energy: -40.626 bonds (distance) P-C4' energy: -51.492 flat angles C4'-P-C4' energy: -48.856 flat angles P-C4'-P energy: -29.745 tors. eta vs tors. theta energy: -37.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -480.249535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.249535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.249535 (E_RNA) where: Base-Base interactions energy: -278.793 where: short stacking energy: -159.564 Base-Backbone interact. energy: 1.718 local terms energy: -203.173960 where: bonds (distance) C4'-P energy: -52.285 bonds (distance) P-C4' energy: -56.378 flat angles C4'-P-C4' energy: -44.141 flat angles P-C4'-P energy: -26.746 tors. eta vs tors. theta energy: -23.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -266.587022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.587022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.587022 (E_RNA) where: Base-Base interactions energy: -111.347 where: short stacking energy: -94.239 Base-Backbone interact. energy: 4.396 local terms energy: -159.636829 where: bonds (distance) C4'-P energy: -35.538 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -37.480 flat angles P-C4'-P energy: -19.004 tors. eta vs tors. theta energy: -8.757 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: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1046.360939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.360939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.360939 (E_RNA) where: Base-Base interactions energy: -719.663 where: short stacking energy: -320.888 Base-Backbone interact. energy: -0.970 local terms energy: -325.728306 where: bonds (distance) C4'-P energy: -51.857 bonds (distance) P-C4' energy: -67.639 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -48.200 tors. eta vs tors. theta energy: -93.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1022.481476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.481476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.481476 (E_RNA) where: Base-Base interactions energy: -709.813 where: short stacking energy: -311.361 Base-Backbone interact. energy: -1.048 local terms energy: -311.620075 where: bonds (distance) C4'-P energy: -63.121 bonds (distance) P-C4' energy: -59.291 flat angles C4'-P-C4' energy: -62.294 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: -85.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -983.376992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.376992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.376992 (E_RNA) where: Base-Base interactions energy: -690.040 where: short stacking energy: -309.599 Base-Backbone interact. energy: -0.768 local terms energy: -292.569154 where: bonds (distance) C4'-P energy: -52.122 bonds (distance) P-C4' energy: -56.573 flat angles C4'-P-C4' energy: -58.721 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -80.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -935.627768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.627768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.627768 (E_RNA) where: Base-Base interactions energy: -643.677 where: short stacking energy: -289.161 Base-Backbone interact. energy: -0.448 local terms energy: -291.502106 where: bonds (distance) C4'-P energy: -46.634 bonds (distance) P-C4' energy: -61.579 flat angles C4'-P-C4' energy: -58.974 flat angles P-C4'-P energy: -36.881 tors. eta vs tors. theta energy: -87.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -935.966063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.966063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.966063 (E_RNA) where: Base-Base interactions energy: -643.642 where: short stacking energy: -281.599 Base-Backbone interact. energy: -2.437 local terms energy: -289.886249 where: bonds (distance) C4'-P energy: -49.263 bonds (distance) P-C4' energy: -51.144 flat angles C4'-P-C4' energy: -63.740 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -79.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -861.396777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.396777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.396777 (E_RNA) where: Base-Base interactions energy: -596.582 where: short stacking energy: -269.183 Base-Backbone interact. energy: 0.454 local terms energy: -265.268833 where: bonds (distance) C4'-P energy: -52.138 bonds (distance) P-C4' energy: -50.173 flat angles C4'-P-C4' energy: -57.076 flat angles P-C4'-P energy: -27.547 tors. eta vs tors. theta energy: -78.334 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: 456 Temperature: 1.200000 Total energy: -746.221078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.221078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.221078 (E_RNA) where: Base-Base interactions energy: -532.345 where: short stacking energy: -231.010 Base-Backbone interact. energy: 1.600 local terms energy: -215.475687 where: bonds (distance) C4'-P energy: -40.850 bonds (distance) P-C4' energy: -36.422 flat angles C4'-P-C4' energy: -56.771 flat angles P-C4'-P energy: -34.398 tors. eta vs tors. theta energy: -47.035 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: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -657.756414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.756414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.756414 (E_RNA) where: Base-Base interactions energy: -428.718 where: short stacking energy: -192.572 Base-Backbone interact. energy: 1.234 local terms energy: -230.272007 where: bonds (distance) C4'-P energy: -53.239 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -49.315 flat angles P-C4'-P energy: -30.533 tors. eta vs tors. theta energy: -40.575 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: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -461.508222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.508222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.508222 (E_RNA) where: Base-Base interactions energy: -271.921 where: short stacking energy: -120.617 Base-Backbone interact. energy: -0.786 local terms energy: -188.801283 where: bonds (distance) C4'-P energy: -50.820 bonds (distance) P-C4' energy: -50.271 flat angles C4'-P-C4' energy: -42.759 flat angles P-C4'-P energy: -38.167 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -250.053361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.053361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.053361 (E_RNA) where: Base-Base interactions energy: -100.468 where: short stacking energy: -79.326 Base-Backbone interact. energy: 2.524 local terms energy: -152.108978 where: bonds (distance) C4'-P energy: -49.216 bonds (distance) P-C4' energy: -47.984 flat angles C4'-P-C4' energy: -46.906 flat angles P-C4'-P energy: -13.494 tors. eta vs tors. theta energy: 5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1033.560037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.560037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.560037 (E_RNA) where: Base-Base interactions energy: -697.200 where: short stacking energy: -303.843 Base-Backbone interact. energy: -2.063 local terms energy: -334.297076 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -78.370 flat angles P-C4'-P energy: -44.617 tors. eta vs tors. theta energy: -92.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1024.222604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.222604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.222604 (E_RNA) where: Base-Base interactions energy: -716.694 where: short stacking energy: -316.458 Base-Backbone interact. energy: -0.739 local terms energy: -306.789269 where: bonds (distance) C4'-P energy: -61.174 bonds (distance) P-C4' energy: -52.453 flat angles C4'-P-C4' energy: -68.833 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: -87.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1003.296462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.296462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.296462 (E_RNA) where: Base-Base interactions energy: -694.437 where: short stacking energy: -325.774 Base-Backbone interact. energy: -0.376 local terms energy: -308.483658 where: bonds (distance) C4'-P energy: -46.795 bonds (distance) P-C4' energy: -67.887 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -37.048 tors. eta vs tors. theta energy: -95.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -970.112635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.112635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.112635 (E_RNA) where: Base-Base interactions energy: -672.835 where: short stacking energy: -290.277 Base-Backbone interact. energy: -0.183 local terms energy: -297.095001 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -52.783 flat angles C4'-P-C4' energy: -63.741 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -85.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -946.220143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.220143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.220143 (E_RNA) where: Base-Base interactions energy: -636.842 where: short stacking energy: -276.607 Base-Backbone interact. energy: 1.211 local terms energy: -310.588889 where: bonds (distance) C4'-P energy: -55.480 bonds (distance) P-C4' energy: -61.222 flat angles C4'-P-C4' energy: -62.830 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -85.377 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: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -866.016597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.016597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.016597 (E_RNA) where: Base-Base interactions energy: -579.303 where: short stacking energy: -268.953 Base-Backbone interact. energy: -1.697 local terms energy: -285.016145 where: bonds (distance) C4'-P energy: -43.553 bonds (distance) P-C4' energy: -56.926 flat angles C4'-P-C4' energy: -66.880 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -71.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -769.336372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.336372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.336372 (E_RNA) where: Base-Base interactions energy: -525.529 where: short stacking energy: -221.542 Base-Backbone interact. energy: -1.907 local terms energy: -241.900116 where: bonds (distance) C4'-P energy: -55.152 bonds (distance) P-C4' energy: -41.091 flat angles C4'-P-C4' energy: -44.477 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: -63.721 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: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -675.076892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.076892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.076892 (E_RNA) where: Base-Base interactions energy: -468.416 where: short stacking energy: -198.712 Base-Backbone interact. energy: -0.731 local terms energy: -205.929897 where: bonds (distance) C4'-P energy: -39.869 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -38.252 flat angles P-C4'-P energy: -28.911 tors. eta vs tors. theta energy: -37.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -509.632443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.632443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.632443 (E_RNA) where: Base-Base interactions energy: -317.936 where: short stacking energy: -148.576 Base-Backbone interact. energy: -1.874 local terms energy: -189.822366 where: bonds (distance) C4'-P energy: -45.273 bonds (distance) P-C4' energy: -39.987 flat angles C4'-P-C4' energy: -48.255 flat angles P-C4'-P energy: -29.395 tors. eta vs tors. theta energy: -26.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -309.586158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.586158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.586158 (E_RNA) where: Base-Base interactions energy: -153.888 where: short stacking energy: -88.133 Base-Backbone interact. energy: -1.224 local terms energy: -154.473729 where: bonds (distance) C4'-P energy: -52.635 bonds (distance) P-C4' energy: -51.232 flat angles C4'-P-C4' energy: -33.208 flat angles P-C4'-P energy: -22.871 tors. eta vs tors. theta energy: 5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1026.989096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.989096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.989096 (E_RNA) where: Base-Base interactions energy: -704.510 where: short stacking energy: -309.926 Base-Backbone interact. energy: -0.858 local terms energy: -321.620735 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -60.168 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -94.548 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: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1031.009014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.009014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.009014 (E_RNA) where: Base-Base interactions energy: -693.783 where: short stacking energy: -313.547 Base-Backbone interact. energy: -1.594 local terms energy: -335.632105 where: bonds (distance) C4'-P energy: -59.770 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -68.420 flat angles P-C4'-P energy: -47.388 tors. eta vs tors. theta energy: -96.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1010.688348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.688348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.688348 (E_RNA) where: Base-Base interactions energy: -697.078 where: short stacking energy: -313.267 Base-Backbone interact. energy: -0.276 local terms energy: -313.334565 where: bonds (distance) C4'-P energy: -48.881 bonds (distance) P-C4' energy: -58.210 flat angles C4'-P-C4' energy: -67.866 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -90.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -967.553937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.553937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.553937 (E_RNA) where: Base-Base interactions energy: -674.313 where: short stacking energy: -300.444 Base-Backbone interact. energy: -1.247 local terms energy: -291.994544 where: bonds (distance) C4'-P energy: -50.953 bonds (distance) P-C4' energy: -55.803 flat angles C4'-P-C4' energy: -61.752 flat angles P-C4'-P energy: -41.000 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: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -937.078836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.078836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.078836 (E_RNA) where: Base-Base interactions energy: -645.634 where: short stacking energy: -266.017 Base-Backbone interact. energy: -1.467 local terms energy: -289.978044 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -48.171 flat angles C4'-P-C4' energy: -60.891 flat angles P-C4'-P energy: -42.114 tors. eta vs tors. theta energy: -81.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -857.157503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.157503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.157503 (E_RNA) where: Base-Base interactions energy: -586.193 where: short stacking energy: -243.905 Base-Backbone interact. energy: -0.649 local terms energy: -270.314941 where: bonds (distance) C4'-P energy: -53.058 bonds (distance) P-C4' energy: -50.083 flat angles C4'-P-C4' energy: -56.060 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -71.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -730.726794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.726794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.726794 (E_RNA) where: Base-Base interactions energy: -484.575 where: short stacking energy: -217.348 Base-Backbone interact. energy: -2.551 local terms energy: -243.601467 where: bonds (distance) C4'-P energy: -38.898 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -54.768 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -42.873 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: 458 Temperature: 1.250000 Total energy: -701.033027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.033027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.033027 (E_RNA) where: Base-Base interactions energy: -499.317 where: short stacking energy: -198.298 Base-Backbone interact. energy: -0.720 local terms energy: -200.996502 where: bonds (distance) C4'-P energy: -44.343 bonds (distance) P-C4' energy: -35.795 flat angles C4'-P-C4' energy: -44.843 flat angles P-C4'-P energy: -32.444 tors. eta vs tors. theta energy: -43.571 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: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -470.827424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.827424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.827424 (E_RNA) where: Base-Base interactions energy: -275.133 where: short stacking energy: -142.399 Base-Backbone interact. energy: -1.879 local terms energy: -193.816108 where: bonds (distance) C4'-P energy: -41.053 bonds (distance) P-C4' energy: -51.881 flat angles C4'-P-C4' energy: -49.107 flat angles P-C4'-P energy: -31.840 tors. eta vs tors. theta energy: -19.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -320.416016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.416016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.416016 (E_RNA) where: Base-Base interactions energy: -154.805 where: short stacking energy: -90.216 Base-Backbone interact. energy: -1.264 local terms energy: -164.347013 where: bonds (distance) C4'-P energy: -48.426 bonds (distance) P-C4' energy: -46.417 flat angles C4'-P-C4' energy: -47.023 flat angles P-C4'-P energy: -31.457 tors. eta vs tors. theta energy: 8.976 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: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1046.163178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.163178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.163178 (E_RNA) where: Base-Base interactions energy: -712.451 where: short stacking energy: -310.381 Base-Backbone interact. energy: -2.917 local terms energy: -330.795647 where: bonds (distance) C4'-P energy: -67.007 bonds (distance) P-C4' energy: -63.919 flat angles C4'-P-C4' energy: -65.175 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -90.126 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: 459 Temperature: 0.950000 Total energy: -1043.917249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.917249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.917249 (E_RNA) where: Base-Base interactions energy: -720.884 where: short stacking energy: -324.432 Base-Backbone interact. energy: -0.964 local terms energy: -322.069998 where: bonds (distance) C4'-P energy: -54.858 bonds (distance) P-C4' energy: -59.032 flat angles C4'-P-C4' energy: -73.063 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -91.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1006.031863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.031863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.031863 (E_RNA) where: Base-Base interactions energy: -704.110 where: short stacking energy: -315.982 Base-Backbone interact. energy: -1.576 local terms energy: -300.346645 where: bonds (distance) C4'-P energy: -48.123 bonds (distance) P-C4' energy: -62.415 flat angles C4'-P-C4' energy: -61.412 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -86.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -972.229437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.229437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.229437 (E_RNA) where: Base-Base interactions energy: -677.283 where: short stacking energy: -298.665 Base-Backbone interact. energy: -1.213 local terms energy: -293.733517 where: bonds (distance) C4'-P energy: -53.403 bonds (distance) P-C4' energy: -56.665 flat angles C4'-P-C4' energy: -55.580 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -86.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -940.100004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.100004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.100004 (E_RNA) where: Base-Base interactions energy: -662.966 where: short stacking energy: -288.142 Base-Backbone interact. energy: -0.598 local terms energy: -276.535999 where: bonds (distance) C4'-P energy: -50.883 bonds (distance) P-C4' energy: -53.758 flat angles C4'-P-C4' energy: -54.471 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -82.085 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: 459 Temperature: 1.150000 Total energy: -845.600569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.600569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.600569 (E_RNA) where: Base-Base interactions energy: -568.084 where: short stacking energy: -249.336 Base-Backbone interact. energy: -0.933 local terms energy: -276.583901 where: bonds (distance) C4'-P energy: -54.395 bonds (distance) P-C4' energy: -51.561 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -34.455 tors. eta vs tors. theta energy: -73.330 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: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -747.768565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.768565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.768565 (E_RNA) where: Base-Base interactions energy: -505.900 where: short stacking energy: -231.166 Base-Backbone interact. energy: -1.051 local terms energy: -240.818053 where: bonds (distance) C4'-P energy: -44.547 bonds (distance) P-C4' energy: -53.377 flat angles C4'-P-C4' energy: -57.545 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -47.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -656.935169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.935169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.935169 (E_RNA) where: Base-Base interactions energy: -442.610 where: short stacking energy: -196.397 Base-Backbone interact. energy: 1.572 local terms energy: -215.897036 where: bonds (distance) C4'-P energy: -49.423 bonds (distance) P-C4' energy: -41.674 flat angles C4'-P-C4' energy: -56.964 flat angles P-C4'-P energy: -23.118 tors. eta vs tors. theta energy: -44.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -438.394207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.394207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.394207 (E_RNA) where: Base-Base interactions energy: -264.137 where: short stacking energy: -136.532 Base-Backbone interact. energy: -0.884 local terms energy: -173.373869 where: bonds (distance) C4'-P energy: -40.785 bonds (distance) P-C4' energy: -44.173 flat angles C4'-P-C4' energy: -50.045 flat angles P-C4'-P energy: -18.678 tors. eta vs tors. theta energy: -19.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -280.483040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.483040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.483040 (E_RNA) where: Base-Base interactions energy: -136.206 where: short stacking energy: -81.640 Base-Backbone interact. energy: -0.311 local terms energy: -143.966561 where: bonds (distance) C4'-P energy: -39.133 bonds (distance) P-C4' energy: -50.912 flat angles C4'-P-C4' energy: -50.125 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: 5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1041.107023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.107023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.107023 (E_RNA) where: Base-Base interactions energy: -723.355 where: short stacking energy: -332.612 Base-Backbone interact. energy: -0.471 local terms energy: -317.280949 where: bonds (distance) C4'-P energy: -49.166 bonds (distance) P-C4' energy: -63.511 flat angles C4'-P-C4' energy: -67.308 flat angles P-C4'-P energy: -42.467 tors. eta vs tors. theta energy: -94.829 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: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1002.751499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.751499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.751499 (E_RNA) where: Base-Base interactions energy: -698.820 where: short stacking energy: -307.923 Base-Backbone interact. energy: 0.776 local terms energy: -304.707273 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -55.252 flat angles C4'-P-C4' energy: -59.186 flat angles P-C4'-P energy: -42.811 tors. eta vs tors. theta energy: -90.418 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: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1005.256715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.256715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.256715 (E_RNA) where: Base-Base interactions energy: -717.649 where: short stacking energy: -312.551 Base-Backbone interact. energy: -2.006 local terms energy: -285.602010 where: bonds (distance) C4'-P energy: -60.248 bonds (distance) P-C4' energy: -47.912 flat angles C4'-P-C4' energy: -56.532 flat angles P-C4'-P energy: -32.553 tors. eta vs tors. theta energy: -88.357 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: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -970.121971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.121971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.121971 (E_RNA) where: Base-Base interactions energy: -675.354 where: short stacking energy: -291.050 Base-Backbone interact. energy: -0.788 local terms energy: -293.979713 where: bonds (distance) C4'-P energy: -58.009 bonds (distance) P-C4' energy: -48.181 flat angles C4'-P-C4' energy: -55.685 flat angles P-C4'-P energy: -37.001 tors. eta vs tors. theta energy: -95.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -909.566497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.566497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.566497 (E_RNA) where: Base-Base interactions energy: -615.533 where: short stacking energy: -278.595 Base-Backbone interact. energy: -2.849 local terms energy: -291.184537 where: bonds (distance) C4'-P energy: -54.361 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -82.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -855.482170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.482170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.482170 (E_RNA) where: Base-Base interactions energy: -582.141 where: short stacking energy: -258.115 Base-Backbone interact. energy: -1.226 local terms energy: -272.114821 where: bonds (distance) C4'-P energy: -50.142 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -52.790 flat angles P-C4'-P energy: -37.636 tors. eta vs tors. theta energy: -71.101 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: 7, replica: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -740.296729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.296729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.296729 (E_RNA) where: Base-Base interactions energy: -502.687 where: short stacking energy: -233.678 Base-Backbone interact. energy: -1.033 local terms energy: -236.576914 where: bonds (distance) C4'-P energy: -55.865 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -48.755 flat angles P-C4'-P energy: -15.323 tors. eta vs tors. theta energy: -58.614 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: 460 Temperature: 1.250000 Total energy: -578.802830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.802830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.802830 (E_RNA) where: Base-Base interactions energy: -357.462 where: short stacking energy: -166.191 Base-Backbone interact. energy: -0.957 local terms energy: -220.383206 where: bonds (distance) C4'-P energy: -50.676 bonds (distance) P-C4' energy: -59.769 flat angles C4'-P-C4' energy: -53.972 flat angles P-C4'-P energy: -28.426 tors. eta vs tors. theta energy: -27.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -432.091848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.091848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.091848 (E_RNA) where: Base-Base interactions energy: -234.172 where: short stacking energy: -131.674 Base-Backbone interact. energy: -0.455 local terms energy: -197.464729 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -55.114 flat angles C4'-P-C4' energy: -41.469 flat angles P-C4'-P energy: -33.239 tors. eta vs tors. theta energy: -14.064 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: 460 Temperature: 1.350000 Total energy: -268.030194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.030194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.030194 (E_RNA) where: Base-Base interactions energy: -119.040 where: short stacking energy: -88.987 Base-Backbone interact. energy: 2.351 local terms energy: -151.340707 where: bonds (distance) C4'-P energy: -40.641 bonds (distance) P-C4' energy: -53.966 flat angles C4'-P-C4' energy: -31.463 flat angles P-C4'-P energy: -27.340 tors. eta vs tors. theta energy: 2.070 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: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1026.698270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.698270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.698270 (E_RNA) where: Base-Base interactions energy: -714.814 where: short stacking energy: -318.449 Base-Backbone interact. energy: -1.908 local terms energy: -309.976394 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -59.642 flat angles C4'-P-C4' energy: -72.915 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -83.738 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: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1031.246832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.246832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.246832 (E_RNA) where: Base-Base interactions energy: -717.715 where: short stacking energy: -313.341 Base-Backbone interact. energy: -0.588 local terms energy: -312.943923 where: bonds (distance) C4'-P energy: -48.920 bonds (distance) P-C4' energy: -60.465 flat angles C4'-P-C4' energy: -63.568 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -98.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1014.472299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.472299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.472299 (E_RNA) where: Base-Base interactions energy: -705.233 where: short stacking energy: -306.220 Base-Backbone interact. energy: -0.364 local terms energy: -308.875044 where: bonds (distance) C4'-P energy: -47.180 bonds (distance) P-C4' energy: -64.752 flat angles C4'-P-C4' energy: -67.289 flat angles P-C4'-P energy: -42.774 tors. eta vs tors. theta energy: -86.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -969.096182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.096182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.096182 (E_RNA) where: Base-Base interactions energy: -662.630 where: short stacking energy: -300.788 Base-Backbone interact. energy: -0.258 local terms energy: -306.208660 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -51.631 flat angles C4'-P-C4' energy: -61.052 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -85.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -947.227372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.227372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.227372 (E_RNA) where: Base-Base interactions energy: -637.967 where: short stacking energy: -282.662 Base-Backbone interact. energy: -0.645 local terms energy: -308.614770 where: bonds (distance) C4'-P energy: -56.283 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -84.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -846.836747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.836747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.836747 (E_RNA) where: Base-Base interactions energy: -556.310 where: short stacking energy: -248.668 Base-Backbone interact. energy: -0.204 local terms energy: -290.322858 where: bonds (distance) C4'-P energy: -54.589 bonds (distance) P-C4' energy: -63.550 flat angles C4'-P-C4' energy: -59.485 flat angles P-C4'-P energy: -45.910 tors. eta vs tors. theta energy: -66.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -767.263138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.263138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.263138 (E_RNA) where: Base-Base interactions energy: -508.750 where: short stacking energy: -221.168 Base-Backbone interact. energy: 0.995 local terms energy: -259.507880 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -43.257 flat angles C4'-P-C4' energy: -55.670 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -52.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -471.391707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.391707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.391707 (E_RNA) where: Base-Base interactions energy: -269.980 where: short stacking energy: -152.382 Base-Backbone interact. energy: -0.223 local terms energy: -201.189163 where: bonds (distance) C4'-P energy: -59.207 bonds (distance) P-C4' energy: -49.152 flat angles C4'-P-C4' energy: -48.126 flat angles P-C4'-P energy: -27.759 tors. eta vs tors. theta energy: -16.946 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: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -491.563679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.563679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.563679 (E_RNA) where: Base-Base interactions energy: -316.938 where: short stacking energy: -139.092 Base-Backbone interact. energy: -1.119 local terms energy: -173.506378 where: bonds (distance) C4'-P energy: -43.545 bonds (distance) P-C4' energy: -45.996 flat angles C4'-P-C4' energy: -33.551 flat angles P-C4'-P energy: -31.431 tors. eta vs tors. theta energy: -18.984 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: 461 Temperature: 1.350000 Total energy: -263.116217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.116217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.116217 (E_RNA) where: Base-Base interactions energy: -84.865 where: short stacking energy: -79.775 Base-Backbone interact. energy: 0.156 local terms energy: -178.407407 where: bonds (distance) C4'-P energy: -49.398 bonds (distance) P-C4' energy: -48.321 flat angles C4'-P-C4' energy: -41.886 flat angles P-C4'-P energy: -29.545 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: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1033.531244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.531244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.531244 (E_RNA) where: Base-Base interactions energy: -710.826 where: short stacking energy: -318.191 Base-Backbone interact. energy: -1.037 local terms energy: -321.667536 where: bonds (distance) C4'-P energy: -58.948 bonds (distance) P-C4' energy: -54.450 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: -93.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1010.534063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.534063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.534063 (E_RNA) where: Base-Base interactions energy: -705.662 where: short stacking energy: -305.879 Base-Backbone interact. energy: -0.296 local terms energy: -304.575958 where: bonds (distance) C4'-P energy: -49.156 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -67.720 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -89.600 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: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1011.731655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.731655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.731655 (E_RNA) where: Base-Base interactions energy: -704.306 where: short stacking energy: -305.064 Base-Backbone interact. energy: -0.763 local terms energy: -306.662302 where: bonds (distance) C4'-P energy: -61.462 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -63.066 flat angles P-C4'-P energy: -37.969 tors. eta vs tors. theta energy: -87.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -982.013988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.013988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.013988 (E_RNA) where: Base-Base interactions energy: -686.979 where: short stacking energy: -302.562 Base-Backbone interact. energy: -0.395 local terms energy: -294.640226 where: bonds (distance) C4'-P energy: -50.309 bonds (distance) P-C4' energy: -56.839 flat angles C4'-P-C4' energy: -60.334 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -83.669 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: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -928.944009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.944009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.944009 (E_RNA) where: Base-Base interactions energy: -639.069 where: short stacking energy: -270.850 Base-Backbone interact. energy: -1.685 local terms energy: -288.189849 where: bonds (distance) C4'-P energy: -50.100 bonds (distance) P-C4' energy: -53.880 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -39.461 tors. eta vs tors. theta energy: -81.965 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: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -848.051794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.051794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.051794 (E_RNA) where: Base-Base interactions energy: -575.299 where: short stacking energy: -264.140 Base-Backbone interact. energy: -0.049 local terms energy: -272.703247 where: bonds (distance) C4'-P energy: -51.600 bonds (distance) P-C4' energy: -54.406 flat angles C4'-P-C4' energy: -58.682 flat angles P-C4'-P energy: -30.794 tors. eta vs tors. theta energy: -77.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -734.595690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.595690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.595690 (E_RNA) where: Base-Base interactions energy: -514.731 where: short stacking energy: -227.755 Base-Backbone interact. energy: -1.121 local terms energy: -218.744243 where: bonds (distance) C4'-P energy: -39.629 bonds (distance) P-C4' energy: -38.641 flat angles C4'-P-C4' energy: -54.639 flat angles P-C4'-P energy: -34.902 tors. eta vs tors. theta energy: -50.933 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: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -474.037097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.037097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.037097 (E_RNA) where: Base-Base interactions energy: -273.897 where: short stacking energy: -159.911 Base-Backbone interact. energy: -0.530 local terms energy: -199.609911 where: bonds (distance) C4'-P energy: -36.137 bonds (distance) P-C4' energy: -52.171 flat angles C4'-P-C4' energy: -55.037 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -22.435 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: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -500.030423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.030423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.030423 (E_RNA) where: Base-Base interactions energy: -294.446 where: short stacking energy: -148.813 Base-Backbone interact. energy: -1.025 local terms energy: -204.558758 where: bonds (distance) C4'-P energy: -51.073 bonds (distance) P-C4' energy: -49.543 flat angles C4'-P-C4' energy: -51.397 flat angles P-C4'-P energy: -27.041 tors. eta vs tors. theta energy: -25.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -288.678503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.678503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.678503 (E_RNA) where: Base-Base interactions energy: -121.817 where: short stacking energy: -104.238 Base-Backbone interact. energy: -0.417 local terms energy: -166.444063 where: bonds (distance) C4'-P energy: -39.848 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -35.901 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1049.672370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.672370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.672370 (E_RNA) where: Base-Base interactions energy: -733.728 where: short stacking energy: -332.566 Base-Backbone interact. energy: -1.180 local terms energy: -314.764606 where: bonds (distance) C4'-P energy: -47.107 bonds (distance) P-C4' energy: -61.847 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -42.518 tors. eta vs tors. theta energy: -100.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1036.101472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.101472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.101472 (E_RNA) where: Base-Base interactions energy: -717.851 where: short stacking energy: -303.979 Base-Backbone interact. energy: -0.667 local terms energy: -317.582740 where: bonds (distance) C4'-P energy: -63.633 bonds (distance) P-C4' energy: -63.889 flat angles C4'-P-C4' energy: -66.558 flat angles P-C4'-P energy: -39.944 tors. eta vs tors. theta energy: -83.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -995.320672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.320672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.320672 (E_RNA) where: Base-Base interactions energy: -700.465 where: short stacking energy: -288.181 Base-Backbone interact. energy: -0.811 local terms energy: -294.044629 where: bonds (distance) C4'-P energy: -42.121 bonds (distance) P-C4' energy: -62.211 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -83.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -990.111596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.111596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.111596 (E_RNA) where: Base-Base interactions energy: -698.584 where: short stacking energy: -303.732 Base-Backbone interact. energy: -2.509 local terms energy: -289.017703 where: bonds (distance) C4'-P energy: -54.573 bonds (distance) P-C4' energy: -42.998 flat angles C4'-P-C4' energy: -62.314 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -89.669 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: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -926.532036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.532036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.532036 (E_RNA) where: Base-Base interactions energy: -629.893 where: short stacking energy: -277.218 Base-Backbone interact. energy: -0.357 local terms energy: -296.282732 where: bonds (distance) C4'-P energy: -47.000 bonds (distance) P-C4' energy: -54.148 flat angles C4'-P-C4' energy: -61.790 flat angles P-C4'-P energy: -42.505 tors. eta vs tors. theta energy: -90.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -888.278948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.278948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.278948 (E_RNA) where: Base-Base interactions energy: -605.614 where: short stacking energy: -273.995 Base-Backbone interact. energy: 0.333 local terms energy: -282.998489 where: bonds (distance) C4'-P energy: -42.198 bonds (distance) P-C4' energy: -58.453 flat angles C4'-P-C4' energy: -63.101 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -75.546 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: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -694.686820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.686820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.686820 (E_RNA) where: Base-Base interactions energy: -466.220 where: short stacking energy: -197.433 Base-Backbone interact. energy: -2.752 local terms energy: -225.714046 where: bonds (distance) C4'-P energy: -49.630 bonds (distance) P-C4' energy: -53.925 flat angles C4'-P-C4' energy: -54.771 flat angles P-C4'-P energy: -25.328 tors. eta vs tors. theta energy: -42.061 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: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -530.405269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.405269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.405269 (E_RNA) where: Base-Base interactions energy: -308.063 where: short stacking energy: -165.253 Base-Backbone interact. energy: 1.156 local terms energy: -223.498112 where: bonds (distance) C4'-P energy: -54.294 bonds (distance) P-C4' energy: -51.575 flat angles C4'-P-C4' energy: -57.492 flat angles P-C4'-P energy: -29.256 tors. eta vs tors. theta energy: -30.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -483.660675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.660675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.660675 (E_RNA) where: Base-Base interactions energy: -282.595 where: short stacking energy: -141.289 Base-Backbone interact. energy: 3.343 local terms energy: -204.408579 where: bonds (distance) C4'-P energy: -54.586 bonds (distance) P-C4' energy: -44.772 flat angles C4'-P-C4' energy: -34.660 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: -33.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -271.352209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.352209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.352209 (E_RNA) where: Base-Base interactions energy: -113.609 where: short stacking energy: -93.260 Base-Backbone interact. energy: 1.834 local terms energy: -159.576681 where: bonds (distance) C4'-P energy: -44.139 bonds (distance) P-C4' energy: -49.957 flat angles C4'-P-C4' energy: -38.627 flat angles P-C4'-P energy: -22.304 tors. eta vs tors. theta energy: -4.551 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: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1062.149930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.149930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.149930 (E_RNA) where: Base-Base interactions energy: -742.836 where: short stacking energy: -320.365 Base-Backbone interact. energy: -0.661 local terms energy: -318.653001 where: bonds (distance) C4'-P energy: -50.165 bonds (distance) P-C4' energy: -67.409 flat angles C4'-P-C4' energy: -65.670 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -93.136 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: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1015.527257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.527257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.527257 (E_RNA) where: Base-Base interactions energy: -718.536 where: short stacking energy: -294.383 Base-Backbone interact. energy: -0.851 local terms energy: -296.140243 where: bonds (distance) C4'-P energy: -54.813 bonds (distance) P-C4' energy: -52.138 flat angles C4'-P-C4' energy: -64.958 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -82.637 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: 464 Temperature: 1.000000 Total energy: -999.270008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.270008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.270008 (E_RNA) where: Base-Base interactions energy: -692.446 where: short stacking energy: -292.814 Base-Backbone interact. energy: -1.202 local terms energy: -305.622381 where: bonds (distance) C4'-P energy: -59.208 bonds (distance) P-C4' energy: -55.348 flat angles C4'-P-C4' energy: -59.342 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -84.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -961.753124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.753124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.753124 (E_RNA) where: Base-Base interactions energy: -679.959 where: short stacking energy: -290.572 Base-Backbone interact. energy: 0.433 local terms energy: -282.226436 where: bonds (distance) C4'-P energy: -43.291 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -62.415 flat angles P-C4'-P energy: -30.968 tors. eta vs tors. theta energy: -81.029 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: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -937.982970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.982970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.982970 (E_RNA) where: Base-Base interactions energy: -623.657 where: short stacking energy: -284.438 Base-Backbone interact. energy: -0.466 local terms energy: -313.860247 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -55.982 flat angles C4'-P-C4' energy: -67.801 flat angles P-C4'-P energy: -42.202 tors. eta vs tors. theta energy: -86.790 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: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -874.257827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.257827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.257827 (E_RNA) where: Base-Base interactions energy: -591.453 where: short stacking energy: -259.631 Base-Backbone interact. energy: -0.419 local terms energy: -282.385500 where: bonds (distance) C4'-P energy: -48.013 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -54.453 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -77.446 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: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -780.485982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.485982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.485982 (E_RNA) where: Base-Base interactions energy: -504.296 where: short stacking energy: -236.409 Base-Backbone interact. energy: -0.230 local terms energy: -275.959574 where: bonds (distance) C4'-P energy: -54.916 bonds (distance) P-C4' energy: -61.909 flat angles C4'-P-C4' energy: -62.302 flat angles P-C4'-P energy: -36.136 tors. eta vs tors. theta energy: -60.697 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: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -551.408866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.408866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.408866 (E_RNA) where: Base-Base interactions energy: -332.029 where: short stacking energy: -164.541 Base-Backbone interact. energy: -0.650 local terms energy: -218.730217 where: bonds (distance) C4'-P energy: -50.072 bonds (distance) P-C4' energy: -52.671 flat angles C4'-P-C4' energy: -46.132 flat angles P-C4'-P energy: -32.160 tors. eta vs tors. theta energy: -37.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -402.889929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.889929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.889929 (E_RNA) where: Base-Base interactions energy: -231.349 where: short stacking energy: -141.123 Base-Backbone interact. energy: 5.943 local terms energy: -177.484498 where: bonds (distance) C4'-P energy: -41.556 bonds (distance) P-C4' energy: -47.682 flat angles C4'-P-C4' energy: -39.688 flat angles P-C4'-P energy: -27.092 tors. eta vs tors. theta energy: -21.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -276.985932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.985932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.985932 (E_RNA) where: Base-Base interactions energy: -110.883 where: short stacking energy: -82.965 Base-Backbone interact. energy: 0.200 local terms energy: -166.302942 where: bonds (distance) C4'-P energy: -45.868 bonds (distance) P-C4' energy: -60.975 flat angles C4'-P-C4' energy: -39.984 flat angles P-C4'-P energy: -21.931 tors. eta vs tors. theta energy: 2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1032.590568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.590568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.590568 (E_RNA) where: Base-Base interactions energy: -707.360 where: short stacking energy: -310.492 Base-Backbone interact. energy: -0.763 local terms energy: -324.467726 where: bonds (distance) C4'-P energy: -56.681 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -65.304 flat angles P-C4'-P energy: -47.253 tors. eta vs tors. theta energy: -92.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1018.389083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.389083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.389083 (E_RNA) where: Base-Base interactions energy: -722.174 where: short stacking energy: -308.145 Base-Backbone interact. energy: 1.192 local terms energy: -297.406782 where: bonds (distance) C4'-P energy: -54.901 bonds (distance) P-C4' energy: -47.690 flat angles C4'-P-C4' energy: -66.713 flat angles P-C4'-P energy: -41.767 tors. eta vs tors. theta energy: -86.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -999.814046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.814046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.814046 (E_RNA) where: Base-Base interactions energy: -683.426 where: short stacking energy: -281.082 Base-Backbone interact. energy: -1.955 local terms energy: -314.432138 where: bonds (distance) C4'-P energy: -62.006 bonds (distance) P-C4' energy: -61.418 flat angles C4'-P-C4' energy: -66.108 flat angles P-C4'-P energy: -38.439 tors. eta vs tors. theta energy: -86.461 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: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -947.346321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.346321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.346321 (E_RNA) where: Base-Base interactions energy: -660.090 where: short stacking energy: -284.510 Base-Backbone interact. energy: -0.704 local terms energy: -286.552437 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -41.620 flat angles C4'-P-C4' energy: -62.166 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: -80.161 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: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -936.716195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.716195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.716195 (E_RNA) where: Base-Base interactions energy: -632.182 where: short stacking energy: -267.633 Base-Backbone interact. energy: 1.191 local terms energy: -305.725076 where: bonds (distance) C4'-P energy: -53.795 bonds (distance) P-C4' energy: -58.180 flat angles C4'-P-C4' energy: -57.691 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -88.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -839.995785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.995785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.995785 (E_RNA) where: Base-Base interactions energy: -571.598 where: short stacking energy: -250.489 Base-Backbone interact. energy: -1.041 local terms energy: -267.356604 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -49.312 flat angles C4'-P-C4' energy: -56.100 flat angles P-C4'-P energy: -36.966 tors. eta vs tors. theta energy: -66.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -753.435080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.435080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.435080 (E_RNA) where: Base-Base interactions energy: -517.366 where: short stacking energy: -233.513 Base-Backbone interact. energy: -1.932 local terms energy: -234.137472 where: bonds (distance) C4'-P energy: -42.724 bonds (distance) P-C4' energy: -51.813 flat angles C4'-P-C4' energy: -58.510 flat angles P-C4'-P energy: -21.711 tors. eta vs tors. theta energy: -59.379 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: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -558.400830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.400830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.400830 (E_RNA) where: Base-Base interactions energy: -330.747 where: short stacking energy: -169.507 Base-Backbone interact. energy: -2.269 local terms energy: -225.384680 where: bonds (distance) C4'-P energy: -42.623 bonds (distance) P-C4' energy: -57.282 flat angles C4'-P-C4' energy: -54.008 flat angles P-C4'-P energy: -35.296 tors. eta vs tors. theta energy: -36.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -408.037843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.037843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.037843 (E_RNA) where: Base-Base interactions energy: -223.484 where: short stacking energy: -138.290 Base-Backbone interact. energy: -1.431 local terms energy: -183.122134 where: bonds (distance) C4'-P energy: -43.707 bonds (distance) P-C4' energy: -55.023 flat angles C4'-P-C4' energy: -33.147 flat angles P-C4'-P energy: -17.516 tors. eta vs tors. theta energy: -33.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -283.356274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.356274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.356274 (E_RNA) where: Base-Base interactions energy: -128.408 where: short stacking energy: -92.797 Base-Backbone interact. energy: 0.919 local terms energy: -155.866793 where: bonds (distance) C4'-P energy: -42.469 bonds (distance) P-C4' energy: -44.306 flat angles C4'-P-C4' energy: -47.145 flat angles P-C4'-P energy: -13.579 tors. eta vs tors. theta energy: -8.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1058.924473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.924473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.924473 (E_RNA) where: Base-Base interactions energy: -742.195 where: short stacking energy: -313.993 Base-Backbone interact. energy: -0.533 local terms energy: -316.196919 where: bonds (distance) C4'-P energy: -61.267 bonds (distance) P-C4' energy: -57.629 flat angles C4'-P-C4' energy: -65.696 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -86.826 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: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1023.108894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.108894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.108894 (E_RNA) where: Base-Base interactions energy: -710.502 where: short stacking energy: -308.143 Base-Backbone interact. energy: -0.457 local terms energy: -312.149882 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -58.935 flat angles C4'-P-C4' energy: -61.995 flat angles P-C4'-P energy: -41.490 tors. eta vs tors. theta energy: -96.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -989.087228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.087228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.087228 (E_RNA) where: Base-Base interactions energy: -681.244 where: short stacking energy: -283.979 Base-Backbone interact. energy: -2.339 local terms energy: -305.504483 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -60.264 flat angles P-C4'-P energy: -41.769 tors. eta vs tors. theta energy: -81.168 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: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -946.029654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.029654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.029654 (E_RNA) where: Base-Base interactions energy: -662.693 where: short stacking energy: -277.856 Base-Backbone interact. energy: -0.710 local terms energy: -282.625885 where: bonds (distance) C4'-P energy: -51.614 bonds (distance) P-C4' energy: -45.023 flat angles C4'-P-C4' energy: -65.727 flat angles P-C4'-P energy: -38.476 tors. eta vs tors. theta energy: -81.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -926.867315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.867315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.867315 (E_RNA) where: Base-Base interactions energy: -636.007 where: short stacking energy: -269.076 Base-Backbone interact. energy: 0.422 local terms energy: -291.282286 where: bonds (distance) C4'-P energy: -45.576 bonds (distance) P-C4' energy: -64.925 flat angles C4'-P-C4' energy: -58.895 flat angles P-C4'-P energy: -40.492 tors. eta vs tors. theta energy: -81.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -836.866146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.866146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.866146 (E_RNA) where: Base-Base interactions energy: -573.644 where: short stacking energy: -251.986 Base-Backbone interact. energy: -3.464 local terms energy: -259.758585 where: bonds (distance) C4'-P energy: -38.801 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -59.906 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -65.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -766.684015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.684015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.684015 (E_RNA) where: Base-Base interactions energy: -530.989 where: short stacking energy: -238.194 Base-Backbone interact. energy: 0.567 local terms energy: -236.261690 where: bonds (distance) C4'-P energy: -38.107 bonds (distance) P-C4' energy: -55.715 flat angles C4'-P-C4' energy: -48.367 flat angles P-C4'-P energy: -36.613 tors. eta vs tors. theta energy: -57.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -582.661319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.661319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.661319 (E_RNA) where: Base-Base interactions energy: -349.730 where: short stacking energy: -190.221 Base-Backbone interact. energy: -1.274 local terms energy: -231.657075 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -51.704 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -30.710 tors. eta vs tors. theta energy: -34.985 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: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -423.459434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.459434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.459434 (E_RNA) where: Base-Base interactions energy: -258.769 where: short stacking energy: -152.343 Base-Backbone interact. energy: -3.054 local terms energy: -161.636364 where: bonds (distance) C4'-P energy: -37.046 bonds (distance) P-C4' energy: -38.298 flat angles C4'-P-C4' energy: -33.368 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: -17.444 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: 466 Temperature: 1.350000 Total energy: -279.936842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.936842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.936842 (E_RNA) where: Base-Base interactions energy: -120.126 where: short stacking energy: -62.786 Base-Backbone interact. energy: 1.531 local terms energy: -161.341416 where: bonds (distance) C4'-P energy: -43.038 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -49.460 flat angles P-C4'-P energy: -21.217 tors. eta vs tors. theta energy: 6.043 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: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1056.602657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.602657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.602657 (E_RNA) where: Base-Base interactions energy: -746.263 where: short stacking energy: -309.916 Base-Backbone interact. energy: -0.937 local terms energy: -309.402992 where: bonds (distance) C4'-P energy: -67.828 bonds (distance) P-C4' energy: -57.454 flat angles C4'-P-C4' energy: -55.994 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -88.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1009.159500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.159500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.159500 (E_RNA) where: Base-Base interactions energy: -696.105 where: short stacking energy: -306.979 Base-Backbone interact. energy: -3.017 local terms energy: -310.037358 where: bonds (distance) C4'-P energy: -59.448 bonds (distance) P-C4' energy: -62.431 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -81.525 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: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -977.013843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.013843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.013843 (E_RNA) where: Base-Base interactions energy: -672.442 where: short stacking energy: -305.900 Base-Backbone interact. energy: -0.669 local terms energy: -303.902237 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -52.322 flat angles C4'-P-C4' energy: -60.535 flat angles P-C4'-P energy: -44.982 tors. eta vs tors. theta energy: -91.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -932.765928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.765928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.765928 (E_RNA) where: Base-Base interactions energy: -649.400 where: short stacking energy: -273.934 Base-Backbone interact. energy: -1.704 local terms energy: -281.662281 where: bonds (distance) C4'-P energy: -47.076 bonds (distance) P-C4' energy: -46.034 flat angles C4'-P-C4' energy: -64.819 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -81.926 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: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -947.361620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.361620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.361620 (E_RNA) where: Base-Base interactions energy: -651.824 where: short stacking energy: -283.364 Base-Backbone interact. energy: -2.773 local terms energy: -292.764912 where: bonds (distance) C4'-P energy: -58.071 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -48.762 flat angles P-C4'-P energy: -41.962 tors. eta vs tors. theta energy: -77.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -843.385473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.385473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.385473 (E_RNA) where: Base-Base interactions energy: -581.967 where: short stacking energy: -254.207 Base-Backbone interact. energy: -1.581 local terms energy: -259.837224 where: bonds (distance) C4'-P energy: -50.240 bonds (distance) P-C4' energy: -48.930 flat angles C4'-P-C4' energy: -55.160 flat angles P-C4'-P energy: -37.138 tors. eta vs tors. theta energy: -68.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -711.433934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.433934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.433934 (E_RNA) where: Base-Base interactions energy: -464.708 where: short stacking energy: -214.433 Base-Backbone interact. energy: 0.803 local terms energy: -247.528783 where: bonds (distance) C4'-P energy: -44.310 bonds (distance) P-C4' energy: -53.064 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -49.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -578.526899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.526899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.526899 (E_RNA) where: Base-Base interactions energy: -374.384 where: short stacking energy: -160.505 Base-Backbone interact. energy: 0.028 local terms energy: -204.171511 where: bonds (distance) C4'-P energy: -47.262 bonds (distance) P-C4' energy: -37.943 flat angles C4'-P-C4' energy: -47.056 flat angles P-C4'-P energy: -37.536 tors. eta vs tors. theta energy: -34.376 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: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -417.513710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.513710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.513710 (E_RNA) where: Base-Base interactions energy: -234.723 where: short stacking energy: -128.778 Base-Backbone interact. energy: -0.256 local terms energy: -182.534805 where: bonds (distance) C4'-P energy: -44.080 bonds (distance) P-C4' energy: -53.893 flat angles C4'-P-C4' energy: -48.532 flat angles P-C4'-P energy: -26.088 tors. eta vs tors. theta energy: -9.942 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: 467 Temperature: 1.350000 Total energy: -269.901776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.901776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.901776 (E_RNA) where: Base-Base interactions energy: -102.412 where: short stacking energy: -86.099 Base-Backbone interact. energy: -0.102 local terms energy: -167.387193 where: bonds (distance) C4'-P energy: -43.898 bonds (distance) P-C4' energy: -49.773 flat angles C4'-P-C4' energy: -44.348 flat angles P-C4'-P energy: -30.358 tors. eta vs tors. theta energy: 0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1063.558084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.558084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.558084 (E_RNA) where: Base-Base interactions energy: -746.292 where: short stacking energy: -320.935 Base-Backbone interact. energy: -1.772 local terms energy: -315.494063 where: bonds (distance) C4'-P energy: -54.917 bonds (distance) P-C4' energy: -56.193 flat angles C4'-P-C4' energy: -64.553 flat angles P-C4'-P energy: -45.450 tors. eta vs tors. theta energy: -94.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1021.975799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.975799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.975799 (E_RNA) where: Base-Base interactions energy: -705.918 where: short stacking energy: -305.702 Base-Backbone interact. energy: -1.501 local terms energy: -314.556952 where: bonds (distance) C4'-P energy: -62.845 bonds (distance) P-C4' energy: -51.954 flat angles C4'-P-C4' energy: -70.046 flat angles P-C4'-P energy: -39.826 tors. eta vs tors. theta energy: -89.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -977.226635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.226635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.226635 (E_RNA) where: Base-Base interactions energy: -675.348 where: short stacking energy: -310.526 Base-Backbone interact. energy: -0.419 local terms energy: -301.458893 where: bonds (distance) C4'-P energy: -38.224 bonds (distance) P-C4' energy: -62.964 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -89.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -959.737578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.737578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.737578 (E_RNA) where: Base-Base interactions energy: -650.320 where: short stacking energy: -293.689 Base-Backbone interact. energy: 0.824 local terms energy: -310.241586 where: bonds (distance) C4'-P energy: -59.344 bonds (distance) P-C4' energy: -57.239 flat angles C4'-P-C4' energy: -66.232 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -82.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -955.250206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.250206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.250206 (E_RNA) where: Base-Base interactions energy: -664.435 where: short stacking energy: -287.716 Base-Backbone interact. energy: -0.411 local terms energy: -290.404654 where: bonds (distance) C4'-P energy: -40.955 bonds (distance) P-C4' energy: -53.753 flat angles C4'-P-C4' energy: -58.718 flat angles P-C4'-P energy: -48.687 tors. eta vs tors. theta energy: -88.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -832.856537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.856537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.856537 (E_RNA) where: Base-Base interactions energy: -578.715 where: short stacking energy: -242.822 Base-Backbone interact. energy: -0.009 local terms energy: -254.132514 where: bonds (distance) C4'-P energy: -50.523 bonds (distance) P-C4' energy: -58.379 flat angles C4'-P-C4' energy: -59.272 flat angles P-C4'-P energy: -29.332 tors. eta vs tors. theta energy: -56.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -739.749231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.749231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.749231 (E_RNA) where: Base-Base interactions energy: -483.447 where: short stacking energy: -218.743 Base-Backbone interact. energy: 1.713 local terms energy: -258.015193 where: bonds (distance) C4'-P energy: -52.702 bonds (distance) P-C4' energy: -49.689 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -49.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -562.963103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.963103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.963103 (E_RNA) where: Base-Base interactions energy: -342.704 where: short stacking energy: -174.002 Base-Backbone interact. energy: -0.728 local terms energy: -219.530657 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -45.353 flat angles C4'-P-C4' energy: -52.822 flat angles P-C4'-P energy: -25.893 tors. eta vs tors. theta energy: -38.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -388.516833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.516833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.516833 (E_RNA) where: Base-Base interactions energy: -211.060 where: short stacking energy: -115.839 Base-Backbone interact. energy: -1.005 local terms energy: -176.451096 where: bonds (distance) C4'-P energy: -41.120 bonds (distance) P-C4' energy: -51.709 flat angles C4'-P-C4' energy: -54.132 flat angles P-C4'-P energy: -20.097 tors. eta vs tors. theta energy: -9.393 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: 468 Temperature: 1.350000 Total energy: -263.354888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.354888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.354888 (E_RNA) where: Base-Base interactions energy: -103.725 where: short stacking energy: -49.850 Base-Backbone interact. energy: 2.139 local terms energy: -161.768739 where: bonds (distance) C4'-P energy: -53.065 bonds (distance) P-C4' energy: -58.996 flat angles C4'-P-C4' energy: -38.034 flat angles P-C4'-P energy: -26.146 tors. eta vs tors. theta energy: 14.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1060.150171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.150171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.150171 (E_RNA) where: Base-Base interactions energy: -740.890 where: short stacking energy: -318.496 Base-Backbone interact. energy: -0.172 local terms energy: -319.088188 where: bonds (distance) C4'-P energy: -59.576 bonds (distance) P-C4' energy: -54.871 flat angles C4'-P-C4' energy: -67.311 flat angles P-C4'-P energy: -47.162 tors. eta vs tors. theta energy: -90.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1025.671411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.671411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.671411 (E_RNA) where: Base-Base interactions energy: -715.233 where: short stacking energy: -312.564 Base-Backbone interact. energy: -0.879 local terms energy: -309.560155 where: bonds (distance) C4'-P energy: -57.431 bonds (distance) P-C4' energy: -54.835 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -42.976 tors. eta vs tors. theta energy: -89.963 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: 469 Temperature: 1.000000 Total energy: -1010.848500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.848500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.848500 (E_RNA) where: Base-Base interactions energy: -695.339 where: short stacking energy: -315.255 Base-Backbone interact. energy: -0.083 local terms energy: -315.426048 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -59.791 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -92.517 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: 469 Temperature: 1.050000 Total energy: -959.498408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.498408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.498408 (E_RNA) where: Base-Base interactions energy: -669.470 where: short stacking energy: -288.984 Base-Backbone interact. energy: -0.893 local terms energy: -289.135160 where: bonds (distance) C4'-P energy: -54.410 bonds (distance) P-C4' energy: -50.406 flat angles C4'-P-C4' energy: -62.295 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -77.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -939.228540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.228540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.228540 (E_RNA) where: Base-Base interactions energy: -657.180 where: short stacking energy: -306.288 Base-Backbone interact. energy: -0.097 local terms energy: -281.951401 where: bonds (distance) C4'-P energy: -47.382 bonds (distance) P-C4' energy: -52.938 flat angles C4'-P-C4' energy: -58.847 flat angles P-C4'-P energy: -32.122 tors. eta vs tors. theta energy: -90.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -838.516772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.516772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.516772 (E_RNA) where: Base-Base interactions energy: -590.228 where: short stacking energy: -254.805 Base-Backbone interact. energy: -2.067 local terms energy: -246.222543 where: bonds (distance) C4'-P energy: -43.773 bonds (distance) P-C4' energy: -45.729 flat angles C4'-P-C4' energy: -51.110 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -66.232 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: 8 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -711.255263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.255263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.255263 (E_RNA) where: Base-Base interactions energy: -475.588 where: short stacking energy: -214.431 Base-Backbone interact. energy: -0.743 local terms energy: -234.924274 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -38.363 flat angles C4'-P-C4' energy: -59.941 flat angles P-C4'-P energy: -32.806 tors. eta vs tors. theta energy: -48.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -575.897828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.897828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.897828 (E_RNA) where: Base-Base interactions energy: -358.131 where: short stacking energy: -179.274 Base-Backbone interact. energy: 0.185 local terms energy: -217.951655 where: bonds (distance) C4'-P energy: -44.299 bonds (distance) P-C4' energy: -60.228 flat angles C4'-P-C4' energy: -48.599 flat angles P-C4'-P energy: -18.607 tors. eta vs tors. theta energy: -46.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -397.407358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.407358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.407358 (E_RNA) where: Base-Base interactions energy: -203.483 where: short stacking energy: -122.521 Base-Backbone interact. energy: -1.195 local terms energy: -192.729613 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -43.958 flat angles P-C4'-P energy: -25.678 tors. eta vs tors. theta energy: -13.899 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: 469 Temperature: 1.350000 Total energy: -280.648397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.648397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.648397 (E_RNA) where: Base-Base interactions energy: -122.172 where: short stacking energy: -67.346 Base-Backbone interact. energy: -1.529 local terms energy: -156.947264 where: bonds (distance) C4'-P energy: -43.487 bonds (distance) P-C4' energy: -55.791 flat angles C4'-P-C4' energy: -54.191 flat angles P-C4'-P energy: -15.377 tors. eta vs tors. theta energy: 11.899 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: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1040.404679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.404679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.404679 (E_RNA) where: Base-Base interactions energy: -732.728 where: short stacking energy: -324.184 Base-Backbone interact. energy: 1.326 local terms energy: -309.002574 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -51.411 flat angles C4'-P-C4' energy: -67.875 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -91.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1060.628848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.628848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.628848 (E_RNA) where: Base-Base interactions energy: -736.887 where: short stacking energy: -318.205 Base-Backbone interact. energy: -1.508 local terms energy: -322.233341 where: bonds (distance) C4'-P energy: -51.140 bonds (distance) P-C4' energy: -60.709 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -46.587 tors. eta vs tors. theta energy: -92.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1015.697496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.697496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.697496 (E_RNA) where: Base-Base interactions energy: -692.834 where: short stacking energy: -318.322 Base-Backbone interact. energy: -0.053 local terms energy: -322.810100 where: bonds (distance) C4'-P energy: -62.211 bonds (distance) P-C4' energy: -53.739 flat angles C4'-P-C4' energy: -67.992 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: -89.709 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: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -961.215400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.215400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.215400 (E_RNA) where: Base-Base interactions energy: -686.573 where: short stacking energy: -288.071 Base-Backbone interact. energy: 4.060 local terms energy: -278.703039 where: bonds (distance) C4'-P energy: -50.082 bonds (distance) P-C4' energy: -49.241 flat angles C4'-P-C4' energy: -61.051 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: -81.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -892.747151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.747151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.747151 (E_RNA) where: Base-Base interactions energy: -614.023 where: short stacking energy: -256.067 Base-Backbone interact. energy: 0.746 local terms energy: -279.470373 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -52.739 flat angles C4'-P-C4' energy: -55.172 flat angles P-C4'-P energy: -38.022 tors. eta vs tors. theta energy: -76.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -833.442936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.442936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.442936 (E_RNA) where: Base-Base interactions energy: -575.761 where: short stacking energy: -253.219 Base-Backbone interact. energy: -2.147 local terms energy: -255.534790 where: bonds (distance) C4'-P energy: -47.730 bonds (distance) P-C4' energy: -54.488 flat angles C4'-P-C4' energy: -53.899 flat angles P-C4'-P energy: -38.465 tors. eta vs tors. theta energy: -60.953 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: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -703.339965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.339965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.339965 (E_RNA) where: Base-Base interactions energy: -475.049 where: short stacking energy: -210.648 Base-Backbone interact. energy: -0.266 local terms energy: -228.024516 where: bonds (distance) C4'-P energy: -28.052 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -50.572 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -47.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -595.237535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.237535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.237535 (E_RNA) where: Base-Base interactions energy: -370.471 where: short stacking energy: -175.046 Base-Backbone interact. energy: -1.468 local terms energy: -223.297709 where: bonds (distance) C4'-P energy: -44.197 bonds (distance) P-C4' energy: -57.906 flat angles C4'-P-C4' energy: -49.766 flat angles P-C4'-P energy: -27.286 tors. eta vs tors. theta energy: -44.142 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: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -425.432063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.432063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.432063 (E_RNA) where: Base-Base interactions energy: -231.554 where: short stacking energy: -129.859 Base-Backbone interact. energy: -2.053 local terms energy: -191.824473 where: bonds (distance) C4'-P energy: -44.505 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -49.256 flat angles P-C4'-P energy: -16.456 tors. eta vs tors. theta energy: -25.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -267.760278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.760278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.760278 (E_RNA) where: Base-Base interactions energy: -110.253 where: short stacking energy: -76.760 Base-Backbone interact. energy: 2.269 local terms energy: -159.777048 where: bonds (distance) C4'-P energy: -47.604 bonds (distance) P-C4' energy: -56.721 flat angles C4'-P-C4' energy: -46.701 flat angles P-C4'-P energy: -22.644 tors. eta vs tors. theta energy: 13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1048.012122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.012122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.012122 (E_RNA) where: Base-Base interactions energy: -721.721 where: short stacking energy: -329.652 Base-Backbone interact. energy: -0.243 local terms energy: -326.047603 where: bonds (distance) C4'-P energy: -50.184 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -69.596 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -90.660 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: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1026.046405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.046405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.046405 (E_RNA) where: Base-Base interactions energy: -715.980 where: short stacking energy: -296.066 Base-Backbone interact. energy: -0.612 local terms energy: -309.454920 where: bonds (distance) C4'-P energy: -51.263 bonds (distance) P-C4' energy: -56.105 flat angles C4'-P-C4' energy: -71.926 flat angles P-C4'-P energy: -42.973 tors. eta vs tors. theta energy: -87.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -998.155426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.155426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.155426 (E_RNA) where: Base-Base interactions energy: -702.379 where: short stacking energy: -299.316 Base-Backbone interact. energy: -0.338 local terms energy: -295.438422 where: bonds (distance) C4'-P energy: -53.256 bonds (distance) P-C4' energy: -55.291 flat angles C4'-P-C4' energy: -58.517 flat angles P-C4'-P energy: -41.562 tors. eta vs tors. theta energy: -86.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -971.135926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.135926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.135926 (E_RNA) where: Base-Base interactions energy: -676.727 where: short stacking energy: -280.996 Base-Backbone interact. energy: -1.325 local terms energy: -293.083760 where: bonds (distance) C4'-P energy: -61.722 bonds (distance) P-C4' energy: -58.054 flat angles C4'-P-C4' energy: -49.420 flat angles P-C4'-P energy: -37.230 tors. eta vs tors. theta energy: -86.658 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: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -926.414021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.414021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.414021 (E_RNA) where: Base-Base interactions energy: -620.259 where: short stacking energy: -290.788 Base-Backbone interact. energy: -0.254 local terms energy: -305.901078 where: bonds (distance) C4'-P energy: -63.534 bonds (distance) P-C4' energy: -57.706 flat angles C4'-P-C4' energy: -60.849 flat angles P-C4'-P energy: -38.072 tors. eta vs tors. theta energy: -85.740 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: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -832.129421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.129421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.129421 (E_RNA) where: Base-Base interactions energy: -578.711 where: short stacking energy: -260.599 Base-Backbone interact. energy: -0.249 local terms energy: -253.169346 where: bonds (distance) C4'-P energy: -46.013 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -47.166 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -63.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -699.830864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.830864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.830864 (E_RNA) where: Base-Base interactions energy: -463.154 where: short stacking energy: -195.413 Base-Backbone interact. energy: 1.186 local terms energy: -237.862255 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -55.500 flat angles C4'-P-C4' energy: -55.762 flat angles P-C4'-P energy: -37.508 tors. eta vs tors. theta energy: -35.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -584.865070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.865070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.865070 (E_RNA) where: Base-Base interactions energy: -344.370 where: short stacking energy: -169.202 Base-Backbone interact. energy: -0.586 local terms energy: -239.909504 where: bonds (distance) C4'-P energy: -56.846 bonds (distance) P-C4' energy: -52.431 flat angles C4'-P-C4' energy: -56.494 flat angles P-C4'-P energy: -25.938 tors. eta vs tors. theta energy: -48.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -418.905584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.905584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.905584 (E_RNA) where: Base-Base interactions energy: -229.386 where: short stacking energy: -112.279 Base-Backbone interact. energy: 5.175 local terms energy: -194.694887 where: bonds (distance) C4'-P energy: -48.658 bonds (distance) P-C4' energy: -52.970 flat angles C4'-P-C4' energy: -50.264 flat angles P-C4'-P energy: -34.533 tors. eta vs tors. theta energy: -8.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -249.374986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.374986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.374986 (E_RNA) where: Base-Base interactions energy: -80.997 where: short stacking energy: -68.441 Base-Backbone interact. energy: 0.455 local terms energy: -168.833649 where: bonds (distance) C4'-P energy: -50.821 bonds (distance) P-C4' energy: -44.989 flat angles C4'-P-C4' energy: -50.878 flat angles P-C4'-P energy: -23.259 tors. eta vs tors. theta energy: 1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1038.457427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.457427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.457427 (E_RNA) where: Base-Base interactions energy: -708.677 where: short stacking energy: -311.889 Base-Backbone interact. energy: -2.052 local terms energy: -327.728965 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -64.433 flat angles P-C4'-P energy: -46.213 tors. eta vs tors. theta energy: -88.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1024.089605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.089605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.089605 (E_RNA) where: Base-Base interactions energy: -715.938 where: short stacking energy: -306.405 Base-Backbone interact. energy: 0.511 local terms energy: -308.662855 where: bonds (distance) C4'-P energy: -43.157 bonds (distance) P-C4' energy: -57.015 flat angles C4'-P-C4' energy: -64.606 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -94.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -995.365171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.365171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.365171 (E_RNA) where: Base-Base interactions energy: -696.999 where: short stacking energy: -310.078 Base-Backbone interact. energy: -0.888 local terms energy: -297.477803 where: bonds (distance) C4'-P energy: -51.520 bonds (distance) P-C4' energy: -56.275 flat angles C4'-P-C4' energy: -63.001 flat angles P-C4'-P energy: -41.416 tors. eta vs tors. theta energy: -85.266 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: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -962.299677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.299677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.299677 (E_RNA) where: Base-Base interactions energy: -662.422 where: short stacking energy: -291.234 Base-Backbone interact. energy: -0.782 local terms energy: -299.096389 where: bonds (distance) C4'-P energy: -50.789 bonds (distance) P-C4' energy: -49.404 flat angles C4'-P-C4' energy: -72.477 flat angles P-C4'-P energy: -44.518 tors. eta vs tors. theta energy: -81.909 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: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -907.036157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.036157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.036157 (E_RNA) where: Base-Base interactions energy: -631.591 where: short stacking energy: -270.982 Base-Backbone interact. energy: 1.008 local terms energy: -276.453963 where: bonds (distance) C4'-P energy: -45.585 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -51.657 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -81.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -841.892582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.892582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.892582 (E_RNA) where: Base-Base interactions energy: -582.683 where: short stacking energy: -249.136 Base-Backbone interact. energy: -1.585 local terms energy: -257.624682 where: bonds (distance) C4'-P energy: -46.217 bonds (distance) P-C4' energy: -48.353 flat angles C4'-P-C4' energy: -58.225 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -60.840 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: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -714.891715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.891715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.891715 (E_RNA) where: Base-Base interactions energy: -473.454 where: short stacking energy: -218.834 Base-Backbone interact. energy: -1.899 local terms energy: -239.538486 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -46.529 flat angles C4'-P-C4' energy: -51.286 flat angles P-C4'-P energy: -30.840 tors. eta vs tors. theta energy: -53.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -606.960283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.960283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.960283 (E_RNA) where: Base-Base interactions energy: -365.562 where: short stacking energy: -181.830 Base-Backbone interact. energy: 0.570 local terms energy: -241.967825 where: bonds (distance) C4'-P energy: -37.893 bonds (distance) P-C4' energy: -63.281 flat angles C4'-P-C4' energy: -61.185 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -44.540 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: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -409.494106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.494106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.494106 (E_RNA) where: Base-Base interactions energy: -237.096 where: short stacking energy: -114.519 Base-Backbone interact. energy: 0.061 local terms energy: -172.459334 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -59.996 flat angles C4'-P-C4' energy: -41.114 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -9.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -263.507775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.507775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.507775 (E_RNA) where: Base-Base interactions energy: -113.740 where: short stacking energy: -82.558 Base-Backbone interact. energy: -2.089 local terms energy: -147.679053 where: bonds (distance) C4'-P energy: -28.240 bonds (distance) P-C4' energy: -51.692 flat angles C4'-P-C4' energy: -40.891 flat angles P-C4'-P energy: -24.028 tors. eta vs tors. theta energy: -2.828 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: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1018.335511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.335511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.335511 (E_RNA) where: Base-Base interactions energy: -702.640 where: short stacking energy: -308.555 Base-Backbone interact. energy: -0.488 local terms energy: -315.207972 where: bonds (distance) C4'-P energy: -56.251 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -66.878 flat angles P-C4'-P energy: -46.060 tors. eta vs tors. theta energy: -83.894 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: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1029.161487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.161487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.161487 (E_RNA) where: Base-Base interactions energy: -715.446 where: short stacking energy: -310.965 Base-Backbone interact. energy: -4.298 local terms energy: -309.417749 where: bonds (distance) C4'-P energy: -57.760 bonds (distance) P-C4' energy: -56.108 flat angles C4'-P-C4' energy: -66.868 flat angles P-C4'-P energy: -42.554 tors. eta vs tors. theta energy: -86.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -984.732049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.732049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.732049 (E_RNA) where: Base-Base interactions energy: -696.851 where: short stacking energy: -295.661 Base-Backbone interact. energy: -1.075 local terms energy: -286.805860 where: bonds (distance) C4'-P energy: -53.942 bonds (distance) P-C4' energy: -50.711 flat angles C4'-P-C4' energy: -60.523 flat angles P-C4'-P energy: -41.860 tors. eta vs tors. theta energy: -79.770 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: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -967.745655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.745655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.745655 (E_RNA) where: Base-Base interactions energy: -688.440 where: short stacking energy: -280.226 Base-Backbone interact. energy: -1.324 local terms energy: -277.981499 where: bonds (distance) C4'-P energy: -47.730 bonds (distance) P-C4' energy: -55.587 flat angles C4'-P-C4' energy: -60.071 flat angles P-C4'-P energy: -35.327 tors. eta vs tors. theta energy: -79.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -916.090661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.090661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.090661 (E_RNA) where: Base-Base interactions energy: -628.035 where: short stacking energy: -277.106 Base-Backbone interact. energy: -0.934 local terms energy: -287.121242 where: bonds (distance) C4'-P energy: -50.898 bonds (distance) P-C4' energy: -60.074 flat angles C4'-P-C4' energy: -54.817 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -81.852 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: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -842.391256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.391256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.391256 (E_RNA) where: Base-Base interactions energy: -567.979 where: short stacking energy: -250.081 Base-Backbone interact. energy: -2.318 local terms energy: -272.094361 where: bonds (distance) C4'-P energy: -45.419 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: -64.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -729.539721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.539721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.539721 (E_RNA) where: Base-Base interactions energy: -510.993 where: short stacking energy: -227.967 Base-Backbone interact. energy: 2.987 local terms energy: -221.533905 where: bonds (distance) C4'-P energy: -51.591 bonds (distance) P-C4' energy: -39.565 flat angles C4'-P-C4' energy: -45.761 flat angles P-C4'-P energy: -35.453 tors. eta vs tors. theta energy: -49.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -529.678741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.678741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.678741 (E_RNA) where: Base-Base interactions energy: -311.344 where: short stacking energy: -144.479 Base-Backbone interact. energy: 0.078 local terms energy: -218.413045 where: bonds (distance) C4'-P energy: -58.425 bonds (distance) P-C4' energy: -49.674 flat angles C4'-P-C4' energy: -47.282 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -27.202 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: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -445.540763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.540763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.540763 (E_RNA) where: Base-Base interactions energy: -249.586 where: short stacking energy: -146.748 Base-Backbone interact. energy: -1.294 local terms energy: -194.660069 where: bonds (distance) C4'-P energy: -38.609 bonds (distance) P-C4' energy: -50.473 flat angles C4'-P-C4' energy: -40.421 flat angles P-C4'-P energy: -29.606 tors. eta vs tors. theta energy: -35.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -299.320671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.320671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.320671 (E_RNA) where: Base-Base interactions energy: -127.637 where: short stacking energy: -76.162 Base-Backbone interact. energy: -1.116 local terms energy: -170.567085 where: bonds (distance) C4'-P energy: -46.309 bonds (distance) P-C4' energy: -49.839 flat angles C4'-P-C4' energy: -44.244 flat angles P-C4'-P energy: -39.743 tors. eta vs tors. theta energy: 9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1044.604711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.604711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.604711 (E_RNA) where: Base-Base interactions energy: -726.885 where: short stacking energy: -302.274 Base-Backbone interact. energy: -1.330 local terms energy: -316.389234 where: bonds (distance) C4'-P energy: -59.872 bonds (distance) P-C4' energy: -59.456 flat angles C4'-P-C4' energy: -64.046 flat angles P-C4'-P energy: -48.010 tors. eta vs tors. theta energy: -85.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1005.735479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.735479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.735479 (E_RNA) where: Base-Base interactions energy: -697.776 where: short stacking energy: -309.753 Base-Backbone interact. energy: -0.016 local terms energy: -307.943405 where: bonds (distance) C4'-P energy: -51.043 bonds (distance) P-C4' energy: -60.774 flat angles C4'-P-C4' energy: -69.698 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: -87.585 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: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1006.335596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.335596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.335596 (E_RNA) where: Base-Base interactions energy: -695.409 where: short stacking energy: -311.315 Base-Backbone interact. energy: -0.895 local terms energy: -310.031852 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -63.801 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -86.648 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: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -957.650227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.650227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.650227 (E_RNA) where: Base-Base interactions energy: -691.719 where: short stacking energy: -282.662 Base-Backbone interact. energy: 5.566 local terms energy: -271.497727 where: bonds (distance) C4'-P energy: -48.506 bonds (distance) P-C4' energy: -46.096 flat angles C4'-P-C4' energy: -57.135 flat angles P-C4'-P energy: -41.728 tors. eta vs tors. theta energy: -78.033 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: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -913.887437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.887437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.887437 (E_RNA) where: Base-Base interactions energy: -628.534 where: short stacking energy: -286.211 Base-Backbone interact. energy: -0.463 local terms energy: -284.890231 where: bonds (distance) C4'-P energy: -49.157 bonds (distance) P-C4' energy: -53.884 flat angles C4'-P-C4' energy: -62.854 flat angles P-C4'-P energy: -36.721 tors. eta vs tors. theta energy: -82.274 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: 474 Temperature: 1.150000 Total energy: -825.269741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.269741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.269741 (E_RNA) where: Base-Base interactions energy: -553.660 where: short stacking energy: -241.193 Base-Backbone interact. energy: -1.113 local terms energy: -270.496329 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -54.635 flat angles C4'-P-C4' energy: -56.282 flat angles P-C4'-P energy: -38.888 tors. eta vs tors. theta energy: -63.161 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: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -735.067838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.067838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.067838 (E_RNA) where: Base-Base interactions energy: -491.835 where: short stacking energy: -231.611 Base-Backbone interact. energy: -1.550 local terms energy: -241.683137 where: bonds (distance) C4'-P energy: -46.888 bonds (distance) P-C4' energy: -46.807 flat angles C4'-P-C4' energy: -48.932 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -59.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -612.179275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.179275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.179275 (E_RNA) where: Base-Base interactions energy: -370.106 where: short stacking energy: -171.682 Base-Backbone interact. energy: -1.057 local terms energy: -241.015862 where: bonds (distance) C4'-P energy: -60.100 bonds (distance) P-C4' energy: -49.080 flat angles C4'-P-C4' energy: -60.184 flat angles P-C4'-P energy: -31.340 tors. eta vs tors. theta energy: -40.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -411.988339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.988339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.988339 (E_RNA) where: Base-Base interactions energy: -245.529 where: short stacking energy: -126.962 Base-Backbone interact. energy: 0.794 local terms energy: -167.253878 where: bonds (distance) C4'-P energy: -36.943 bonds (distance) P-C4' energy: -57.371 flat angles C4'-P-C4' energy: -42.675 flat angles P-C4'-P energy: -14.784 tors. eta vs tors. theta energy: -15.481 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: 474 Temperature: 1.350000 Total energy: -265.650291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.650291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.650291 (E_RNA) where: Base-Base interactions energy: -97.707 where: short stacking energy: -89.092 Base-Backbone interact. energy: -0.516 local terms energy: -167.426991 where: bonds (distance) C4'-P energy: -46.966 bonds (distance) P-C4' energy: -55.248 flat angles C4'-P-C4' energy: -41.842 flat angles P-C4'-P energy: -23.841 tors. eta vs tors. theta energy: 0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1051.419951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.419951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.419951 (E_RNA) where: Base-Base interactions energy: -733.689 where: short stacking energy: -286.829 Base-Backbone interact. energy: -1.487 local terms energy: -316.244325 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -60.432 flat angles C4'-P-C4' energy: -62.294 flat angles P-C4'-P energy: -47.337 tors. eta vs tors. theta energy: -82.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1017.590118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.590118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.590118 (E_RNA) where: Base-Base interactions energy: -696.509 where: short stacking energy: -302.487 Base-Backbone interact. energy: 0.343 local terms energy: -321.424299 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -57.267 flat angles P-C4'-P energy: -47.443 tors. eta vs tors. theta energy: -92.868 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: 475 Temperature: 1.000000 Total energy: -976.556731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.556731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.556731 (E_RNA) where: Base-Base interactions energy: -669.366 where: short stacking energy: -296.034 Base-Backbone interact. energy: 0.792 local terms energy: -307.983578 where: bonds (distance) C4'-P energy: -52.326 bonds (distance) P-C4' energy: -63.228 flat angles C4'-P-C4' energy: -63.699 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: -87.171 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: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -961.306328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.306328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.306328 (E_RNA) where: Base-Base interactions energy: -669.422 where: short stacking energy: -303.312 Base-Backbone interact. energy: -0.086 local terms energy: -291.797889 where: bonds (distance) C4'-P energy: -53.627 bonds (distance) P-C4' energy: -46.409 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -42.419 tors. eta vs tors. theta energy: -90.148 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: 475 Temperature: 1.100000 Total energy: -922.246418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.246418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.246418 (E_RNA) where: Base-Base interactions energy: -641.854 where: short stacking energy: -283.353 Base-Backbone interact. energy: -1.498 local terms energy: -278.894446 where: bonds (distance) C4'-P energy: -54.926 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -56.231 flat angles P-C4'-P energy: -35.227 tors. eta vs tors. theta energy: -74.591 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: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -824.245775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.245775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.245775 (E_RNA) where: Base-Base interactions energy: -560.920 where: short stacking energy: -250.991 Base-Backbone interact. energy: -1.361 local terms energy: -261.965653 where: bonds (distance) C4'-P energy: -43.088 bonds (distance) P-C4' energy: -54.337 flat angles C4'-P-C4' energy: -63.444 flat angles P-C4'-P energy: -33.011 tors. eta vs tors. theta energy: -68.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -726.987769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.987769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.987769 (E_RNA) where: Base-Base interactions energy: -470.896 where: short stacking energy: -219.136 Base-Backbone interact. energy: -0.586 local terms energy: -255.505341 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -53.942 flat angles C4'-P-C4' energy: -54.577 flat angles P-C4'-P energy: -37.726 tors. eta vs tors. theta energy: -51.760 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: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -639.338612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.338612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.338612 (E_RNA) where: Base-Base interactions energy: -426.822 where: short stacking energy: -175.854 Base-Backbone interact. energy: -0.794 local terms energy: -211.722989 where: bonds (distance) C4'-P energy: -33.231 bonds (distance) P-C4' energy: -53.030 flat angles C4'-P-C4' energy: -50.347 flat angles P-C4'-P energy: -30.597 tors. eta vs tors. theta energy: -44.518 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: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -410.844913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.844913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.844913 (E_RNA) where: Base-Base interactions energy: -222.431 where: short stacking energy: -118.427 Base-Backbone interact. energy: 1.575 local terms energy: -189.989375 where: bonds (distance) C4'-P energy: -47.701 bonds (distance) P-C4' energy: -57.725 flat angles C4'-P-C4' energy: -46.254 flat angles P-C4'-P energy: -24.497 tors. eta vs tors. theta energy: -13.812 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: 475 Temperature: 1.350000 Total energy: -259.176118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.176118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.176118 (E_RNA) where: Base-Base interactions energy: -88.713 where: short stacking energy: -63.413 Base-Backbone interact. energy: -0.643 local terms energy: -169.820928 where: bonds (distance) C4'-P energy: -54.336 bonds (distance) P-C4' energy: -45.653 flat angles C4'-P-C4' energy: -47.895 flat angles P-C4'-P energy: -28.189 tors. eta vs tors. theta energy: 6.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1048.242250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.242250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.242250 (E_RNA) where: Base-Base interactions energy: -737.030 where: short stacking energy: -296.955 Base-Backbone interact. energy: -1.581 local terms energy: -309.631812 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -60.908 flat angles C4'-P-C4' energy: -63.470 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -82.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1017.755275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.755275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.755275 (E_RNA) where: Base-Base interactions energy: -712.096 where: short stacking energy: -312.673 Base-Backbone interact. energy: -0.905 local terms energy: -304.753794 where: bonds (distance) C4'-P energy: -48.354 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -58.383 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -90.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -972.546078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.546078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.546078 (E_RNA) where: Base-Base interactions energy: -686.852 where: short stacking energy: -290.780 Base-Backbone interact. energy: 1.357 local terms energy: -287.050477 where: bonds (distance) C4'-P energy: -57.145 bonds (distance) P-C4' energy: -46.247 flat angles C4'-P-C4' energy: -58.087 flat angles P-C4'-P energy: -44.743 tors. eta vs tors. theta energy: -80.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -953.363909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.363909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.363909 (E_RNA) where: Base-Base interactions energy: -653.252 where: short stacking energy: -297.023 Base-Backbone interact. energy: -0.632 local terms energy: -299.480759 where: bonds (distance) C4'-P energy: -47.176 bonds (distance) P-C4' energy: -56.862 flat angles C4'-P-C4' energy: -60.973 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -89.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -927.158790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.158790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.158790 (E_RNA) where: Base-Base interactions energy: -647.719 where: short stacking energy: -281.268 Base-Backbone interact. energy: -0.087 local terms energy: -279.352499 where: bonds (distance) C4'-P energy: -58.272 bonds (distance) P-C4' energy: -42.227 flat angles C4'-P-C4' energy: -56.391 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: -79.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -846.289372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.289372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.289372 (E_RNA) where: Base-Base interactions energy: -582.448 where: short stacking energy: -262.415 Base-Backbone interact. energy: 0.678 local terms energy: -264.519282 where: bonds (distance) C4'-P energy: -52.448 bonds (distance) P-C4' energy: -47.407 flat angles C4'-P-C4' energy: -54.878 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -65.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -637.810887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.810887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.810887 (E_RNA) where: Base-Base interactions energy: -418.403 where: short stacking energy: -200.279 Base-Backbone interact. energy: 0.234 local terms energy: -219.641933 where: bonds (distance) C4'-P energy: -45.283 bonds (distance) P-C4' energy: -50.666 flat angles C4'-P-C4' energy: -57.618 flat angles P-C4'-P energy: -25.265 tors. eta vs tors. theta energy: -40.810 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: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -694.792154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.792154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.792154 (E_RNA) where: Base-Base interactions energy: -470.222 where: short stacking energy: -204.937 Base-Backbone interact. energy: -1.442 local terms energy: -223.128901 where: bonds (distance) C4'-P energy: -48.362 bonds (distance) P-C4' energy: -51.320 flat angles C4'-P-C4' energy: -49.466 flat angles P-C4'-P energy: -31.049 tors. eta vs tors. theta energy: -42.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -439.660412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.660412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.660412 (E_RNA) where: Base-Base interactions energy: -248.502 where: short stacking energy: -126.001 Base-Backbone interact. energy: -1.686 local terms energy: -189.472761 where: bonds (distance) C4'-P energy: -42.714 bonds (distance) P-C4' energy: -54.245 flat angles C4'-P-C4' energy: -45.697 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: -13.449 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: 476 Temperature: 1.350000 Total energy: -244.667715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.667715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.667715 (E_RNA) where: Base-Base interactions energy: -96.631 where: short stacking energy: -90.152 Base-Backbone interact. energy: -0.861 local terms energy: -147.175448 where: bonds (distance) C4'-P energy: -47.663 bonds (distance) P-C4' energy: -53.376 flat angles C4'-P-C4' energy: -32.066 flat angles P-C4'-P energy: -13.190 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1059.289048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.289048 (E_RNA) where: Base-Base interactions energy: -736.242 where: short stacking energy: -319.825 Base-Backbone interact. energy: 4.301 local terms energy: -327.348765 where: bonds (distance) C4'-P energy: -65.466 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -64.693 flat angles P-C4'-P energy: -41.212 tors. eta vs tors. theta energy: -95.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1017.116619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.116619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.116619 (E_RNA) where: Base-Base interactions energy: -711.439 where: short stacking energy: -300.578 Base-Backbone interact. energy: -2.134 local terms energy: -303.543198 where: bonds (distance) C4'-P energy: -59.835 bonds (distance) P-C4' energy: -54.191 flat angles C4'-P-C4' energy: -62.543 flat angles P-C4'-P energy: -43.308 tors. eta vs tors. theta energy: -83.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -980.024472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.024472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.024472 (E_RNA) where: Base-Base interactions energy: -681.938 where: short stacking energy: -275.902 Base-Backbone interact. energy: -2.089 local terms energy: -295.997300 where: bonds (distance) C4'-P energy: -53.861 bonds (distance) P-C4' energy: -63.021 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -42.581 tors. eta vs tors. theta energy: -74.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -969.130928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.130928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.130928 (E_RNA) where: Base-Base interactions energy: -662.941 where: short stacking energy: -281.933 Base-Backbone interact. energy: -1.370 local terms energy: -304.820289 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -57.050 flat angles C4'-P-C4' energy: -65.540 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -81.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -926.305443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.305443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.305443 (E_RNA) where: Base-Base interactions energy: -633.317 where: short stacking energy: -279.341 Base-Backbone interact. energy: -0.262 local terms energy: -292.726683 where: bonds (distance) C4'-P energy: -47.896 bonds (distance) P-C4' energy: -66.365 flat angles C4'-P-C4' energy: -57.203 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -73.304 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: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -821.057409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.057409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.057409 (E_RNA) where: Base-Base interactions energy: -559.931 where: short stacking energy: -244.101 Base-Backbone interact. energy: -0.878 local terms energy: -260.248669 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -48.771 flat angles C4'-P-C4' energy: -60.362 flat angles P-C4'-P energy: -33.741 tors. eta vs tors. theta energy: -61.678 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: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -646.098586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.098586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.098586 (E_RNA) where: Base-Base interactions energy: -407.784 where: short stacking energy: -187.751 Base-Backbone interact. energy: 0.454 local terms energy: -238.768354 where: bonds (distance) C4'-P energy: -48.560 bonds (distance) P-C4' energy: -62.335 flat angles C4'-P-C4' energy: -52.176 flat angles P-C4'-P energy: -26.351 tors. eta vs tors. theta energy: -49.347 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: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -693.274781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.274781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.274781 (E_RNA) where: Base-Base interactions energy: -476.297 where: short stacking energy: -206.889 Base-Backbone interact. energy: -0.231 local terms energy: -216.746423 where: bonds (distance) C4'-P energy: -37.538 bonds (distance) P-C4' energy: -42.564 flat angles C4'-P-C4' energy: -61.269 flat angles P-C4'-P energy: -35.328 tors. eta vs tors. theta energy: -40.047 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: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -447.472487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.472487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.472487 (E_RNA) where: Base-Base interactions energy: -239.487 where: short stacking energy: -124.729 Base-Backbone interact. energy: -0.218 local terms energy: -207.767092 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -57.809 flat angles C4'-P-C4' energy: -55.959 flat angles P-C4'-P energy: -21.598 tors. eta vs tors. theta energy: -19.234 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: 477 Temperature: 1.350000 Total energy: -285.133587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.133587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.133587 (E_RNA) where: Base-Base interactions energy: -108.853 where: short stacking energy: -90.587 Base-Backbone interact. energy: -0.374 local terms energy: -175.906439 where: bonds (distance) C4'-P energy: -47.500 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -47.739 flat angles P-C4'-P energy: -24.201 tors. eta vs tors. theta energy: 1.105 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: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1070.747125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.747125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.747125 (E_RNA) where: Base-Base interactions energy: -735.849 where: short stacking energy: -311.980 Base-Backbone interact. energy: -1.148 local terms energy: -333.749968 where: bonds (distance) C4'-P energy: -65.267 bonds (distance) P-C4' energy: -64.810 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -44.352 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: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1014.176654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.176654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.176654 (E_RNA) where: Base-Base interactions energy: -705.962 where: short stacking energy: -305.343 Base-Backbone interact. energy: -2.397 local terms energy: -305.817251 where: bonds (distance) C4'-P energy: -56.327 bonds (distance) P-C4' energy: -58.745 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -86.970 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: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -992.830191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.830191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.830191 (E_RNA) where: Base-Base interactions energy: -694.209 where: short stacking energy: -282.804 Base-Backbone interact. energy: 1.390 local terms energy: -300.010320 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -59.799 flat angles C4'-P-C4' energy: -60.175 flat angles P-C4'-P energy: -39.581 tors. eta vs tors. theta energy: -80.643 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: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -936.099455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.099455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.099455 (E_RNA) where: Base-Base interactions energy: -647.618 where: short stacking energy: -298.174 Base-Backbone interact. energy: -0.221 local terms energy: -288.260458 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -53.897 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -41.575 tors. eta vs tors. theta energy: -86.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -948.496167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.496167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.496167 (E_RNA) where: Base-Base interactions energy: -645.046 where: short stacking energy: -278.944 Base-Backbone interact. energy: -1.337 local terms energy: -302.113111 where: bonds (distance) C4'-P energy: -51.398 bonds (distance) P-C4' energy: -61.892 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -82.459 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: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -826.822952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.822952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.822952 (E_RNA) where: Base-Base interactions energy: -557.289 where: short stacking energy: -248.099 Base-Backbone interact. energy: -0.952 local terms energy: -268.582358 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -43.496 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -36.448 tors. eta vs tors. theta energy: -77.413 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: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -672.882525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.882525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.882525 (E_RNA) where: Base-Base interactions energy: -427.737 where: short stacking energy: -184.447 Base-Backbone interact. energy: -0.741 local terms energy: -244.404830 where: bonds (distance) C4'-P energy: -50.822 bonds (distance) P-C4' energy: -56.753 flat angles C4'-P-C4' energy: -58.445 flat angles P-C4'-P energy: -42.956 tors. eta vs tors. theta energy: -35.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -639.537867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.537867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.537867 (E_RNA) where: Base-Base interactions energy: -421.767 where: short stacking energy: -183.655 Base-Backbone interact. energy: 2.584 local terms energy: -220.355099 where: bonds (distance) C4'-P energy: -47.843 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -49.753 flat angles P-C4'-P energy: -24.284 tors. eta vs tors. theta energy: -39.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -422.591433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.591433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.591433 (E_RNA) where: Base-Base interactions energy: -227.524 where: short stacking energy: -135.233 Base-Backbone interact. energy: 0.348 local terms energy: -195.415192 where: bonds (distance) C4'-P energy: -47.688 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -43.039 flat angles P-C4'-P energy: -24.377 tors. eta vs tors. theta energy: -26.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -269.109867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.109867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.109867 (E_RNA) where: Base-Base interactions energy: -100.579 where: short stacking energy: -74.379 Base-Backbone interact. energy: -1.202 local terms energy: -167.328627 where: bonds (distance) C4'-P energy: -42.571 bonds (distance) P-C4' energy: -46.101 flat angles C4'-P-C4' energy: -49.812 flat angles P-C4'-P energy: -24.153 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1059.280052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.280052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.280052 (E_RNA) where: Base-Base interactions energy: -734.924 where: short stacking energy: -332.010 Base-Backbone interact. energy: -0.645 local terms energy: -323.711404 where: bonds (distance) C4'-P energy: -53.091 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -67.452 flat angles P-C4'-P energy: -48.132 tors. eta vs tors. theta energy: -91.061 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: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1012.769006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.769006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.769006 (E_RNA) where: Base-Base interactions energy: -712.942 where: short stacking energy: -287.242 Base-Backbone interact. energy: -1.667 local terms energy: -298.160455 where: bonds (distance) C4'-P energy: -56.438 bonds (distance) P-C4' energy: -58.454 flat angles C4'-P-C4' energy: -61.670 flat angles P-C4'-P energy: -35.878 tors. eta vs tors. theta energy: -85.721 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: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -990.935315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.935315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.935315 (E_RNA) where: Base-Base interactions energy: -696.909 where: short stacking energy: -304.044 Base-Backbone interact. energy: 2.502 local terms energy: -296.528142 where: bonds (distance) C4'-P energy: -51.513 bonds (distance) P-C4' energy: -52.224 flat angles C4'-P-C4' energy: -67.484 flat angles P-C4'-P energy: -38.832 tors. eta vs tors. theta energy: -86.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -965.363771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.363771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.363771 (E_RNA) where: Base-Base interactions energy: -652.464 where: short stacking energy: -295.046 Base-Backbone interact. energy: -0.586 local terms energy: -312.313044 where: bonds (distance) C4'-P energy: -55.332 bonds (distance) P-C4' energy: -51.744 flat angles C4'-P-C4' energy: -66.271 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -94.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -948.288784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.288784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.288784 (E_RNA) where: Base-Base interactions energy: -649.912 where: short stacking energy: -285.241 Base-Backbone interact. energy: 1.401 local terms energy: -299.777919 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -53.057 flat angles C4'-P-C4' energy: -60.789 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -88.354 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: 6, replica: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -833.754930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.754930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.754930 (E_RNA) where: Base-Base interactions energy: -581.238 where: short stacking energy: -259.641 Base-Backbone interact. energy: -0.294 local terms energy: -252.223614 where: bonds (distance) C4'-P energy: -42.338 bonds (distance) P-C4' energy: -49.822 flat angles C4'-P-C4' energy: -59.170 flat angles P-C4'-P energy: -34.565 tors. eta vs tors. theta energy: -66.328 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: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -703.636803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.636803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.636803 (E_RNA) where: Base-Base interactions energy: -466.467 where: short stacking energy: -203.079 Base-Backbone interact. energy: -2.151 local terms energy: -235.018890 where: bonds (distance) C4'-P energy: -49.910 bonds (distance) P-C4' energy: -55.945 flat angles C4'-P-C4' energy: -55.648 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -36.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -660.842862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.842862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.842862 (E_RNA) where: Base-Base interactions energy: -422.839 where: short stacking energy: -198.954 Base-Backbone interact. energy: -0.756 local terms energy: -237.247774 where: bonds (distance) C4'-P energy: -52.960 bonds (distance) P-C4' energy: -51.152 flat angles C4'-P-C4' energy: -53.448 flat angles P-C4'-P energy: -37.067 tors. eta vs tors. theta energy: -42.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -399.026753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.026753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.026753 (E_RNA) where: Base-Base interactions energy: -225.761 where: short stacking energy: -126.044 Base-Backbone interact. energy: 4.306 local terms energy: -177.571394 where: bonds (distance) C4'-P energy: -45.045 bonds (distance) P-C4' energy: -45.713 flat angles C4'-P-C4' energy: -45.614 flat angles P-C4'-P energy: -28.517 tors. eta vs tors. theta energy: -12.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -260.483012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.483012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.483012 (E_RNA) where: Base-Base interactions energy: -87.546 where: short stacking energy: -64.118 Base-Backbone interact. energy: 0.347 local terms energy: -173.283867 where: bonds (distance) C4'-P energy: -51.470 bonds (distance) P-C4' energy: -57.897 flat angles C4'-P-C4' energy: -29.483 flat angles P-C4'-P energy: -27.335 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1056.425372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.425372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.425372 (E_RNA) where: Base-Base interactions energy: -741.494 where: short stacking energy: -325.389 Base-Backbone interact. energy: -0.520 local terms energy: -314.411291 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -55.509 flat angles C4'-P-C4' energy: -70.340 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -93.975 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: 9 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1019.584746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.584746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.584746 (E_RNA) where: Base-Base interactions energy: -707.170 where: short stacking energy: -304.609 Base-Backbone interact. energy: -1.384 local terms energy: -311.030802 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -58.386 flat angles C4'-P-C4' energy: -65.481 flat angles P-C4'-P energy: -42.500 tors. eta vs tors. theta energy: -89.242 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: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -981.359943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.359943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.359943 (E_RNA) where: Base-Base interactions energy: -680.816 where: short stacking energy: -309.805 Base-Backbone interact. energy: -0.526 local terms energy: -300.018243 where: bonds (distance) C4'-P energy: -54.523 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -62.919 flat angles P-C4'-P energy: -38.536 tors. eta vs tors. theta energy: -85.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -976.441786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.441786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.441786 (E_RNA) where: Base-Base interactions energy: -678.780 where: short stacking energy: -297.885 Base-Backbone interact. energy: -0.930 local terms energy: -296.732170 where: bonds (distance) C4'-P energy: -50.493 bonds (distance) P-C4' energy: -44.230 flat angles C4'-P-C4' energy: -70.437 flat angles P-C4'-P energy: -37.495 tors. eta vs tors. theta energy: -94.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -902.165527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.165527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.165527 (E_RNA) where: Base-Base interactions energy: -619.239 where: short stacking energy: -278.999 Base-Backbone interact. energy: -0.452 local terms energy: -282.474784 where: bonds (distance) C4'-P energy: -51.967 bonds (distance) P-C4' energy: -45.406 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -78.379 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: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -858.958996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.958996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.958996 (E_RNA) where: Base-Base interactions energy: -587.234 where: short stacking energy: -269.007 Base-Backbone interact. energy: -0.226 local terms energy: -271.498083 where: bonds (distance) C4'-P energy: -52.481 bonds (distance) P-C4' energy: -46.362 flat angles C4'-P-C4' energy: -66.630 flat angles P-C4'-P energy: -38.255 tors. eta vs tors. theta energy: -67.770 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: 480 Temperature: 1.200000 Total energy: -704.336399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.336399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.336399 (E_RNA) where: Base-Base interactions energy: -456.249 where: short stacking energy: -216.705 Base-Backbone interact. energy: -0.733 local terms energy: -247.354113 where: bonds (distance) C4'-P energy: -55.112 bonds (distance) P-C4' energy: -43.742 flat angles C4'-P-C4' energy: -53.739 flat angles P-C4'-P energy: -37.501 tors. eta vs tors. theta energy: -57.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -664.952554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.952554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.952554 (E_RNA) where: Base-Base interactions energy: -436.879 where: short stacking energy: -189.981 Base-Backbone interact. energy: -0.091 local terms energy: -227.982355 where: bonds (distance) C4'-P energy: -40.055 bonds (distance) P-C4' energy: -55.454 flat angles C4'-P-C4' energy: -59.485 flat angles P-C4'-P energy: -30.620 tors. eta vs tors. theta energy: -42.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -416.447495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.447495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.447495 (E_RNA) where: Base-Base interactions energy: -222.903 where: short stacking energy: -156.303 Base-Backbone interact. energy: -0.017 local terms energy: -193.528031 where: bonds (distance) C4'-P energy: -46.240 bonds (distance) P-C4' energy: -51.466 flat angles C4'-P-C4' energy: -46.864 flat angles P-C4'-P energy: -31.380 tors. eta vs tors. theta energy: -17.578 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: 480 Temperature: 1.350000 Total energy: -276.609281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.609281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.609281 (E_RNA) where: Base-Base interactions energy: -99.103 where: short stacking energy: -75.866 Base-Backbone interact. energy: -0.856 local terms energy: -176.649972 where: bonds (distance) C4'-P energy: -47.769 bonds (distance) P-C4' energy: -49.546 flat angles C4'-P-C4' energy: -48.489 flat angles P-C4'-P energy: -30.279 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1047.600665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.600665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.600665 (E_RNA) where: Base-Base interactions energy: -730.414 where: short stacking energy: -307.540 Base-Backbone interact. energy: -0.576 local terms energy: -316.611251 where: bonds (distance) C4'-P energy: -57.726 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -65.755 flat angles P-C4'-P energy: -38.033 tors. eta vs tors. theta energy: -90.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1035.389812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.389812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.389812 (E_RNA) where: Base-Base interactions energy: -720.540 where: short stacking energy: -319.009 Base-Backbone interact. energy: -1.222 local terms energy: -313.627869 where: bonds (distance) C4'-P energy: -59.147 bonds (distance) P-C4' energy: -59.739 flat angles C4'-P-C4' energy: -62.410 flat angles P-C4'-P energy: -37.503 tors. eta vs tors. theta energy: -94.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -992.333179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.333179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.333179 (E_RNA) where: Base-Base interactions energy: -687.920 where: short stacking energy: -300.943 Base-Backbone interact. energy: -1.676 local terms energy: -302.737331 where: bonds (distance) C4'-P energy: -53.817 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -59.261 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -92.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -995.013206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.013206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.013206 (E_RNA) where: Base-Base interactions energy: -687.559 where: short stacking energy: -312.182 Base-Backbone interact. energy: -1.921 local terms energy: -305.533361 where: bonds (distance) C4'-P energy: -62.982 bonds (distance) P-C4' energy: -44.408 flat angles C4'-P-C4' energy: -66.818 flat angles P-C4'-P energy: -44.688 tors. eta vs tors. theta energy: -86.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -908.895132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.895132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.895132 (E_RNA) where: Base-Base interactions energy: -621.765 where: short stacking energy: -285.355 Base-Backbone interact. energy: -0.306 local terms energy: -286.823603 where: bonds (distance) C4'-P energy: -47.714 bonds (distance) P-C4' energy: -56.849 flat angles C4'-P-C4' energy: -59.627 flat angles P-C4'-P energy: -40.432 tors. eta vs tors. theta energy: -82.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -849.530796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.530796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.530796 (E_RNA) where: Base-Base interactions energy: -582.773 where: short stacking energy: -246.281 Base-Backbone interact. energy: -1.663 local terms energy: -265.094789 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -52.739 flat angles C4'-P-C4' energy: -56.383 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -62.001 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: 481 Temperature: 1.200000 Total energy: -716.026645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.026645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.026645 (E_RNA) where: Base-Base interactions energy: -465.689 where: short stacking energy: -221.401 Base-Backbone interact. energy: 1.005 local terms energy: -251.342700 where: bonds (distance) C4'-P energy: -54.674 bonds (distance) P-C4' energy: -50.991 flat angles C4'-P-C4' energy: -50.240 flat angles P-C4'-P energy: -34.148 tors. eta vs tors. theta energy: -61.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -706.992614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.992614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.992614 (E_RNA) where: Base-Base interactions energy: -471.178 where: short stacking energy: -216.902 Base-Backbone interact. energy: -1.294 local terms energy: -234.520090 where: bonds (distance) C4'-P energy: -40.120 bonds (distance) P-C4' energy: -44.547 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -49.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -379.043713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.043713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.043713 (E_RNA) where: Base-Base interactions energy: -211.338 where: short stacking energy: -118.189 Base-Backbone interact. energy: -1.514 local terms energy: -166.191835 where: bonds (distance) C4'-P energy: -40.713 bonds (distance) P-C4' energy: -47.886 flat angles C4'-P-C4' energy: -52.725 flat angles P-C4'-P energy: -11.011 tors. eta vs tors. theta energy: -13.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -253.520560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.520560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.520560 (E_RNA) where: Base-Base interactions energy: -95.391 where: short stacking energy: -84.264 Base-Backbone interact. energy: 4.147 local terms energy: -162.276925 where: bonds (distance) C4'-P energy: -52.992 bonds (distance) P-C4' energy: -43.922 flat angles C4'-P-C4' energy: -37.488 flat angles P-C4'-P energy: -33.814 tors. eta vs tors. theta energy: 5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1032.061358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.061358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.061358 (E_RNA) where: Base-Base interactions energy: -730.153 where: short stacking energy: -305.192 Base-Backbone interact. energy: 0.808 local terms energy: -302.716203 where: bonds (distance) C4'-P energy: -43.736 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -67.834 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -93.027 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: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1031.728395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.728395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.728395 (E_RNA) where: Base-Base interactions energy: -728.934 where: short stacking energy: -307.390 Base-Backbone interact. energy: -0.956 local terms energy: -301.838356 where: bonds (distance) C4'-P energy: -55.720 bonds (distance) P-C4' energy: -65.045 flat angles C4'-P-C4' energy: -49.777 flat angles P-C4'-P energy: -42.023 tors. eta vs tors. theta energy: -89.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1002.151228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.151228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.151228 (E_RNA) where: Base-Base interactions energy: -694.874 where: short stacking energy: -318.567 Base-Backbone interact. energy: 0.237 local terms energy: -307.514783 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -53.757 flat angles C4'-P-C4' energy: -61.471 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -91.511 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: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1011.843248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.843248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.843248 (E_RNA) where: Base-Base interactions energy: -705.228 where: short stacking energy: -311.962 Base-Backbone interact. energy: -1.150 local terms energy: -305.464981 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -55.255 flat angles C4'-P-C4' energy: -60.033 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -92.287 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: 482 Temperature: 1.100000 Total energy: -920.591333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.591333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.591333 (E_RNA) where: Base-Base interactions energy: -621.012 where: short stacking energy: -276.832 Base-Backbone interact. energy: -1.156 local terms energy: -298.422753 where: bonds (distance) C4'-P energy: -53.977 bonds (distance) P-C4' energy: -60.300 flat angles C4'-P-C4' energy: -59.689 flat angles P-C4'-P energy: -37.421 tors. eta vs tors. theta energy: -87.036 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: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -804.533372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.533372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.533372 (E_RNA) where: Base-Base interactions energy: -555.905 where: short stacking energy: -248.178 Base-Backbone interact. energy: -0.476 local terms energy: -248.152377 where: bonds (distance) C4'-P energy: -50.838 bonds (distance) P-C4' energy: -45.787 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -36.919 tors. eta vs tors. theta energy: -53.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -687.388985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.388985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.388985 (E_RNA) where: Base-Base interactions energy: -473.109 where: short stacking energy: -202.916 Base-Backbone interact. energy: -1.355 local terms energy: -212.925055 where: bonds (distance) C4'-P energy: -39.315 bonds (distance) P-C4' energy: -55.730 flat angles C4'-P-C4' energy: -47.014 flat angles P-C4'-P energy: -29.618 tors. eta vs tors. theta energy: -41.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -648.135388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.135388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.135388 (E_RNA) where: Base-Base interactions energy: -434.231 where: short stacking energy: -188.694 Base-Backbone interact. energy: -1.161 local terms energy: -212.743489 where: bonds (distance) C4'-P energy: -48.563 bonds (distance) P-C4' energy: -36.870 flat angles C4'-P-C4' energy: -48.700 flat angles P-C4'-P energy: -33.763 tors. eta vs tors. theta energy: -44.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -349.502581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.502581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.502581 (E_RNA) where: Base-Base interactions energy: -164.441 where: short stacking energy: -98.352 Base-Backbone interact. energy: -0.015 local terms energy: -185.046029 where: bonds (distance) C4'-P energy: -43.164 bonds (distance) P-C4' energy: -52.839 flat angles C4'-P-C4' energy: -50.156 flat angles P-C4'-P energy: -27.483 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -264.887267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.887267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.887267 (E_RNA) where: Base-Base interactions energy: -111.996 where: short stacking energy: -90.948 Base-Backbone interact. energy: 1.769 local terms energy: -154.659734 where: bonds (distance) C4'-P energy: -41.408 bonds (distance) P-C4' energy: -53.063 flat angles C4'-P-C4' energy: -40.219 flat angles P-C4'-P energy: -16.234 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1040.319365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.319365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.319365 (E_RNA) where: Base-Base interactions energy: -721.126 where: short stacking energy: -304.214 Base-Backbone interact. energy: -0.990 local terms energy: -318.203656 where: bonds (distance) C4'-P energy: -61.315 bonds (distance) P-C4' energy: -57.110 flat angles C4'-P-C4' energy: -63.656 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -90.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1039.318640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.318640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.318640 (E_RNA) where: Base-Base interactions energy: -707.381 where: short stacking energy: -306.218 Base-Backbone interact. energy: -1.241 local terms energy: -330.696896 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -54.283 flat angles C4'-P-C4' energy: -72.456 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -91.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -995.592298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.592298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.592298 (E_RNA) where: Base-Base interactions energy: -682.588 where: short stacking energy: -303.073 Base-Backbone interact. energy: -0.557 local terms energy: -312.447329 where: bonds (distance) C4'-P energy: -51.906 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -46.494 tors. eta vs tors. theta energy: -87.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1001.987042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.987042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.987042 (E_RNA) where: Base-Base interactions energy: -689.708 where: short stacking energy: -320.280 Base-Backbone interact. energy: -1.325 local terms energy: -310.954172 where: bonds (distance) C4'-P energy: -45.826 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -69.764 flat angles P-C4'-P energy: -36.753 tors. eta vs tors. theta energy: -93.214 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: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -931.921036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.921036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.921036 (E_RNA) where: Base-Base interactions energy: -632.276 where: short stacking energy: -278.478 Base-Backbone interact. energy: -0.206 local terms energy: -299.439053 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -61.366 flat angles C4'-P-C4' energy: -55.961 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: -84.184 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: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -795.352127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.352127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.352127 (E_RNA) where: Base-Base interactions energy: -522.453 where: short stacking energy: -212.116 Base-Backbone interact. energy: -1.078 local terms energy: -271.821068 where: bonds (distance) C4'-P energy: -58.506 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -31.918 tors. eta vs tors. theta energy: -64.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -704.704677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.704677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.704677 (E_RNA) where: Base-Base interactions energy: -450.737 where: short stacking energy: -202.777 Base-Backbone interact. energy: -0.636 local terms energy: -253.331896 where: bonds (distance) C4'-P energy: -58.321 bonds (distance) P-C4' energy: -57.131 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -40.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -647.357288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.357288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.357288 (E_RNA) where: Base-Base interactions energy: -416.500 where: short stacking energy: -196.546 Base-Backbone interact. energy: -0.743 local terms energy: -230.113956 where: bonds (distance) C4'-P energy: -46.590 bonds (distance) P-C4' energy: -49.226 flat angles C4'-P-C4' energy: -58.139 flat angles P-C4'-P energy: -33.266 tors. eta vs tors. theta energy: -42.893 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: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -378.298973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.298973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.298973 (E_RNA) where: Base-Base interactions energy: -182.133 where: short stacking energy: -108.651 Base-Backbone interact. energy: -0.549 local terms energy: -195.616513 where: bonds (distance) C4'-P energy: -52.667 bonds (distance) P-C4' energy: -62.918 flat angles C4'-P-C4' energy: -36.669 flat angles P-C4'-P energy: -30.060 tors. eta vs tors. theta energy: -13.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -260.157383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.157383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.157383 (E_RNA) where: Base-Base interactions energy: -104.463 where: short stacking energy: -79.677 Base-Backbone interact. energy: 0.940 local terms energy: -156.633565 where: bonds (distance) C4'-P energy: -46.224 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -34.503 flat angles P-C4'-P energy: -26.371 tors. eta vs tors. theta energy: 8.391 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: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1048.366239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.366239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.366239 (E_RNA) where: Base-Base interactions energy: -737.531 where: short stacking energy: -308.315 Base-Backbone interact. energy: -0.538 local terms energy: -310.297448 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -51.427 flat angles C4'-P-C4' energy: -65.052 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: -88.019 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: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1022.002250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.002250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.002250 (E_RNA) where: Base-Base interactions energy: -715.929 where: short stacking energy: -322.745 Base-Backbone interact. energy: -0.793 local terms energy: -305.280339 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -54.890 flat angles C4'-P-C4' energy: -62.478 flat angles P-C4'-P energy: -40.484 tors. eta vs tors. theta energy: -91.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1010.017044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.017044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.017044 (E_RNA) where: Base-Base interactions energy: -690.758 where: short stacking energy: -315.191 Base-Backbone interact. energy: -0.434 local terms energy: -318.824795 where: bonds (distance) C4'-P energy: -51.316 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -66.581 flat angles P-C4'-P energy: -46.728 tors. eta vs tors. theta energy: -90.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1009.385501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.385501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.385501 (E_RNA) where: Base-Base interactions energy: -684.925 where: short stacking energy: -312.644 Base-Backbone interact. energy: 0.297 local terms energy: -324.757191 where: bonds (distance) C4'-P energy: -57.496 bonds (distance) P-C4' energy: -62.814 flat angles C4'-P-C4' energy: -61.566 flat angles P-C4'-P energy: -50.341 tors. eta vs tors. theta energy: -92.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -937.279288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.279288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.279288 (E_RNA) where: Base-Base interactions energy: -645.819 where: short stacking energy: -286.077 Base-Backbone interact. energy: -1.264 local terms energy: -290.196355 where: bonds (distance) C4'-P energy: -57.408 bonds (distance) P-C4' energy: -49.566 flat angles C4'-P-C4' energy: -55.532 flat angles P-C4'-P energy: -40.812 tors. eta vs tors. theta energy: -86.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -799.245251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.245251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.245251 (E_RNA) where: Base-Base interactions energy: -550.046 where: short stacking energy: -245.349 Base-Backbone interact. energy: 1.157 local terms energy: -250.356056 where: bonds (distance) C4'-P energy: -45.045 bonds (distance) P-C4' energy: -51.177 flat angles C4'-P-C4' energy: -56.730 flat angles P-C4'-P energy: -31.963 tors. eta vs tors. theta energy: -65.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -656.423786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.423786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.423786 (E_RNA) where: Base-Base interactions energy: -445.760 where: short stacking energy: -210.344 Base-Backbone interact. energy: -0.234 local terms energy: -210.430263 where: bonds (distance) C4'-P energy: -40.121 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -39.822 flat angles P-C4'-P energy: -32.148 tors. eta vs tors. theta energy: -42.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -623.103769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.103769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.103769 (E_RNA) where: Base-Base interactions energy: -410.173 where: short stacking energy: -190.555 Base-Backbone interact. energy: -0.533 local terms energy: -212.397927 where: bonds (distance) C4'-P energy: -52.317 bonds (distance) P-C4' energy: -48.853 flat angles C4'-P-C4' energy: -46.009 flat angles P-C4'-P energy: -23.996 tors. eta vs tors. theta energy: -41.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -397.997310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.997310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.997310 (E_RNA) where: Base-Base interactions energy: -207.404 where: short stacking energy: -117.381 Base-Backbone interact. energy: -1.233 local terms energy: -189.360017 where: bonds (distance) C4'-P energy: -46.947 bonds (distance) P-C4' energy: -52.118 flat angles C4'-P-C4' energy: -51.387 flat angles P-C4'-P energy: -30.904 tors. eta vs tors. theta energy: -8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -339.997818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.997818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.997818 (E_RNA) where: Base-Base interactions energy: -181.408 where: short stacking energy: -91.493 Base-Backbone interact. energy: -2.301 local terms energy: -156.289118 where: bonds (distance) C4'-P energy: -46.204 bonds (distance) P-C4' energy: -40.509 flat angles C4'-P-C4' energy: -42.099 flat angles P-C4'-P energy: -27.211 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1031.903987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.903987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.903987 (E_RNA) where: Base-Base interactions energy: -722.343 where: short stacking energy: -319.520 Base-Backbone interact. energy: -1.364 local terms energy: -308.196938 where: bonds (distance) C4'-P energy: -57.172 bonds (distance) P-C4' energy: -52.404 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -45.268 tors. eta vs tors. theta energy: -90.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1035.819331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.819331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.819331 (E_RNA) where: Base-Base interactions energy: -731.028 where: short stacking energy: -317.698 Base-Backbone interact. energy: -2.178 local terms energy: -302.613817 where: bonds (distance) C4'-P energy: -54.496 bonds (distance) P-C4' energy: -56.083 flat angles C4'-P-C4' energy: -62.750 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -86.406 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: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -989.641280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.641280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.641280 (E_RNA) where: Base-Base interactions energy: -682.407 where: short stacking energy: -309.841 Base-Backbone interact. energy: -0.501 local terms energy: -306.733457 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -53.035 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -93.520 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: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -998.019827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.019827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.019827 (E_RNA) where: Base-Base interactions energy: -703.781 where: short stacking energy: -306.385 Base-Backbone interact. energy: -0.444 local terms energy: -293.795556 where: bonds (distance) C4'-P energy: -52.765 bonds (distance) P-C4' energy: -56.340 flat angles C4'-P-C4' energy: -56.685 flat angles P-C4'-P energy: -35.516 tors. eta vs tors. theta energy: -92.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -938.942331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.942331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.942331 (E_RNA) where: Base-Base interactions energy: -652.380 where: short stacking energy: -298.367 Base-Backbone interact. energy: -0.316 local terms energy: -286.246618 where: bonds (distance) C4'-P energy: -44.299 bonds (distance) P-C4' energy: -55.450 flat angles C4'-P-C4' energy: -59.374 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -87.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -814.105685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.105685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.105685 (E_RNA) where: Base-Base interactions energy: -549.010 where: short stacking energy: -254.332 Base-Backbone interact. energy: 0.594 local terms energy: -265.689794 where: bonds (distance) C4'-P energy: -47.710 bonds (distance) P-C4' energy: -46.959 flat angles C4'-P-C4' energy: -60.376 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -71.636 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: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -671.279508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.279508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.279508 (E_RNA) where: Base-Base interactions energy: -445.967 where: short stacking energy: -200.840 Base-Backbone interact. energy: 2.546 local terms energy: -227.858501 where: bonds (distance) C4'-P energy: -45.266 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -51.190 flat angles P-C4'-P energy: -38.640 tors. eta vs tors. theta energy: -36.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -658.435740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.435740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.435740 (E_RNA) where: Base-Base interactions energy: -458.482 where: short stacking energy: -192.034 Base-Backbone interact. energy: -0.490 local terms energy: -199.463295 where: bonds (distance) C4'-P energy: -39.964 bonds (distance) P-C4' energy: -47.854 flat angles C4'-P-C4' energy: -46.162 flat angles P-C4'-P energy: -24.477 tors. eta vs tors. theta energy: -41.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -371.701679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.701679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.701679 (E_RNA) where: Base-Base interactions energy: -183.119 where: short stacking energy: -103.993 Base-Backbone interact. energy: -1.693 local terms energy: -186.889529 where: bonds (distance) C4'-P energy: -46.928 bonds (distance) P-C4' energy: -55.306 flat angles C4'-P-C4' energy: -40.480 flat angles P-C4'-P energy: -26.686 tors. eta vs tors. theta energy: -17.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -375.887763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.887763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.887763 (E_RNA) where: Base-Base interactions energy: -199.737 where: short stacking energy: -120.480 Base-Backbone interact. energy: -1.396 local terms energy: -174.754607 where: bonds (distance) C4'-P energy: -36.974 bonds (distance) P-C4' energy: -47.917 flat angles C4'-P-C4' energy: -45.155 flat angles P-C4'-P energy: -33.158 tors. eta vs tors. theta energy: -11.551 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: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1054.074845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.074845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.074845 (E_RNA) where: Base-Base interactions energy: -724.937 where: short stacking energy: -315.648 Base-Backbone interact. energy: 1.532 local terms energy: -330.669894 where: bonds (distance) C4'-P energy: -62.940 bonds (distance) P-C4' energy: -57.762 flat angles C4'-P-C4' energy: -68.657 flat angles P-C4'-P energy: -49.584 tors. eta vs tors. theta energy: -91.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1002.514888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.514888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.514888 (E_RNA) where: Base-Base interactions energy: -698.193 where: short stacking energy: -315.722 Base-Backbone interact. energy: 0.062 local terms energy: -304.384061 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -57.321 flat angles C4'-P-C4' energy: -67.956 flat angles P-C4'-P energy: -37.293 tors. eta vs tors. theta energy: -89.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1023.751288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.751288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.751288 (E_RNA) where: Base-Base interactions energy: -723.735 where: short stacking energy: -309.450 Base-Backbone interact. energy: -0.065 local terms energy: -299.951151 where: bonds (distance) C4'-P energy: -54.915 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -57.936 flat angles P-C4'-P energy: -45.035 tors. eta vs tors. theta energy: -86.074 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: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -962.627954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.627954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.627954 (E_RNA) where: Base-Base interactions energy: -675.442 where: short stacking energy: -284.273 Base-Backbone interact. energy: -1.574 local terms energy: -285.612755 where: bonds (distance) C4'-P energy: -38.888 bonds (distance) P-C4' energy: -60.866 flat angles C4'-P-C4' energy: -63.526 flat angles P-C4'-P energy: -40.691 tors. eta vs tors. theta energy: -81.642 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: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -911.044494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.044494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.044494 (E_RNA) where: Base-Base interactions energy: -621.522 where: short stacking energy: -277.944 Base-Backbone interact. energy: -0.182 local terms energy: -289.340239 where: bonds (distance) C4'-P energy: -46.059 bonds (distance) P-C4' energy: -54.315 flat angles C4'-P-C4' energy: -63.796 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -83.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -812.823631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.823631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.823631 (E_RNA) where: Base-Base interactions energy: -532.448 where: short stacking energy: -247.670 Base-Backbone interact. energy: -1.674 local terms energy: -278.701388 where: bonds (distance) C4'-P energy: -49.020 bonds (distance) P-C4' energy: -60.997 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -37.872 tors. eta vs tors. theta energy: -73.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -730.971216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.971216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.971216 (E_RNA) where: Base-Base interactions energy: -480.408 where: short stacking energy: -218.039 Base-Backbone interact. energy: -1.601 local terms energy: -248.962276 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -52.608 flat angles C4'-P-C4' energy: -60.361 flat angles P-C4'-P energy: -30.356 tors. eta vs tors. theta energy: -51.484 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: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -661.509936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.509936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.509936 (E_RNA) where: Base-Base interactions energy: -428.404 where: short stacking energy: -196.485 Base-Backbone interact. energy: -0.586 local terms energy: -232.519256 where: bonds (distance) C4'-P energy: -52.496 bonds (distance) P-C4' energy: -52.094 flat angles C4'-P-C4' energy: -55.098 flat angles P-C4'-P energy: -27.721 tors. eta vs tors. theta energy: -45.110 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: 486 Temperature: 1.300000 Total energy: -414.076764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.076764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.076764 (E_RNA) where: Base-Base interactions energy: -234.022 where: short stacking energy: -138.141 Base-Backbone interact. energy: -0.586 local terms energy: -179.469271 where: bonds (distance) C4'-P energy: -49.679 bonds (distance) P-C4' energy: -46.130 flat angles C4'-P-C4' energy: -49.906 flat angles P-C4'-P energy: -23.893 tors. eta vs tors. theta energy: -9.861 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: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -376.410839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.410839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.410839 (E_RNA) where: Base-Base interactions energy: -213.439 where: short stacking energy: -110.210 Base-Backbone interact. energy: 0.775 local terms energy: -163.747112 where: bonds (distance) C4'-P energy: -49.247 bonds (distance) P-C4' energy: -44.163 flat angles C4'-P-C4' energy: -38.313 flat angles P-C4'-P energy: -26.205 tors. eta vs tors. theta energy: -5.819 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: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1059.629346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.629346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.629346 (E_RNA) where: Base-Base interactions energy: -730.613 where: short stacking energy: -322.955 Base-Backbone interact. energy: -2.580 local terms energy: -326.436448 where: bonds (distance) C4'-P energy: -64.942 bonds (distance) P-C4' energy: -63.717 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: -89.796 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: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -997.935123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.935123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.935123 (E_RNA) where: Base-Base interactions energy: -686.868 where: short stacking energy: -293.131 Base-Backbone interact. energy: -1.682 local terms energy: -309.385361 where: bonds (distance) C4'-P energy: -43.645 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -63.703 flat angles P-C4'-P energy: -50.248 tors. eta vs tors. theta energy: -88.039 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: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1022.147935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.147935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.147935 (E_RNA) where: Base-Base interactions energy: -705.881 where: short stacking energy: -306.624 Base-Backbone interact. energy: -0.965 local terms energy: -315.302353 where: bonds (distance) C4'-P energy: -57.118 bonds (distance) P-C4' energy: -52.152 flat angles C4'-P-C4' energy: -68.298 flat angles P-C4'-P energy: -45.196 tors. eta vs tors. theta energy: -92.539 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: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -974.949517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.949517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.949517 (E_RNA) where: Base-Base interactions energy: -676.249 where: short stacking energy: -293.008 Base-Backbone interact. energy: -1.691 local terms energy: -297.008767 where: bonds (distance) C4'-P energy: -51.635 bonds (distance) P-C4' energy: -51.729 flat angles C4'-P-C4' energy: -65.244 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -85.719 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: 6 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -936.943023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.943023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.943023 (E_RNA) where: Base-Base interactions energy: -641.021 where: short stacking energy: -297.757 Base-Backbone interact. energy: -1.954 local terms energy: -293.967868 where: bonds (distance) C4'-P energy: -47.675 bonds (distance) P-C4' energy: -56.163 flat angles C4'-P-C4' energy: -58.619 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -92.883 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: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -821.133978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.133978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.133978 (E_RNA) where: Base-Base interactions energy: -551.711 where: short stacking energy: -247.131 Base-Backbone interact. energy: -2.112 local terms energy: -267.310913 where: bonds (distance) C4'-P energy: -45.450 bonds (distance) P-C4' energy: -54.418 flat angles C4'-P-C4' energy: -69.669 flat angles P-C4'-P energy: -35.543 tors. eta vs tors. theta energy: -62.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -695.175780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.175780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.175780 (E_RNA) where: Base-Base interactions energy: -456.648 where: short stacking energy: -215.914 Base-Backbone interact. energy: -0.970 local terms energy: -237.557414 where: bonds (distance) C4'-P energy: -45.122 bonds (distance) P-C4' energy: -55.964 flat angles C4'-P-C4' energy: -52.900 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -42.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -633.014926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.014926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.014926 (E_RNA) where: Base-Base interactions energy: -404.520 where: short stacking energy: -170.846 Base-Backbone interact. energy: 1.105 local terms energy: -229.599543 where: bonds (distance) C4'-P energy: -46.597 bonds (distance) P-C4' energy: -55.467 flat angles C4'-P-C4' energy: -52.021 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -37.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -415.784769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.784769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.784769 (E_RNA) where: Base-Base interactions energy: -228.838 where: short stacking energy: -123.910 Base-Backbone interact. energy: 0.631 local terms energy: -187.577439 where: bonds (distance) C4'-P energy: -51.723 bonds (distance) P-C4' energy: -51.301 flat angles C4'-P-C4' energy: -46.161 flat angles P-C4'-P energy: -21.751 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: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -377.114636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.114636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.114636 (E_RNA) where: Base-Base interactions energy: -186.421 where: short stacking energy: -106.945 Base-Backbone interact. energy: 4.191 local terms energy: -194.884742 where: bonds (distance) C4'-P energy: -46.828 bonds (distance) P-C4' energy: -59.413 flat angles C4'-P-C4' energy: -37.083 flat angles P-C4'-P energy: -35.021 tors. eta vs tors. theta energy: -16.540 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: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1059.856989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.856989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.856989 (E_RNA) where: Base-Base interactions energy: -736.060 where: short stacking energy: -334.941 Base-Backbone interact. energy: -3.154 local terms energy: -320.643154 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -53.416 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -48.755 tors. eta vs tors. theta energy: -90.420 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: 9 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1000.805141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.805141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.805141 (E_RNA) where: Base-Base interactions energy: -681.501 where: short stacking energy: -290.662 Base-Backbone interact. energy: -1.156 local terms energy: -318.148240 where: bonds (distance) C4'-P energy: -66.886 bonds (distance) P-C4' energy: -59.255 flat angles C4'-P-C4' energy: -63.048 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: -84.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1043.066284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.066284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.066284 (E_RNA) where: Base-Base interactions energy: -725.526 where: short stacking energy: -322.297 Base-Backbone interact. energy: -1.377 local terms energy: -316.163173 where: bonds (distance) C4'-P energy: -50.898 bonds (distance) P-C4' energy: -56.306 flat angles C4'-P-C4' energy: -65.878 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: -97.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -962.266234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.266234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.266234 (E_RNA) where: Base-Base interactions energy: -657.519 where: short stacking energy: -305.726 Base-Backbone interact. energy: -1.322 local terms energy: -303.425389 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -51.695 flat angles C4'-P-C4' energy: -67.914 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -81.470 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: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -920.038801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.038801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.038801 (E_RNA) where: Base-Base interactions energy: -624.882 where: short stacking energy: -273.114 Base-Backbone interact. energy: -0.236 local terms energy: -294.921344 where: bonds (distance) C4'-P energy: -51.786 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -63.703 flat angles P-C4'-P energy: -27.658 tors. eta vs tors. theta energy: -89.213 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: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -821.210359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.210359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.210359 (E_RNA) where: Base-Base interactions energy: -550.992 where: short stacking energy: -247.113 Base-Backbone interact. energy: 0.860 local terms energy: -271.078611 where: bonds (distance) C4'-P energy: -55.108 bonds (distance) P-C4' energy: -49.101 flat angles C4'-P-C4' energy: -60.384 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -59.808 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: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -753.928354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.928354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.928354 (E_RNA) where: Base-Base interactions energy: -494.119 where: short stacking energy: -218.620 Base-Backbone interact. energy: -0.919 local terms energy: -258.890614 where: bonds (distance) C4'-P energy: -52.896 bonds (distance) P-C4' energy: -55.516 flat angles C4'-P-C4' energy: -61.865 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: -54.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -616.407009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.407009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.407009 (E_RNA) where: Base-Base interactions energy: -410.860 where: short stacking energy: -185.566 Base-Backbone interact. energy: 0.124 local terms energy: -205.670883 where: bonds (distance) C4'-P energy: -45.479 bonds (distance) P-C4' energy: -47.118 flat angles C4'-P-C4' energy: -52.018 flat angles P-C4'-P energy: -16.559 tors. eta vs tors. theta energy: -44.497 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: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -411.938249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.938249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.938249 (E_RNA) where: Base-Base interactions energy: -223.068 where: short stacking energy: -120.649 Base-Backbone interact. energy: -0.401 local terms energy: -188.469561 where: bonds (distance) C4'-P energy: -45.616 bonds (distance) P-C4' energy: -51.751 flat angles C4'-P-C4' energy: -43.607 flat angles P-C4'-P energy: -33.412 tors. eta vs tors. theta energy: -14.084 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: 488 Temperature: 1.350000 Total energy: -383.069225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.069225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.069225 (E_RNA) where: Base-Base interactions energy: -180.678 where: short stacking energy: -108.341 Base-Backbone interact. energy: -0.553 local terms energy: -201.838524 where: bonds (distance) C4'-P energy: -57.507 bonds (distance) P-C4' energy: -48.548 flat angles C4'-P-C4' energy: -54.082 flat angles P-C4'-P energy: -28.479 tors. eta vs tors. theta energy: -13.222 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: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1048.386918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.386918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.386918 (E_RNA) where: Base-Base interactions energy: -716.236 where: short stacking energy: -305.561 Base-Backbone interact. energy: -0.592 local terms energy: -331.559151 where: bonds (distance) C4'-P energy: -67.790 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -72.255 flat angles P-C4'-P energy: -37.089 tors. eta vs tors. theta energy: -90.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1055.542263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.542263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.542263 (E_RNA) where: Base-Base interactions energy: -739.310 where: short stacking energy: -333.077 Base-Backbone interact. energy: -1.449 local terms energy: -314.783215 where: bonds (distance) C4'-P energy: -56.265 bonds (distance) P-C4' energy: -51.513 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -96.657 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: 489 Temperature: 1.000000 Total energy: -987.803390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.803390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.803390 (E_RNA) where: Base-Base interactions energy: -689.547 where: short stacking energy: -310.807 Base-Backbone interact. energy: -1.123 local terms energy: -297.133478 where: bonds (distance) C4'-P energy: -54.859 bonds (distance) P-C4' energy: -52.082 flat angles C4'-P-C4' energy: -65.237 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -91.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -937.270474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.270474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.270474 (E_RNA) where: Base-Base interactions energy: -661.056 where: short stacking energy: -278.694 Base-Backbone interact. energy: 0.144 local terms energy: -276.358524 where: bonds (distance) C4'-P energy: -47.148 bonds (distance) P-C4' energy: -55.280 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -35.760 tors. eta vs tors. theta energy: -79.052 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: 5, replica: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -929.620047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.620047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.620047 (E_RNA) where: Base-Base interactions energy: -627.174 where: short stacking energy: -284.523 Base-Backbone interact. energy: -2.574 local terms energy: -299.872220 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -53.014 flat angles C4'-P-C4' energy: -64.967 flat angles P-C4'-P energy: -38.183 tors. eta vs tors. theta energy: -85.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -815.045949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.045949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.045949 (E_RNA) where: Base-Base interactions energy: -564.867 where: short stacking energy: -231.964 Base-Backbone interact. energy: -1.434 local terms energy: -248.745362 where: bonds (distance) C4'-P energy: -39.862 bonds (distance) P-C4' energy: -47.020 flat angles C4'-P-C4' energy: -66.116 flat angles P-C4'-P energy: -33.068 tors. eta vs tors. theta energy: -62.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -748.082443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.082443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.082443 (E_RNA) where: Base-Base interactions energy: -503.021 where: short stacking energy: -224.330 Base-Backbone interact. energy: -1.182 local terms energy: -243.879221 where: bonds (distance) C4'-P energy: -48.289 bonds (distance) P-C4' energy: -59.577 flat angles C4'-P-C4' energy: -51.883 flat angles P-C4'-P energy: -33.040 tors. eta vs tors. theta energy: -51.090 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: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -647.585702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.585702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.585702 (E_RNA) where: Base-Base interactions energy: -402.434 where: short stacking energy: -203.002 Base-Backbone interact. energy: -1.030 local terms energy: -244.121078 where: bonds (distance) C4'-P energy: -51.511 bonds (distance) P-C4' energy: -46.060 flat angles C4'-P-C4' energy: -59.402 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: -49.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -409.999087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.999087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.999087 (E_RNA) where: Base-Base interactions energy: -241.285 where: short stacking energy: -123.592 Base-Backbone interact. energy: -1.864 local terms energy: -166.849869 where: bonds (distance) C4'-P energy: -46.188 bonds (distance) P-C4' energy: -46.562 flat angles C4'-P-C4' energy: -31.239 flat angles P-C4'-P energy: -37.865 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -373.451350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.451350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.451350 (E_RNA) where: Base-Base interactions energy: -196.597 where: short stacking energy: -98.326 Base-Backbone interact. energy: -2.530 local terms energy: -174.323759 where: bonds (distance) C4'-P energy: -50.804 bonds (distance) P-C4' energy: -55.423 flat angles C4'-P-C4' energy: -31.009 flat angles P-C4'-P energy: -27.557 tors. eta vs tors. theta energy: -9.532 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: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1056.621309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.621309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.621309 (E_RNA) where: Base-Base interactions energy: -732.122 where: short stacking energy: -308.878 Base-Backbone interact. energy: -0.345 local terms energy: -324.155091 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -60.042 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -90.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1042.345858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.345858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.345858 (E_RNA) where: Base-Base interactions energy: -719.133 where: short stacking energy: -325.572 Base-Backbone interact. energy: 0.566 local terms energy: -323.779148 where: bonds (distance) C4'-P energy: -48.029 bonds (distance) P-C4' energy: -63.380 flat angles C4'-P-C4' energy: -69.082 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -94.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1021.296143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.296143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.296143 (E_RNA) where: Base-Base interactions energy: -711.294 where: short stacking energy: -302.210 Base-Backbone interact. energy: 1.282 local terms energy: -311.284101 where: bonds (distance) C4'-P energy: -53.404 bonds (distance) P-C4' energy: -49.714 flat angles C4'-P-C4' energy: -71.187 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -90.006 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: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -945.376269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.376269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.376269 (E_RNA) where: Base-Base interactions energy: -639.893 where: short stacking energy: -287.086 Base-Backbone interact. energy: -1.421 local terms energy: -304.062002 where: bonds (distance) C4'-P energy: -59.578 bonds (distance) P-C4' energy: -54.299 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -40.628 tors. eta vs tors. theta energy: -82.174 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: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -960.467454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.467454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.467454 (E_RNA) where: Base-Base interactions energy: -664.621 where: short stacking energy: -297.705 Base-Backbone interact. energy: -0.972 local terms energy: -294.874345 where: bonds (distance) C4'-P energy: -45.213 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -62.456 flat angles P-C4'-P energy: -42.254 tors. eta vs tors. theta energy: -84.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -807.053553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.053553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.053553 (E_RNA) where: Base-Base interactions energy: -541.730 where: short stacking energy: -231.369 Base-Backbone interact. energy: 0.531 local terms energy: -265.853719 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -57.478 flat angles C4'-P-C4' energy: -56.352 flat angles P-C4'-P energy: -29.708 tors. eta vs tors. theta energy: -56.112 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: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -751.938025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.938025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.938025 (E_RNA) where: Base-Base interactions energy: -505.644 where: short stacking energy: -218.945 Base-Backbone interact. energy: 1.044 local terms energy: -247.338369 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -48.885 flat angles C4'-P-C4' energy: -57.791 flat angles P-C4'-P energy: -36.676 tors. eta vs tors. theta energy: -52.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -649.122152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.122152 (E_RNA) where: Base-Base interactions energy: -421.004 where: short stacking energy: -173.862 Base-Backbone interact. energy: 0.457 local terms energy: -228.575522 where: bonds (distance) C4'-P energy: -54.463 bonds (distance) P-C4' energy: -50.600 flat angles C4'-P-C4' energy: -41.208 flat angles P-C4'-P energy: -38.045 tors. eta vs tors. theta energy: -44.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -448.837043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.837043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.837043 (E_RNA) where: Base-Base interactions energy: -239.382 where: short stacking energy: -125.829 Base-Backbone interact. energy: 2.363 local terms energy: -211.817858 where: bonds (distance) C4'-P energy: -49.682 bonds (distance) P-C4' energy: -62.342 flat angles C4'-P-C4' energy: -49.890 flat angles P-C4'-P energy: -25.470 tors. eta vs tors. theta energy: -24.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -396.469241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.469241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.469241 (E_RNA) where: Base-Base interactions energy: -222.235 where: short stacking energy: -118.706 Base-Backbone interact. energy: -1.179 local terms energy: -173.055298 where: bonds (distance) C4'-P energy: -47.455 bonds (distance) P-C4' energy: -62.209 flat angles C4'-P-C4' energy: -20.421 flat angles P-C4'-P energy: -37.188 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1048.431404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.431404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.431404 (E_RNA) where: Base-Base interactions energy: -735.555 where: short stacking energy: -310.689 Base-Backbone interact. energy: -1.488 local terms energy: -311.388660 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: -83.515 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: 2, replica: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1039.471940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.471940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.471940 (E_RNA) where: Base-Base interactions energy: -722.334 where: short stacking energy: -336.088 Base-Backbone interact. energy: -1.840 local terms energy: -315.298571 where: bonds (distance) C4'-P energy: -45.613 bonds (distance) P-C4' energy: -57.662 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -98.127 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: 9 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1024.886330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.886330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.886330 (E_RNA) where: Base-Base interactions energy: -704.767 where: short stacking energy: -298.422 Base-Backbone interact. energy: -0.902 local terms energy: -319.217853 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -56.040 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -48.369 tors. eta vs tors. theta energy: -91.666 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: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -976.551100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.551100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.551100 (E_RNA) where: Base-Base interactions energy: -677.462 where: short stacking energy: -300.623 Base-Backbone interact. energy: -0.140 local terms energy: -298.949595 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -50.915 flat angles C4'-P-C4' energy: -65.677 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -78.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -939.080277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.080277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.080277 (E_RNA) where: Base-Base interactions energy: -638.318 where: short stacking energy: -271.366 Base-Backbone interact. energy: -1.670 local terms energy: -299.091979 where: bonds (distance) C4'-P energy: -50.803 bonds (distance) P-C4' energy: -54.241 flat angles C4'-P-C4' energy: -57.787 flat angles P-C4'-P energy: -45.910 tors. eta vs tors. theta energy: -90.350 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: 491 Temperature: 1.150000 Total energy: -832.092248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.092248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.092248 (E_RNA) where: Base-Base interactions energy: -568.863 where: short stacking energy: -251.565 Base-Backbone interact. energy: 0.056 local terms energy: -263.284794 where: bonds (distance) C4'-P energy: -52.027 bonds (distance) P-C4' energy: -52.906 flat angles C4'-P-C4' energy: -62.240 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: -57.122 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: 8 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -728.656780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.656780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.656780 (E_RNA) where: Base-Base interactions energy: -479.547 where: short stacking energy: -207.348 Base-Backbone interact. energy: 2.448 local terms energy: -251.557515 where: bonds (distance) C4'-P energy: -61.674 bonds (distance) P-C4' energy: -49.872 flat angles C4'-P-C4' energy: -53.049 flat angles P-C4'-P energy: -38.484 tors. eta vs tors. theta energy: -48.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -684.637219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.637219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.637219 (E_RNA) where: Base-Base interactions energy: -434.913 where: short stacking energy: -187.261 Base-Backbone interact. energy: -1.430 local terms energy: -248.294706 where: bonds (distance) C4'-P energy: -57.273 bonds (distance) P-C4' energy: -53.499 flat angles C4'-P-C4' energy: -61.263 flat angles P-C4'-P energy: -33.075 tors. eta vs tors. theta energy: -43.185 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: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -497.703569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.703569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.703569 (E_RNA) where: Base-Base interactions energy: -275.001 where: short stacking energy: -157.072 Base-Backbone interact. energy: -0.463 local terms energy: -222.239050 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -54.024 flat angles C4'-P-C4' energy: -53.425 flat angles P-C4'-P energy: -28.372 tors. eta vs tors. theta energy: -26.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -405.779235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.779235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.779235 (E_RNA) where: Base-Base interactions energy: -204.509 where: short stacking energy: -130.835 Base-Backbone interact. energy: -1.243 local terms energy: -200.027610 where: bonds (distance) C4'-P energy: -54.141 bonds (distance) P-C4' energy: -46.354 flat angles C4'-P-C4' energy: -43.864 flat angles P-C4'-P energy: -31.119 tors. eta vs tors. theta energy: -24.549 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: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1035.616564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.616564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.616564 (E_RNA) where: Base-Base interactions energy: -729.132 where: short stacking energy: -296.460 Base-Backbone interact. energy: -0.664 local terms energy: -305.819654 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -63.740 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -79.714 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: 492 Temperature: 0.950000 Total energy: -1052.272462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.272462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.272462 (E_RNA) where: Base-Base interactions energy: -736.792 where: short stacking energy: -330.175 Base-Backbone interact. energy: -0.126 local terms energy: -315.353850 where: bonds (distance) C4'-P energy: -61.577 bonds (distance) P-C4' energy: -67.292 flat angles C4'-P-C4' energy: -60.087 flat angles P-C4'-P energy: -26.080 tors. eta vs tors. theta energy: -100.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1030.488846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.488846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.488846 (E_RNA) where: Base-Base interactions energy: -712.439 where: short stacking energy: -302.751 Base-Backbone interact. energy: 0.270 local terms energy: -318.319917 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -65.317 flat angles C4'-P-C4' energy: -61.254 flat angles P-C4'-P energy: -40.414 tors. eta vs tors. theta energy: -91.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -965.018038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.018038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.018038 (E_RNA) where: Base-Base interactions energy: -657.924 where: short stacking energy: -296.863 Base-Backbone interact. energy: 2.596 local terms energy: -309.689496 where: bonds (distance) C4'-P energy: -59.190 bonds (distance) P-C4' energy: -46.527 flat angles C4'-P-C4' energy: -70.958 flat angles P-C4'-P energy: -45.958 tors. eta vs tors. theta energy: -87.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -946.758896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.758896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.758896 (E_RNA) where: Base-Base interactions energy: -652.597 where: short stacking energy: -290.151 Base-Backbone interact. energy: -0.566 local terms energy: -293.596379 where: bonds (distance) C4'-P energy: -65.974 bonds (distance) P-C4' energy: -56.396 flat angles C4'-P-C4' energy: -49.625 flat angles P-C4'-P energy: -31.753 tors. eta vs tors. theta energy: -89.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -822.179305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.179305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.179305 (E_RNA) where: Base-Base interactions energy: -566.007 where: short stacking energy: -241.857 Base-Backbone interact. energy: -1.016 local terms energy: -255.156245 where: bonds (distance) C4'-P energy: -47.183 bonds (distance) P-C4' energy: -48.018 flat angles C4'-P-C4' energy: -56.028 flat angles P-C4'-P energy: -42.433 tors. eta vs tors. theta energy: -61.494 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: 7, replica: 8 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -728.758274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.758274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.758274 (E_RNA) where: Base-Base interactions energy: -505.706 where: short stacking energy: -212.763 Base-Backbone interact. energy: -1.033 local terms energy: -222.018779 where: bonds (distance) C4'-P energy: -45.323 bonds (distance) P-C4' energy: -59.581 flat angles C4'-P-C4' energy: -46.368 flat angles P-C4'-P energy: -19.251 tors. eta vs tors. theta energy: -51.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -661.573522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.573522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.573522 (E_RNA) where: Base-Base interactions energy: -436.280 where: short stacking energy: -205.192 Base-Backbone interact. energy: 2.578 local terms energy: -227.871456 where: bonds (distance) C4'-P energy: -39.463 bonds (distance) P-C4' energy: -56.858 flat angles C4'-P-C4' energy: -56.974 flat angles P-C4'-P energy: -25.329 tors. eta vs tors. theta energy: -49.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -457.805685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.805685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.805685 (E_RNA) where: Base-Base interactions energy: -252.836 where: short stacking energy: -119.706 Base-Backbone interact. energy: -0.286 local terms energy: -204.683620 where: bonds (distance) C4'-P energy: -46.784 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -55.777 flat angles P-C4'-P energy: -27.920 tors. eta vs tors. theta energy: -10.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -379.373026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.373026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.373026 (E_RNA) where: Base-Base interactions energy: -200.814 where: short stacking energy: -112.517 Base-Backbone interact. energy: 1.255 local terms energy: -179.814851 where: bonds (distance) C4'-P energy: -53.369 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -37.591 flat angles P-C4'-P energy: -29.651 tors. eta vs tors. theta energy: -6.302 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: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1048.003475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.003475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.003475 (E_RNA) where: Base-Base interactions energy: -716.401 where: short stacking energy: -310.293 Base-Backbone interact. energy: -0.624 local terms energy: -330.978478 where: bonds (distance) C4'-P energy: -53.420 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -72.328 flat angles P-C4'-P energy: -49.352 tors. eta vs tors. theta energy: -87.464 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: 493 Temperature: 0.950000 Total energy: -1050.675677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.675677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.675677 (E_RNA) where: Base-Base interactions energy: -716.068 where: short stacking energy: -314.113 Base-Backbone interact. energy: -0.260 local terms energy: -334.347518 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -52.901 tors. eta vs tors. theta energy: -96.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1033.761320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.761320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.761320 (E_RNA) where: Base-Base interactions energy: -723.011 where: short stacking energy: -330.282 Base-Backbone interact. energy: -0.313 local terms energy: -310.436763 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -50.051 flat angles C4'-P-C4' energy: -66.449 flat angles P-C4'-P energy: -41.004 tors. eta vs tors. theta energy: -94.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -939.789771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.789771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.789771 (E_RNA) where: Base-Base interactions energy: -640.675 where: short stacking energy: -289.511 Base-Backbone interact. energy: -0.919 local terms energy: -298.195763 where: bonds (distance) C4'-P energy: -52.850 bonds (distance) P-C4' energy: -59.606 flat angles C4'-P-C4' energy: -60.225 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -86.285 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: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -920.551588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.551588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.551588 (E_RNA) where: Base-Base interactions energy: -633.361 where: short stacking energy: -273.049 Base-Backbone interact. energy: 3.392 local terms energy: -290.582511 where: bonds (distance) C4'-P energy: -59.648 bonds (distance) P-C4' energy: -47.714 flat angles C4'-P-C4' energy: -59.228 flat angles P-C4'-P energy: -43.613 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: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -789.693386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.693386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.693386 (E_RNA) where: Base-Base interactions energy: -533.846 where: short stacking energy: -223.383 Base-Backbone interact. energy: -0.525 local terms energy: -255.322086 where: bonds (distance) C4'-P energy: -53.139 bonds (distance) P-C4' energy: -47.900 flat angles C4'-P-C4' energy: -57.540 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -58.903 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: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -698.144696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.144696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.144696 (E_RNA) where: Base-Base interactions energy: -473.856 where: short stacking energy: -197.732 Base-Backbone interact. energy: -2.152 local terms energy: -222.136299 where: bonds (distance) C4'-P energy: -49.529 bonds (distance) P-C4' energy: -50.590 flat angles C4'-P-C4' energy: -56.265 flat angles P-C4'-P energy: -29.268 tors. eta vs tors. theta energy: -36.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -675.751416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.751416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.751416 (E_RNA) where: Base-Base interactions energy: -434.390 where: short stacking energy: -201.602 Base-Backbone interact. energy: -0.661 local terms energy: -240.700787 where: bonds (distance) C4'-P energy: -54.610 bonds (distance) P-C4' energy: -40.685 flat angles C4'-P-C4' energy: -52.499 flat angles P-C4'-P energy: -43.070 tors. eta vs tors. theta energy: -49.836 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: 1 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -418.041076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.041076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.041076 (E_RNA) where: Base-Base interactions energy: -237.242 where: short stacking energy: -118.396 Base-Backbone interact. energy: -1.191 local terms energy: -179.607886 where: bonds (distance) C4'-P energy: -45.527 bonds (distance) P-C4' energy: -59.084 flat angles C4'-P-C4' energy: -41.837 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: 2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -391.513285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.513285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.513285 (E_RNA) where: Base-Base interactions energy: -198.134 where: short stacking energy: -113.681 Base-Backbone interact. energy: -0.498 local terms energy: -192.882046 where: bonds (distance) C4'-P energy: -44.951 bonds (distance) P-C4' energy: -48.396 flat angles C4'-P-C4' energy: -51.977 flat angles P-C4'-P energy: -29.191 tors. eta vs tors. theta energy: -18.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1047.618093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.618093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.618093 (E_RNA) where: Base-Base interactions energy: -729.408 where: short stacking energy: -316.020 Base-Backbone interact. energy: -1.529 local terms energy: -316.680760 where: bonds (distance) C4'-P energy: -60.155 bonds (distance) P-C4' energy: -59.011 flat angles C4'-P-C4' energy: -68.201 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -83.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1049.500012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.500012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.500012 (E_RNA) where: Base-Base interactions energy: -728.260 where: short stacking energy: -307.986 Base-Backbone interact. energy: 0.929 local terms energy: -322.168905 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -55.090 flat angles C4'-P-C4' energy: -66.571 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -93.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1046.911974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.911974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.911974 (E_RNA) where: Base-Base interactions energy: -735.593 where: short stacking energy: -329.755 Base-Backbone interact. energy: -0.591 local terms energy: -310.727390 where: bonds (distance) C4'-P energy: -52.667 bonds (distance) P-C4' energy: -52.021 flat angles C4'-P-C4' energy: -58.431 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -100.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -962.567968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.567968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.567968 (E_RNA) where: Base-Base interactions energy: -665.609 where: short stacking energy: -299.748 Base-Backbone interact. energy: -1.702 local terms energy: -295.256547 where: bonds (distance) C4'-P energy: -47.720 bonds (distance) P-C4' energy: -51.781 flat angles C4'-P-C4' energy: -68.345 flat angles P-C4'-P energy: -38.393 tors. eta vs tors. theta energy: -89.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -922.186962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.186962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.186962 (E_RNA) where: Base-Base interactions energy: -647.524 where: short stacking energy: -280.273 Base-Backbone interact. energy: -0.062 local terms energy: -274.600596 where: bonds (distance) C4'-P energy: -34.204 bonds (distance) P-C4' energy: -56.565 flat angles C4'-P-C4' energy: -66.565 flat angles P-C4'-P energy: -42.587 tors. eta vs tors. theta energy: -74.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -792.048299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.048299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.048299 (E_RNA) where: Base-Base interactions energy: -547.742 where: short stacking energy: -229.388 Base-Backbone interact. energy: -0.924 local terms energy: -243.382410 where: bonds (distance) C4'-P energy: -49.839 bonds (distance) P-C4' energy: -60.646 flat angles C4'-P-C4' energy: -55.496 flat angles P-C4'-P energy: -15.939 tors. eta vs tors. theta energy: -61.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -741.792989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.792989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.792989 (E_RNA) where: Base-Base interactions energy: -510.577 where: short stacking energy: -207.971 Base-Backbone interact. energy: 2.802 local terms energy: -234.017039 where: bonds (distance) C4'-P energy: -44.412 bonds (distance) P-C4' energy: -52.834 flat angles C4'-P-C4' energy: -52.949 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -40.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -653.450457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.450457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.450457 (E_RNA) where: Base-Base interactions energy: -425.317 where: short stacking energy: -188.764 Base-Backbone interact. energy: -0.185 local terms energy: -227.947913 where: bonds (distance) C4'-P energy: -47.008 bonds (distance) P-C4' energy: -51.396 flat angles C4'-P-C4' energy: -48.979 flat angles P-C4'-P energy: -32.537 tors. eta vs tors. theta energy: -48.027 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: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -416.246582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.246582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.246582 (E_RNA) where: Base-Base interactions energy: -231.287 where: short stacking energy: -129.649 Base-Backbone interact. energy: 0.900 local terms energy: -185.859490 where: bonds (distance) C4'-P energy: -34.314 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -48.144 flat angles P-C4'-P energy: -32.892 tors. eta vs tors. theta energy: -14.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -364.049955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.049955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.049955 (E_RNA) where: Base-Base interactions energy: -179.259 where: short stacking energy: -91.883 Base-Backbone interact. energy: -1.423 local terms energy: -183.368446 where: bonds (distance) C4'-P energy: -48.927 bonds (distance) P-C4' energy: -53.111 flat angles C4'-P-C4' energy: -45.119 flat angles P-C4'-P energy: -31.144 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1055.301597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.301597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.301597 (E_RNA) where: Base-Base interactions energy: -742.483 where: short stacking energy: -323.384 Base-Backbone interact. energy: -1.472 local terms energy: -311.347064 where: bonds (distance) C4'-P energy: -57.491 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -58.714 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -90.116 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: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1052.997993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.997993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.997993 (E_RNA) where: Base-Base interactions energy: -738.933 where: short stacking energy: -321.845 Base-Backbone interact. energy: -1.117 local terms energy: -312.947700 where: bonds (distance) C4'-P energy: -61.689 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -56.643 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -89.576 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: 495 Temperature: 1.000000 Total energy: -1015.721376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.721376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.721376 (E_RNA) where: Base-Base interactions energy: -695.348 where: short stacking energy: -300.993 Base-Backbone interact. energy: 0.521 local terms energy: -320.894244 where: bonds (distance) C4'-P energy: -54.522 bonds (distance) P-C4' energy: -55.760 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -99.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -952.803804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.803804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.803804 (E_RNA) where: Base-Base interactions energy: -658.891 where: short stacking energy: -281.515 Base-Backbone interact. energy: -1.677 local terms energy: -292.235983 where: bonds (distance) C4'-P energy: -55.842 bonds (distance) P-C4' energy: -50.654 flat angles C4'-P-C4' energy: -60.753 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -82.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -897.820812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.820812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.820812 (E_RNA) where: Base-Base interactions energy: -614.375 where: short stacking energy: -267.898 Base-Backbone interact. energy: -0.174 local terms energy: -283.272257 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -52.257 flat angles C4'-P-C4' energy: -54.813 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -81.709 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: 495 Temperature: 1.150000 Total energy: -796.250864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.250864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.250864 (E_RNA) where: Base-Base interactions energy: -536.473 where: short stacking energy: -242.269 Base-Backbone interact. energy: -1.347 local terms energy: -258.431501 where: bonds (distance) C4'-P energy: -31.239 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -57.766 flat angles P-C4'-P energy: -46.237 tors. eta vs tors. theta energy: -63.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -740.074830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.074830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.074830 (E_RNA) where: Base-Base interactions energy: -529.655 where: short stacking energy: -229.729 Base-Backbone interact. energy: -1.673 local terms energy: -208.747262 where: bonds (distance) C4'-P energy: -37.646 bonds (distance) P-C4' energy: -37.058 flat angles C4'-P-C4' energy: -51.034 flat angles P-C4'-P energy: -41.056 tors. eta vs tors. theta energy: -41.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -623.615280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.615280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.615280 (E_RNA) where: Base-Base interactions energy: -392.360 where: short stacking energy: -170.445 Base-Backbone interact. energy: -0.026 local terms energy: -231.229471 where: bonds (distance) C4'-P energy: -54.281 bonds (distance) P-C4' energy: -39.148 flat angles C4'-P-C4' energy: -63.839 flat angles P-C4'-P energy: -36.744 tors. eta vs tors. theta energy: -37.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -445.830527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.830527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.830527 (E_RNA) where: Base-Base interactions energy: -250.939 where: short stacking energy: -116.167 Base-Backbone interact. energy: -1.834 local terms energy: -193.057566 where: bonds (distance) C4'-P energy: -42.711 bonds (distance) P-C4' energy: -51.302 flat angles C4'-P-C4' energy: -50.752 flat angles P-C4'-P energy: -29.909 tors. eta vs tors. theta energy: -18.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -313.085117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.085117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.085117 (E_RNA) where: Base-Base interactions energy: -148.590 where: short stacking energy: -107.581 Base-Backbone interact. energy: 1.360 local terms energy: -165.855802 where: bonds (distance) C4'-P energy: -38.750 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -47.846 flat angles P-C4'-P energy: -17.093 tors. eta vs tors. theta energy: -10.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1071.779790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.779790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.779790 (E_RNA) where: Base-Base interactions energy: -744.916 where: short stacking energy: -336.628 Base-Backbone interact. energy: -0.734 local terms energy: -326.130011 where: bonds (distance) C4'-P energy: -60.093 bonds (distance) P-C4' energy: -54.441 flat angles C4'-P-C4' energy: -65.733 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -98.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1018.936963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.936963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.936963 (E_RNA) where: Base-Base interactions energy: -711.801 where: short stacking energy: -316.395 Base-Backbone interact. energy: 0.635 local terms energy: -307.770106 where: bonds (distance) C4'-P energy: -57.243 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -60.077 flat angles P-C4'-P energy: -38.916 tors. eta vs tors. theta energy: -91.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1010.377184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.377184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.377184 (E_RNA) where: Base-Base interactions energy: -698.843 where: short stacking energy: -305.336 Base-Backbone interact. energy: -0.581 local terms energy: -310.953711 where: bonds (distance) C4'-P energy: -55.599 bonds (distance) P-C4' energy: -45.495 flat angles C4'-P-C4' energy: -67.502 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -94.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -973.834966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.834966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.834966 (E_RNA) where: Base-Base interactions energy: -658.876 where: short stacking energy: -291.739 Base-Backbone interact. energy: -1.467 local terms energy: -313.492309 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -49.919 flat angles C4'-P-C4' energy: -62.767 flat angles P-C4'-P energy: -49.696 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: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -932.542271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.542271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.542271 (E_RNA) where: Base-Base interactions energy: -640.609 where: short stacking energy: -300.555 Base-Backbone interact. energy: -1.001 local terms energy: -290.932225 where: bonds (distance) C4'-P energy: -51.779 bonds (distance) P-C4' energy: -58.675 flat angles C4'-P-C4' energy: -60.501 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -84.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -802.988434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.988434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.988434 (E_RNA) where: Base-Base interactions energy: -549.887 where: short stacking energy: -231.316 Base-Backbone interact. energy: 0.382 local terms energy: -253.483531 where: bonds (distance) C4'-P energy: -34.544 bonds (distance) P-C4' energy: -55.241 flat angles C4'-P-C4' energy: -63.810 flat angles P-C4'-P energy: -31.866 tors. eta vs tors. theta energy: -68.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -734.687241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.687241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.687241 (E_RNA) where: Base-Base interactions energy: -514.764 where: short stacking energy: -226.719 Base-Backbone interact. energy: -1.348 local terms energy: -218.574904 where: bonds (distance) C4'-P energy: -54.173 bonds (distance) P-C4' energy: -32.310 flat angles C4'-P-C4' energy: -61.116 flat angles P-C4'-P energy: -28.081 tors. eta vs tors. theta energy: -42.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -677.503287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.503287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.503287 (E_RNA) where: Base-Base interactions energy: -453.897 where: short stacking energy: -215.704 Base-Backbone interact. energy: 0.022 local terms energy: -223.628479 where: bonds (distance) C4'-P energy: -52.411 bonds (distance) P-C4' energy: -42.483 flat angles C4'-P-C4' energy: -53.745 flat angles P-C4'-P energy: -18.847 tors. eta vs tors. theta energy: -56.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -445.020184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.020184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.020184 (E_RNA) where: Base-Base interactions energy: -272.203 where: short stacking energy: -152.249 Base-Backbone interact. energy: 0.067 local terms energy: -172.884675 where: bonds (distance) C4'-P energy: -48.097 bonds (distance) P-C4' energy: -35.808 flat angles C4'-P-C4' energy: -49.544 flat angles P-C4'-P energy: -24.129 tors. eta vs tors. theta energy: -15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -256.828634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.828634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.828634 (E_RNA) where: Base-Base interactions energy: -101.493 where: short stacking energy: -84.566 Base-Backbone interact. energy: 4.125 local terms energy: -159.460706 where: bonds (distance) C4'-P energy: -43.793 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -34.742 flat angles P-C4'-P energy: -16.318 tors. eta vs tors. theta energy: -3.471 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) out arg RESULTS//1/MIFmRNA5UTR-3870025b_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1084.436570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.436570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.436570 (E_RNA) where: Base-Base interactions energy: -742.911 where: short stacking energy: -321.857 Base-Backbone interact. energy: -1.500 local terms energy: -340.025483 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -59.363 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: -99.440 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: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1018.809221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.809221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.809221 (E_RNA) where: Base-Base interactions energy: -720.748 where: short stacking energy: -305.207 Base-Backbone interact. energy: 0.634 local terms energy: -298.695750 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -57.810 flat angles C4'-P-C4' energy: -62.173 flat angles P-C4'-P energy: -42.004 tors. eta vs tors. theta energy: -78.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -996.477301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.477301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.477301 (E_RNA) where: Base-Base interactions energy: -682.667 where: short stacking energy: -300.935 Base-Backbone interact. energy: -1.123 local terms energy: -312.687091 where: bonds (distance) C4'-P energy: -58.013 bonds (distance) P-C4' energy: -50.038 flat angles C4'-P-C4' energy: -61.316 flat angles P-C4'-P energy: -52.536 tors. eta vs tors. theta energy: -90.784 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: -931.160811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.160811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.160811 (E_RNA) where: Base-Base interactions energy: -639.024 where: short stacking energy: -305.549 Base-Backbone interact. energy: -0.771 local terms energy: -291.365867 where: bonds (distance) C4'-P energy: -52.944 bonds (distance) P-C4' energy: -55.019 flat angles C4'-P-C4' energy: -55.363 flat angles P-C4'-P energy: -42.463 tors. eta vs tors. theta energy: -85.576 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: 497 Temperature: 1.100000 Total energy: -953.253985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.253985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.253985 (E_RNA) where: Base-Base interactions energy: -651.881 where: short stacking energy: -274.157 Base-Backbone interact. energy: 0.007 local terms energy: -301.379704 where: bonds (distance) C4'-P energy: -53.962 bonds (distance) P-C4' energy: -63.480 flat angles C4'-P-C4' energy: -66.047 flat angles P-C4'-P energy: -37.503 tors. eta vs tors. theta energy: -80.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -818.435472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.435472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.435472 (E_RNA) where: Base-Base interactions energy: -557.888 where: short stacking energy: -265.404 Base-Backbone interact. energy: -0.547 local terms energy: -259.999916 where: bonds (distance) C4'-P energy: -42.695 bonds (distance) P-C4' energy: -52.787 flat angles C4'-P-C4' energy: -54.773 flat angles P-C4'-P energy: -38.131 tors. eta vs tors. theta energy: -71.613 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: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -748.123871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.123871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.123871 (E_RNA) where: Base-Base interactions energy: -496.295 where: short stacking energy: -218.591 Base-Backbone interact. energy: -1.010 local terms energy: -250.817978 where: bonds (distance) C4'-P energy: -52.651 bonds (distance) P-C4' energy: -56.884 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -32.195 tors. eta vs tors. theta energy: -51.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -681.494216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.494216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.494216 (E_RNA) where: Base-Base interactions energy: -464.377 where: short stacking energy: -196.010 Base-Backbone interact. energy: -1.178 local terms energy: -215.938879 where: bonds (distance) C4'-P energy: -43.809 bonds (distance) P-C4' energy: -50.890 flat angles C4'-P-C4' energy: -49.613 flat angles P-C4'-P energy: -30.284 tors. eta vs tors. theta energy: -41.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -426.415968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.415968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.415968 (E_RNA) where: Base-Base interactions energy: -224.211 where: short stacking energy: -122.213 Base-Backbone interact. energy: -1.057 local terms energy: -201.148161 where: bonds (distance) C4'-P energy: -51.699 bonds (distance) P-C4' energy: -56.360 flat angles C4'-P-C4' energy: -52.966 flat angles P-C4'-P energy: -23.792 tors. eta vs tors. theta energy: -16.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -269.972922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.972922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.972922 (E_RNA) where: Base-Base interactions energy: -103.841 where: short stacking energy: -77.737 Base-Backbone interact. energy: 0.297 local terms energy: -166.428698 where: bonds (distance) C4'-P energy: -45.038 bonds (distance) P-C4' energy: -46.573 flat angles C4'-P-C4' energy: -45.647 flat angles P-C4'-P energy: -35.448 tors. eta vs tors. theta energy: 6.276 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)